/**
Function to calculate the reference chemical potential of solid-solutions
Holland et al., 2018 - Melting of peridotites through to granites
Igneous dataset to use with tc-ds633.txt
"bi","cpx","cd","ep","fl","g","hb","ilm","liq","mu", "ol", "opx","fsp","spn"
*/
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include <time.h>
#include <string.h>
#include <complex.h>
#include "MAGEMin.h"
#include "gem_function.h"
#include "gss_function.h"
#include "NLopt_opt_function.h"
#include "simplex_levelling.h"
#include "toolkit.h"
// #include "gfs_function.h"
/**
structure to transfer composition, oversized on purpose to accomodate for database with higher oxide number
*/
typedef struct get_datas{
} get_data; void init_data(int len_ox, void *comp_array ){
get_data *d = (get_data *) comp_array;
for (int i = 0; i < len_ox; i++){
d->comp[i] = 0.0;
}
}
void init_pp(int len_ox, void *PP_db ){
PP_ref *d = (PP_ref *) PP_db;
for (int i = 0; i < len_ox; i++){
d->Comp[i] = 0.0;
}
}
[docs]/**
function to easely get gb and comp in order to define solid solutions
*/
em_data get_em_data( int EM_database,
int len_ox,
bulk_info z_b,
double P,
double T,
char *name,
char *state ){
em_data data;
PP_ref PP_db = G_EM_function(EM_database, len_ox, z_b.id, z_b.bulk_rock, z_b.apo, P, T, name, state);
data.ElShearMod = PP_db.phase_shearModulus;
data.gb = PP_db.gbase;
for (int i = 0; i < len_ox; i++){
data.C[i] = PP_db.Comp[i];
}
return data;
}
em_data get_fs_data( int len_ox,
bulk_info z_b,
solvent_prop *wat,
double P,
double T,
char *name,
char *state ){
em_data data;
PP_ref PP_db = G_FS_function( len_ox,
wat,
z_b.id,
z_b.bulk_rock,
z_b.ElEntropy,
z_b.apo,
P,
T,
name,
state );
data.ElShearMod = PP_db.phase_shearModulus;
data.gb = PP_db.gbase;
data.charge = PP_db.charge;
for (int i = 0; i < len_ox; i++){
data.C[i] = PP_db.Comp[i];
}
return data;
}
/**************************************************************************************/
/* Import text file extracted from Miron et al. (2017) database: */
/* aq17-thermofun.json from db.thermohub.org, v. 17.07.2021 16:49:29 */
/*-------------------------------------------------------------------------- */
/* Miron, G. D., Wagner, T., Kulik, D. A., & Lothenbach, B. (2017). An */
/* internally consistent thermodynamic dataset for aqueous species in the */
/* system Ca-Mg-Na-K-Al-Si-OHC-Cl to 800 C and 5 kbar. American Journal */
/* of Science, 317(7), 755-806. */
/* DOI: https://doi.org/10.2475/07.2017.01 */
[docs]/**************************************************************************************/
SS_ref G_SS_aq17_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
double eps2 = 1e-15;
// char *EM_tmp[] = {"H2O","Al(OH)2+", "Al(OH)3@", "Al(OH)4-", "Al+3", "AlH3SiO4+2", "AlOH+2", "CO3-2", "CO@", "Ca+2", "CaCO3@", "CaCl+", "CaCl2@", "CaHCO3+", "CaHSiO3+", "CaOH+", "CaSiO3@", "Cl-", "HCO3-", "HCl@", "HSiO3-", "K+", "KAlO2@", "KCO3-", "KCl@", "KHCO3@", "KOH@", "Mg+2", "MgCO3@", "MgCl+", "MgCl2@", "MgHCO3+", "MgHSiO3+", "MgOH+", "MgSiO3@", "Na+", "NaAl(OH)4@", "NaCO3-", "NaCl@", "NaHCO3@", "NaHSiO3@", "NaOH@", "OH-", "SiO2@"};
char *EM_tmp[] = {"H2O","Al(OH)2+", "Al(OH)3@", "Al(OH)4-", "Al+3", "AlH3SiO4+2", "AlOH+2", "Ca+2", "CaHSiO3+", "CaOH+", "CaSiO3@", "HSiO3-", "K+", "KAlO2@", "KOH@", "Mg+2", "MgHSiO3+", "MgOH+", "MgSiO3@", "Na+", "NaAl(OH)4@", "NaHSiO3@", "NaOH@", "OH-", "SiO2@"};
for (int i = 0; i < n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
solvent_prop wat;
rho_wat_calc( &wat,
SS_ref_db.P*1000.0,
SS_ref_db.T,
"WP" );
char solventOpt[] = {"JN91"};
if (strcmp( solventOpt, "JN91") == 0){
propSolvent_JN91_calc( &wat,
SS_ref_db.T );
}
else if (strcmp( solventOpt, "FE97") == 0){
propSolvent_FE97_calc( &wat,
SS_ref_db.P*1000.0,
SS_ref_db.T );
}
else if (strcmp( solventOpt, "SV14") == 0){
propSolvent_SV14_calc( &wat,
SS_ref_db.P*1000.0,
SS_ref_db.T );
}
SS_ref_db.densityW = wat.density;
SS_ref_db.g = wat.g;
SS_ref_db.Z = wat.Z;
SS_ref_db.epsilon = wat.epsilon;
em_data species;
species = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"H2O",
"equilibrium" );
SS_ref_db.gbase[0] = species.gb;
SS_ref_db.z_em[0] = 1.0;
SS_ref_db.ElShearMod[0] = 0.0;
SS_ref_db.bounds_ref[0][0] = 0.0+eps2; SS_ref_db.bounds_ref[0][1] = 1.0-eps2;
SS_ref_db.mat_phi[0] = 0.0; //serve to store charge here
for (j = 0; j < len_ox; j++){
SS_ref_db.Comp[0][j] = species.C[j];
}
/* start at 1, as 0 is water */
for (i = 1; i < n_em; i++){
species = get_fs_data( len_ox,
z_b,
&wat,
SS_ref_db.P,
SS_ref_db.T,
SS_ref_db.EM_list[i],
"equilibrium" );
SS_ref_db.gbase[i] = species.gb;
SS_ref_db.z_em[i] = 1.0;
SS_ref_db.ElShearMod[i] = 0.0;
SS_ref_db.bounds_ref[i][0] = 0.0+eps2; SS_ref_db.bounds_ref[i][1] = 1.0-eps2;
SS_ref_db.mat_phi[i] = species.charge; //serves to store charge here
for (j = 0; j < len_ox; j++){
SS_ref_db.Comp[i][j] = species.C[j];
}
};
/* copy molar elemental entropy */
for(int i = 0; i < len_ox; i++){
SS_ref_db.ElEntropy[i] = z_b.ElEntropy[i];
}
SS_ref_db.len_ox = len_ox;
// if (z_b.bulk_rock[10] == 0.){
// SS_ref_db.z_em[14] = 0.0;
// SS_ref_db.bounds_ref[9][0] = eps;
// SS_ref_db.bounds_ref[9][1] = eps;
// }
// if (z_b.bulk_rock[9] == 0.){
// SS_ref_db.z_em[7] = 0.0;
// SS_ref_db.d_em[7] = 1.0;
// SS_ref_db.bounds_ref[6][0] = 0.0;
// SS_ref_db.bounds_ref[6][1] = 0.0;
// }
// if (z_b.bulk_rock[8] == 0.){
// SS_ref_db.z_em[6] = 0.0;
// SS_ref_db.d_em[6] = 1.0;
// SS_ref_db.bounds_ref[5][0] = 0.0;
// SS_ref_db.bounds_ref[5][1] = 0.0;
// }
return SS_ref_db;
}
/**************************************************************************************/
/**************************************************************************************/
/**********************METABASITE DATABASE (Gree et al., 2016)*************************/
/**************************************************************************************/
/**************************************************************************************/
[docs]/**
retrieve reference thermodynamic data for mb_liq
*/
SS_ref G_SS_mb_liq_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"q4L","abL","kspL","wo1L","sl1L","fa2L","fo2L","watL","anoL"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"q","fsp","na","wo","sil","ol","x","yan"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 12.0 - 0.4*SS_ref_db.P;
SS_ref_db.W[1] = -0.5*SS_ref_db.P - 2.0;
SS_ref_db.W[2] = -5.00;
SS_ref_db.W[3] = 0.0;
SS_ref_db.W[4] = 0.0;
SS_ref_db.W[5] = SS_ref_db.P + 42.0;
SS_ref_db.W[6] = 18.1 - 0.68*SS_ref_db.P;
SS_ref_db.W[7] = -0.1*SS_ref_db.P - 29.5;
SS_ref_db.W[8] = 3.0*SS_ref_db.P - 6.0;
SS_ref_db.W[9] = -12.0;
SS_ref_db.W[10] = 10.0;
SS_ref_db.W[11] = 0.8*SS_ref_db.P - 30.0;
SS_ref_db.W[12] = 0.3*SS_ref_db.P - 47.3;
SS_ref_db.W[13] = -0.17*SS_ref_db.P - 4.4;
SS_ref_db.W[14] = 0.4*SS_ref_db.P + 8.6;
SS_ref_db.W[15] = -13.0;
SS_ref_db.W[16] = 0.0;
SS_ref_db.W[17] = -11.3;
SS_ref_db.W[18] = 6.80;
SS_ref_db.W[19] = 10.4 - 0.39*SS_ref_db.P;
SS_ref_db.W[20] = -0.25*SS_ref_db.P - 16.0;
SS_ref_db.W[21] = -1.60;
SS_ref_db.W[22] = 6.50;
SS_ref_db.W[23] = 4.00;
SS_ref_db.W[24] = 21.0;
SS_ref_db.W[25] = 3.50;
SS_ref_db.W[26] = 12.0;
SS_ref_db.W[27] = 12.0;
SS_ref_db.W[28] = 11.0 - 0.5*SS_ref_db.P;
SS_ref_db.W[29] = 6.40;
SS_ref_db.W[30] = 18.0;
SS_ref_db.W[31] = 29.0;
SS_ref_db.W[32] = -0.95*SS_ref_db.P - 43.5;
SS_ref_db.W[33] = 29.0 - 0.5*SS_ref_db.P;
SS_ref_db.W[34] = -0.6*SS_ref_db.P - 26.0;
SS_ref_db.W[35] = 9.75 - 0.5*SS_ref_db.P;
em_data qL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"qL",
"equilibrium" );
em_data abL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"abL",
"equilibrium" );
em_data kspL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"kspL",
"equilibrium" );
em_data woL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"woL",
"equilibrium" );
em_data silL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"silL",
"equilibrium" );
em_data faL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"faL",
"equilibrium" );
em_data foL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"foL",
"equilibrium" );
em_data watL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"h2oL",
"equilibrium" );
SS_ref_db.gbase[0] = 4.0*qL_eq.gb;
SS_ref_db.gbase[1] = abL_eq.gb;
SS_ref_db.gbase[2] = kspL_eq.gb;
SS_ref_db.gbase[3] = woL_eq.gb + 1.3;
SS_ref_db.gbase[4] = silL_eq.gb - 7.8;
SS_ref_db.gbase[5] = -1.4*z_b.P + 2.0*faL_eq.gb - 8.2;
SS_ref_db.gbase[6] = 2.0*foL_eq.gb - 4.0;
SS_ref_db.gbase[7] = watL_eq.gb;
SS_ref_db.gbase[8] = -0.25*z_b.P + silL_eq.gb + woL_eq.gb - 46.5;
SS_ref_db.ElShearMod[0] = qL_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = abL_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = kspL_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = woL_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = silL_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 2.0*faL_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 2.0*foL_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = watL_eq.ElShearMod;
SS_ref_db.ElShearMod[8] = silL_eq.ElShearMod + woL_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = 4.0*qL_eq.C[i];
SS_ref_db.Comp[1][i] = abL_eq.C[i];
SS_ref_db.Comp[2][i] = kspL_eq.C[i];
SS_ref_db.Comp[3][i] = woL_eq.C[i];
SS_ref_db.Comp[4][i] = silL_eq.C[i];
SS_ref_db.Comp[5][i] = 2.0*faL_eq.C[i];
SS_ref_db.Comp[6][i] = 2.0*foL_eq.C[i];
SS_ref_db.Comp[7][i] = watL_eq.C[i];
SS_ref_db.Comp[8][i] = silL_eq.C[i] + woL_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
SS_ref_db.bounds_ref[7][0] = 0.0+eps; SS_ref_db.bounds_ref[7][1] = 1.0-eps;
// if (z_b.bulk_rock[9] == 0.){
// SS_ref_db.z_em[7] = 0.0;
// SS_ref_db.bounds_ref[9][0] = eps;
// SS_ref_db.bounds_ref[9][1] = eps;
// }
// if (z_b.bulk_rock[9] == 0.){
// SS_ref_db.z_em[7] = 0.0;
// SS_ref_db.d_em[7] = 1.0;
// SS_ref_db.bounds_ref[6][0] = 0.0;
// SS_ref_db.bounds_ref[6][1] = 0.0;
// }
// if (z_b.bulk_rock[8] == 0.){
// SS_ref_db.z_em[6] = 0.0;
// SS_ref_db.d_em[6] = 1.0;
// SS_ref_db.bounds_ref[5][0] = 0.0;
// SS_ref_db.bounds_ref[5][1] = 0.0;
// }
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_hb
*/
SS_ref G_SS_mb_hb_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"tr","tsm","prgm","glm","cumm","grnm","a","b","mrb","kprg","tts"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","z","a","k","c","f","t","Q1","Q2"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 20.0;
SS_ref_db.W[1] = 25.0;
SS_ref_db.W[2] = 65.0;
SS_ref_db.W[3] = 45.0;
SS_ref_db.W[4] = 75.0;
SS_ref_db.W[5] = 57.0;
SS_ref_db.W[6] = 63.0;
SS_ref_db.W[7] = 52.0;
SS_ref_db.W[8] = 30.0;
SS_ref_db.W[9] = 85.0;
SS_ref_db.W[10] = -40.0;
SS_ref_db.W[11] = 25.0;
SS_ref_db.W[12] = 70.0;
SS_ref_db.W[13] = 80.0;
SS_ref_db.W[14] = 70.0;
SS_ref_db.W[15] = 72.5;
SS_ref_db.W[16] = 20.0;
SS_ref_db.W[17] = -40.0;
SS_ref_db.W[18] = 35.0;
SS_ref_db.W[19] = 50.0;
SS_ref_db.W[20] = 90.0;
SS_ref_db.W[21] = 106.700000000000;
SS_ref_db.W[22] = 94.8;
SS_ref_db.W[23] = 94.8;
SS_ref_db.W[24] = 40.0;
SS_ref_db.W[25] = 8.00;
SS_ref_db.W[26] = 15.0;
SS_ref_db.W[27] = 100.;
SS_ref_db.W[28] = 113.500000000000;
SS_ref_db.W[29] = 100.;
SS_ref_db.W[30] = 111.200000000000;
SS_ref_db.W[31] = 0.0;
SS_ref_db.W[32] = 54.0;
SS_ref_db.W[33] = 75.0;
SS_ref_db.W[34] = 33.0;
SS_ref_db.W[35] = 18.0;
SS_ref_db.W[36] = 23.0;
SS_ref_db.W[37] = 80.0;
SS_ref_db.W[38] = 87.0;
SS_ref_db.W[39] = 100.;
SS_ref_db.W[40] = 12.0;
SS_ref_db.W[41] = 8.00;
SS_ref_db.W[42] = 91.0;
SS_ref_db.W[43] = 96.0;
SS_ref_db.W[44] = 65.0;
SS_ref_db.W[45] = 20.0;
SS_ref_db.W[46] = 80.0;
SS_ref_db.W[47] = 94.0;
SS_ref_db.W[48] = 95.0;
SS_ref_db.W[49] = 90.0;
SS_ref_db.W[50] = 94.0;
SS_ref_db.W[51] = 95.0;
SS_ref_db.W[52] = 50.0;
SS_ref_db.W[53] = 50.0;
SS_ref_db.W[54] = 35.0;
SS_ref_db.v[0] = 1.00;
SS_ref_db.v[1] = 1.50;
SS_ref_db.v[2] = 1.70;
SS_ref_db.v[3] = 0.800;
SS_ref_db.v[4] = 1.00;
SS_ref_db.v[5] = 1.00;
SS_ref_db.v[6] = 1.00;
SS_ref_db.v[7] = 1.00;
SS_ref_db.v[8] = 0.800;
SS_ref_db.v[9] = 1.70;
SS_ref_db.v[10] = 1.50;
em_data tr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"tr",
"equilibrium" );
em_data ts_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ts",
"equilibrium" );
em_data parg_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"parg",
"equilibrium" );
em_data gl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gl",
"equilibrium" );
em_data cumm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cumm",
"equilibrium" );
em_data grun_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"grun",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data mu_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mu",
"equilibrium" );
em_data pa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pa",
"equilibrium" );
em_data dsp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"dsp",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
SS_ref_db.gbase[0] = tr_eq.gb;
SS_ref_db.gbase[1] = ts_eq.gb + 10.0;
SS_ref_db.gbase[2] = parg_eq.gb - 10.0;
SS_ref_db.gbase[3] = gl_eq.gb - 3.0;
SS_ref_db.gbase[4] = cumm_eq.gb;
SS_ref_db.gbase[5] = grun_eq.gb - 3.0;
SS_ref_db.gbase[6] = 0.428571428571429*cumm_eq.gb + 0.571428571428571*grun_eq.gb - 11.2;
SS_ref_db.gbase[7] = 0.285714285714286*cumm_eq.gb + 0.714285714285714*grun_eq.gb - 13.8;
SS_ref_db.gbase[8] = andr_eq.gb + gl_eq.gb -gr_eq.gb;
SS_ref_db.gbase[9] = 0.02*z_b.T + mu_eq.gb -pa_eq.gb + parg_eq.gb - 7.06;
SS_ref_db.gbase[10] = -2.0*dsp_eq.gb + 2.0*ru_eq.gb + ts_eq.gb + 95.0;
SS_ref_db.ElShearMod[0] = tr_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ts_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = parg_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = gl_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = cumm_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = grun_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 0.428571428571429*cumm_eq.ElShearMod + 0.571428571428571*grun_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = 0.285714285714286*cumm_eq.ElShearMod + 0.714285714285714*grun_eq.ElShearMod;
SS_ref_db.ElShearMod[8] = andr_eq.ElShearMod + gl_eq.ElShearMod -gr_eq.ElShearMod;
SS_ref_db.ElShearMod[9] = mu_eq.ElShearMod -pa_eq.ElShearMod + parg_eq.ElShearMod;
SS_ref_db.ElShearMod[10] = -2.0*dsp_eq.ElShearMod + 2.0*ru_eq.ElShearMod + ts_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = tr_eq.C[i];
SS_ref_db.Comp[1][i] = ts_eq.C[i];
SS_ref_db.Comp[2][i] = parg_eq.C[i];
SS_ref_db.Comp[3][i] = gl_eq.C[i];
SS_ref_db.Comp[4][i] = cumm_eq.C[i];
SS_ref_db.Comp[5][i] = grun_eq.C[i];
SS_ref_db.Comp[6][i] = 0.428571428571429*cumm_eq.C[i] + 0.571428571428571*grun_eq.C[i];
SS_ref_db.Comp[7][i] = 0.285714285714286*cumm_eq.C[i] + 0.714285714285714*grun_eq.C[i];
SS_ref_db.Comp[8][i] = andr_eq.C[i] + gl_eq.C[i] -gr_eq.C[i];
SS_ref_db.Comp[9][i] = mu_eq.C[i] -pa_eq.C[i] + parg_eq.C[i];
SS_ref_db.Comp[10][i] = -2.0*dsp_eq.C[i] + 2.0*ru_eq.C[i] + ts_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
SS_ref_db.bounds_ref[7][0] = 0.0+eps; SS_ref_db.bounds_ref[7][1] = 1.0-eps;
SS_ref_db.bounds_ref[8][0] = -1.0+eps; SS_ref_db.bounds_ref[8][1] = 1.0-eps;
SS_ref_db.bounds_ref[9][0] = -1.0+eps; SS_ref_db.bounds_ref[9][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[8] = 0.0;
SS_ref_db.d_em[8] = 1.0;
SS_ref_db.bounds_ref[6][0] = 0.0;
SS_ref_db.bounds_ref[6][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){ //TiO2
SS_ref_db.z_em[10] = 0.0;
SS_ref_db.d_em[10] = 1.0;
SS_ref_db.bounds_ref[7][0] = 0.0;
SS_ref_db.bounds_ref[7][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_aug
*/
SS_ref G_SS_mb_aug_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"di","cenh","cfs","jdm","acmm","ocats","dcats","fmc"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","z","j","Qfm","Qa1"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 29.8 - 0.03*SS_ref_db.P;
SS_ref_db.W[1] = 25.8 - 0.03*SS_ref_db.P;
SS_ref_db.W[2] = 26.0;
SS_ref_db.W[3] = 21.0;
SS_ref_db.W[4] = 12.3 - 0.01*SS_ref_db.P;
SS_ref_db.W[5] = 12.3 - 0.01*SS_ref_db.P;
SS_ref_db.W[6] = 20.6 - 0.03*SS_ref_db.P;
SS_ref_db.W[7] = 2.30;
SS_ref_db.W[8] = 50.0;
SS_ref_db.W[9] = 62.0;
SS_ref_db.W[10] = 45.7 - 0.29*SS_ref_db.P;
SS_ref_db.W[11] = 45.7 - 0.29*SS_ref_db.P;
SS_ref_db.W[12] = 4.00;
SS_ref_db.W[13] = 60.0;
SS_ref_db.W[14] = 58.0;
SS_ref_db.W[15] = 48.0;
SS_ref_db.W[16] = 48.0;
SS_ref_db.W[17] = 3.50;
SS_ref_db.W[18] = 5.00;
SS_ref_db.W[19] = 40.0;
SS_ref_db.W[20] = 40.0;
SS_ref_db.W[21] = 40.0;
SS_ref_db.W[22] = 35.0;
SS_ref_db.W[23] = 35.0;
SS_ref_db.W[24] = 60.0;
SS_ref_db.W[25] = 0.01*SS_ref_db.P + 3.8;
SS_ref_db.W[26] = 50.0;
SS_ref_db.W[27] = 50.0;
SS_ref_db.v[0] = 1.20;
SS_ref_db.v[1] = 1.00;
SS_ref_db.v[2] = 1.00;
SS_ref_db.v[3] = 1.20;
SS_ref_db.v[4] = 1.20;
SS_ref_db.v[5] = 1.90;
SS_ref_db.v[6] = 1.90;
SS_ref_db.v[7] = 1.00;
em_data di_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"di",
"equilibrium" );
em_data en_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"en",
"equilibrium" );
em_data fs_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fs",
"equilibrium" );
em_data jd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"jd",
"equilibrium" );
em_data acm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"acm",
"equilibrium" );
em_data cats_or = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cats",
"ordered" );
SS_ref_db.gbase[0] = di_eq.gb;
SS_ref_db.gbase[1] = 0.048*z_b.P - 0.002*z_b.T + en_eq.gb + 3.5;
SS_ref_db.gbase[2] = 0.045*z_b.P - 0.002*z_b.T + fs_eq.gb + 2.1;
SS_ref_db.gbase[3] = jd_eq.gb + 2.0;
SS_ref_db.gbase[4] = acm_eq.gb - 5.0;
SS_ref_db.gbase[5] = cats_or.gb;
SS_ref_db.gbase[6] = 0.01*z_b.P - 0.002882*z_b.T + cats_or.gb + 3.8;
SS_ref_db.gbase[7] = 0.0465*z_b.P - 0.002*z_b.T + 0.5*en_eq.gb + 0.5*fs_eq.gb - 1.6;
SS_ref_db.ElShearMod[0] = di_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = en_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fs_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = jd_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = acm_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = cats_or.ElShearMod;
SS_ref_db.ElShearMod[6] = cats_or.ElShearMod;
SS_ref_db.ElShearMod[7] = 0.5*en_eq.ElShearMod + 0.5*fs_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = di_eq.C[i];
SS_ref_db.Comp[1][i] = en_eq.C[i];
SS_ref_db.Comp[2][i] = fs_eq.C[i];
SS_ref_db.Comp[3][i] = jd_eq.C[i];
SS_ref_db.Comp[4][i] = acm_eq.C[i];
SS_ref_db.Comp[5][i] = cats_or.C[i];
SS_ref_db.Comp[6][i] = cats_or.C[i];
SS_ref_db.Comp[7][i] = 0.5*en_eq.C[i] + 0.5*fs_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 2.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_dio
*/
SS_ref G_SS_mb_dio_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"jd","di","hed","acmm","om","cfm","jac"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","j","t","c","Qaf","Qfm"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 26.0;
SS_ref_db.W[1] = 24.0;
SS_ref_db.W[2] = 5.00;
SS_ref_db.W[3] = 15.5;
SS_ref_db.W[4] = 25.2;
SS_ref_db.W[5] = 3.00;
SS_ref_db.W[6] = 4.00;
SS_ref_db.W[7] = 21.0;
SS_ref_db.W[8] = 15.7500000000000;
SS_ref_db.W[9] = 2.00;
SS_ref_db.W[10] = 24.6500000000000;
SS_ref_db.W[11] = 20.8;
SS_ref_db.W[12] = 17.2;
SS_ref_db.W[13] = 2.00;
SS_ref_db.W[14] = 24.6;
SS_ref_db.W[15] = 16.4;
SS_ref_db.W[16] = 22.2;
SS_ref_db.W[17] = 3.00;
SS_ref_db.W[18] = 18.4500000000000;
SS_ref_db.W[19] = 19.5;
SS_ref_db.W[20] = 24.5500000000000;
em_data jd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"jd",
"equilibrium" );
em_data di_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"di",
"equilibrium" );
em_data hed_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hed",
"equilibrium" );
em_data acm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"acm",
"equilibrium" );
SS_ref_db.gbase[0] = jd_eq.gb;
SS_ref_db.gbase[1] = di_eq.gb;
SS_ref_db.gbase[2] = hed_eq.gb;
SS_ref_db.gbase[3] = acm_eq.gb - 7.0;
SS_ref_db.gbase[4] = 0.5*di_eq.gb + 0.5*jd_eq.gb - 2.9;
SS_ref_db.gbase[5] = 0.5*di_eq.gb + 0.5*hed_eq.gb - 1.5;
SS_ref_db.gbase[6] = 0.5*acm_eq.gb + 0.5*jd_eq.gb - 4.5;
SS_ref_db.ElShearMod[0] = jd_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = di_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = hed_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = acm_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = 0.5*di_eq.ElShearMod + 0.5*jd_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 0.5*di_eq.ElShearMod + 0.5*hed_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 0.5*acm_eq.ElShearMod + 0.5*jd_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = jd_eq.C[i];
SS_ref_db.Comp[1][i] = di_eq.C[i];
SS_ref_db.Comp[2][i] = hed_eq.C[i];
SS_ref_db.Comp[3][i] = acm_eq.C[i];
SS_ref_db.Comp[4][i] = 0.5*di_eq.C[i] + 0.5*jd_eq.C[i];
SS_ref_db.Comp[5][i] = 0.5*di_eq.C[i] + 0.5*hed_eq.C[i];
SS_ref_db.Comp[6][i] = 0.5*acm_eq.C[i] + 0.5*jd_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = -0.5+eps; SS_ref_db.bounds_ref[3][1] = 0.5-eps;
SS_ref_db.bounds_ref[4][0] = -0.5+eps; SS_ref_db.bounds_ref[4][1] = 0.5-eps;
SS_ref_db.bounds_ref[5][0] = -0.5+eps; SS_ref_db.bounds_ref[5][1] = 0.5-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
SS_ref_db.z_em[6] = 0.0;
SS_ref_db.d_em[6] = 1.0;
SS_ref_db.bounds_ref[4][0] = 0.0;
SS_ref_db.bounds_ref[4][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_opx
*/
SS_ref G_SS_mb_opx_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"en","fs","fm","mgts","fopx","odi"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","c","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 7.00;
SS_ref_db.W[1] = 4.00;
SS_ref_db.W[2] = 13.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[3] = 11.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[4] = 0.12*SS_ref_db.P + 32.2;
SS_ref_db.W[5] = 4.00;
SS_ref_db.W[6] = 13.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[7] = 11.6 - 0.15*SS_ref_db.P;
SS_ref_db.W[8] = 0.084*SS_ref_db.P + 25.54;
SS_ref_db.W[9] = 17.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[10] = 15.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[11] = 0.084*SS_ref_db.P + 22.54;
SS_ref_db.W[12] = 1.00;
SS_ref_db.W[13] = 75.4 - 0.94*SS_ref_db.P;
SS_ref_db.W[14] = 73.4 - 0.94*SS_ref_db.P;
SS_ref_db.v[0] = 1.00;
SS_ref_db.v[1] = 1.00;
SS_ref_db.v[2] = 1.00;
SS_ref_db.v[3] = 1.00;
SS_ref_db.v[4] = 1.00;
SS_ref_db.v[5] = 1.20;
em_data en_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"en",
"equilibrium" );
em_data fs_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fs",
"equilibrium" );
em_data mgts_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mgts",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data di_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"di",
"equilibrium" );
SS_ref_db.gbase[0] = en_eq.gb;
SS_ref_db.gbase[1] = fs_eq.gb;
SS_ref_db.gbase[2] = 0.5*en_eq.gb + 0.5*fs_eq.gb - 6.6;
SS_ref_db.gbase[3] = mgts_eq.gb;
SS_ref_db.gbase[4] = 0.5*andr_eq.gb - 0.5*gr_eq.gb + mgts_eq.gb + 2.0;
SS_ref_db.gbase[5] = 0.005*z_b.P + 0.000211*z_b.T + di_eq.gb - 0.1;
SS_ref_db.ElShearMod[0] = en_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fs_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = 0.5*en_eq.ElShearMod + 0.5*fs_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = 0.5*andr_eq.ElShearMod - 0.5*gr_eq.ElShearMod + mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = di_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = en_eq.C[i];
SS_ref_db.Comp[1][i] = fs_eq.C[i];
SS_ref_db.Comp[2][i] = 0.5*en_eq.C[i] + 0.5*fs_eq.C[i];
SS_ref_db.Comp[3][i] = mgts_eq.C[i];
SS_ref_db.Comp[4][i] = 0.5*andr_eq.C[i] - 0.5*gr_eq.C[i] + mgts_eq.C[i];
SS_ref_db.Comp[5][i] = di_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_g
*/
SS_ref G_SS_mb_g_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"py","alm","gr","kho"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","z","f"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 2.50;
SS_ref_db.W[1] = 31.0;
SS_ref_db.W[2] = 5.40;
SS_ref_db.W[3] = 5.00;
SS_ref_db.W[4] = 22.6;
SS_ref_db.W[5] = -15.3;
SS_ref_db.v[0] = 1.00;
SS_ref_db.v[1] = 1.00;
SS_ref_db.v[2] = 2.70;
SS_ref_db.v[3] = 1.00;
em_data py_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"py",
"equilibrium" );
em_data alm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"alm",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = py_eq.gb;
SS_ref_db.gbase[1] = alm_eq.gb;
SS_ref_db.gbase[2] = gr_eq.gb;
SS_ref_db.gbase[3] = andr_eq.gb -gr_eq.gb + py_eq.gb + 27.0;
SS_ref_db.ElShearMod[0] = py_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = alm_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = gr_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = andr_eq.ElShearMod -gr_eq.ElShearMod + py_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = py_eq.C[i];
SS_ref_db.Comp[1][i] = alm_eq.C[i];
SS_ref_db.Comp[2][i] = gr_eq.C[i];
SS_ref_db.Comp[3][i] = andr_eq.C[i] -gr_eq.C[i] + py_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_ol
*/
SS_ref G_SS_mb_ol_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"fo","fa"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 9.00;
em_data fo_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fo",
"equilibrium" );
em_data fa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fa",
"equilibrium" );
SS_ref_db.gbase[0] = fo_eq.gb;
SS_ref_db.gbase[1] = fa_eq.gb;
SS_ref_db.ElShearMod[0] = fo_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fa_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = fo_eq.C[i];
SS_ref_db.Comp[1][i] = fa_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_fsp
*/
SS_ref G_SS_mb_fsp_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"ab","an","san"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"ca","k"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = -0.04*SS_ref_db.P - 0.00935*SS_ref_db.T + 14.6;
SS_ref_db.W[1] = 0.338*SS_ref_db.P - 0.00957*SS_ref_db.T + 24.1;
SS_ref_db.W[2] = 48.5 - 0.13*SS_ref_db.P;
SS_ref_db.v[0] = 0.674;
SS_ref_db.v[1] = 0.550;
SS_ref_db.v[2] = 1.00;
em_data ab_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ab",
"equilibrium" );
em_data an_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"an",
"equilibrium" );
em_data san_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"san",
"equilibrium" );
SS_ref_db.gbase[0] = ab_eq.gb;
SS_ref_db.gbase[1] = an_eq.gb;
SS_ref_db.gbase[2] = san_eq.gb;
SS_ref_db.ElShearMod[0] = ab_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = an_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = san_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ab_eq.C[i];
SS_ref_db.Comp[1][i] = an_eq.C[i];
SS_ref_db.Comp[2][i] = san_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_abc
*/
SS_ref G_SS_mb_abc_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"abm","anm"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"ca"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 3.40;
SS_ref_db.v[0] = 0.640;
SS_ref_db.v[1] = 1.00;
em_data ab_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ab",
"equilibrium" );
em_data an_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"an",
"equilibrium" );
SS_ref_db.gbase[0] = 0.002*z_b.T + ab_eq.gb - 1.746;
SS_ref_db.gbase[1] = an_eq.gb + 10.0;
SS_ref_db.ElShearMod[0] = ab_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = an_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ab_eq.C[i];
SS_ref_db.Comp[1][i] = an_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_k4tr
*/
SS_ref G_SS_mb_k4tr_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"ab","an","san"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"na","ca"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = -0.04*SS_ref_db.P - 0.00935*SS_ref_db.T + 14.6;
SS_ref_db.W[1] = 0.338*SS_ref_db.P - 0.00957*SS_ref_db.T + 24.1;
SS_ref_db.W[2] = 48.5 - 0.13*SS_ref_db.P;
SS_ref_db.v[0] = 0.674;
SS_ref_db.v[1] = 0.550;
SS_ref_db.v[2] = 1.00;
em_data ab_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ab",
"equilibrium" );
em_data an_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"an",
"equilibrium" );
em_data san_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"san",
"equilibrium" );
SS_ref_db.gbase[0] = ab_eq.gb;
SS_ref_db.gbase[1] = an_eq.gb;
SS_ref_db.gbase[2] = san_eq.gb;
SS_ref_db.ElShearMod[0] = ab_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = an_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = san_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ab_eq.C[i];
SS_ref_db.Comp[1][i] = an_eq.C[i];
SS_ref_db.Comp[2][i] = san_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_sp
*/
SS_ref G_SS_mb_sp_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"herc","sp","mt","usp"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","z"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.0;
SS_ref_db.W[1] = 18.5;
SS_ref_db.W[2] = 27.0;
SS_ref_db.W[3] = 40.0;
SS_ref_db.W[4] = 30.0;
SS_ref_db.W[5] = 0.0;
em_data herc_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"herc",
"equilibrium" );
em_data sp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"sp",
"equilibrium" );
em_data mt_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mt",
"equilibrium" );
em_data usp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"usp",
"equilibrium" );
SS_ref_db.gbase[0] = herc_eq.gb;
SS_ref_db.gbase[1] = sp_eq.gb;
SS_ref_db.gbase[2] = mt_eq.gb;
SS_ref_db.gbase[3] = usp_eq.gb;
SS_ref_db.ElShearMod[0] = herc_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = sp_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = mt_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = usp_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = herc_eq.C[i];
SS_ref_db.Comp[1][i] = sp_eq.C[i];
SS_ref_db.Comp[2][i] = mt_eq.C[i];
SS_ref_db.Comp[3][i] = usp_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0. && z_b.bulk_rock[7] == 0.){ //O && TiO2
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
SS_ref_db.bounds_ref[1][0] = 1.0;
SS_ref_db.bounds_ref[1][1] = 1.0;
}
if (z_b.bulk_rock[7] == 0. && z_b.bulk_rock[8] != 0.){ //TiO2
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_ilm
*/
SS_ref G_SS_mb_ilm_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"oilm","dilm","dhem"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 15.6;
SS_ref_db.W[1] = 26.6;
SS_ref_db.W[2] = 11.0;
em_data ilm_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ilm",
"disordered" );
em_data hem_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hem",
"disordered" );
SS_ref_db.gbase[0] = 0.009426*z_b.T + ilm_di.gb - 13.6075;
SS_ref_db.gbase[1] = -0.0021*z_b.T + ilm_di.gb + 1.9928;
SS_ref_db.gbase[2] = hem_di.gb;
SS_ref_db.ElShearMod[0] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[1] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[2] = hem_di.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ilm_di.C[i];
SS_ref_db.Comp[1][i] = ilm_di.C[i];
SS_ref_db.Comp[2][i] = hem_di.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = -0.99+eps; SS_ref_db.bounds_ref[1][1] = 0.99-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
SS_ref_db.bounds_ref[0][0] = 1.0;
SS_ref_db.bounds_ref[0][1] = 1.0;
}
if (z_b.bulk_rock[7] == 0.){ //TiO2
SS_ref_db.z_em[0] = 0.0;
SS_ref_db.d_em[0] = 1.0;
SS_ref_db.bounds_ref[0][0] = 0.0;
SS_ref_db.bounds_ref[0][1] = 0.0;
SS_ref_db.z_em[1] = 0.0;
SS_ref_db.d_em[1] = 1.0;
SS_ref_db.bounds_ref[1][0] = 0.0;
SS_ref_db.bounds_ref[1][1] = 0.0;
}
/* this lists the index of the order variables */
SS_ref_db.orderVar = 1;
SS_ref_db.idOrderVar[1] = -1.0;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_ilmm
*/
SS_ref G_SS_mb_ilmm_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"oilm","dilm","dhem","geik"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"c","t","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 15.6;
SS_ref_db.W[1] = 26.6;
SS_ref_db.W[2] = 4.00;
SS_ref_db.W[3] = 11.0;
SS_ref_db.W[4] = 4.00;
SS_ref_db.W[5] = 36.0;
em_data ilm_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ilm",
"disordered" );
em_data hem_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hem",
"disordered" );
em_data geik_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"geik",
"equilibrium" );
SS_ref_db.gbase[0] = 0.009426*z_b.T + ilm_di.gb - 13.6075;
SS_ref_db.gbase[1] = -0.0021*z_b.T + ilm_di.gb + 1.9928;
SS_ref_db.gbase[2] = hem_di.gb;
SS_ref_db.gbase[3] = geik_eq.gb;
SS_ref_db.ElShearMod[0] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[1] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[2] = hem_di.ElShearMod;
SS_ref_db.ElShearMod[3] = geik_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ilm_di.C[i];
SS_ref_db.Comp[1][i] = ilm_di.C[i];
SS_ref_db.Comp[2][i] = hem_di.C[i];
SS_ref_db.Comp[3][i] = geik_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_ep
*/
SS_ref G_SS_mb_ep_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"cz","ep","fep"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"f","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 1.00;
SS_ref_db.W[1] = 3.00;
SS_ref_db.W[2] = 1.00;
em_data cz_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cz",
"equilibrium" );
em_data ep_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ep",
"equilibrium" );
em_data fep_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fep",
"equilibrium" );
SS_ref_db.gbase[0] = cz_eq.gb;
SS_ref_db.gbase[1] = ep_eq.gb;
SS_ref_db.gbase[2] = fep_eq.gb;
SS_ref_db.ElShearMod[0] = cz_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ep_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fep_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = cz_eq.C[i];
SS_ref_db.Comp[1][i] = ep_eq.C[i];
SS_ref_db.Comp[2][i] = fep_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 0.5-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[1] = 0.0;
SS_ref_db.d_em[1] = 1.0;
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
SS_ref_db.bounds_ref[0][0] = 0.0;
SS_ref_db.bounds_ref[0][1] = 0.0;
SS_ref_db.bounds_ref[1][0] = 0.0;
SS_ref_db.bounds_ref[1][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_bi
*/
SS_ref G_SS_mb_bi_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"phl","annm","obi","east","tbi","fbi"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","t","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 12.0;
SS_ref_db.W[1] = 4.00;
SS_ref_db.W[2] = 10.0;
SS_ref_db.W[3] = 30.0;
SS_ref_db.W[4] = 8.00;
SS_ref_db.W[5] = 8.00;
SS_ref_db.W[6] = 15.0;
SS_ref_db.W[7] = 32.0;
SS_ref_db.W[8] = 13.6;
SS_ref_db.W[9] = 7.00;
SS_ref_db.W[10] = 24.0;
SS_ref_db.W[11] = 5.60;
SS_ref_db.W[12] = 40.0;
SS_ref_db.W[13] = 1.00;
SS_ref_db.W[14] = 40.0;
em_data phl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"phl",
"equilibrium" );
em_data ann_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ann",
"equilibrium" );
em_data east_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"east",
"equilibrium" );
em_data br_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"br",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = phl_eq.gb;
SS_ref_db.gbase[1] = ann_eq.gb - 3.0;
SS_ref_db.gbase[2] = 1.0/3.0*ann_eq.gb + 2.0/3.0*phl_eq.gb - 3.0;
SS_ref_db.gbase[3] = east_eq.gb;
SS_ref_db.gbase[4] = -br_eq.gb + phl_eq.gb + ru_eq.gb + 55.0;
SS_ref_db.gbase[5] = 0.5*andr_eq.gb + east_eq.gb - 0.5*gr_eq.gb - 3.0;
SS_ref_db.ElShearMod[0] = phl_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ann_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = 1.0/3.0*ann_eq.ElShearMod + 2.0/3.0*phl_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = east_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = -br_eq.ElShearMod + phl_eq.ElShearMod + ru_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 0.5*andr_eq.ElShearMod + east_eq.ElShearMod - 0.5*gr_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = phl_eq.C[i];
SS_ref_db.Comp[1][i] = ann_eq.C[i];
SS_ref_db.Comp[2][i] = 1.0/3.0*ann_eq.C[i] + 2.0/3.0*phl_eq.C[i];
SS_ref_db.Comp[3][i] = east_eq.C[i];
SS_ref_db.Comp[4][i] = -br_eq.C[i] + phl_eq.C[i] + ru_eq.C[i];
SS_ref_db.Comp[5][i] = 0.5*andr_eq.C[i] + east_eq.C[i] - 0.5*gr_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){ //TiO2
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_mu
*/
SS_ref G_SS_mb_mu_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"mu","cel","fcel","pa","mam","fmu"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","n","c"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.2*SS_ref_db.P;
SS_ref_db.W[1] = 0.2*SS_ref_db.P;
SS_ref_db.W[2] = 0.353*SS_ref_db.P + 0.0034*SS_ref_db.T + 10.12;
SS_ref_db.W[3] = 35.0;
SS_ref_db.W[4] = 0.0;
SS_ref_db.W[5] = 0.0;
SS_ref_db.W[6] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[7] = 50.0;
SS_ref_db.W[8] = 0.0;
SS_ref_db.W[9] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[10] = 50.0;
SS_ref_db.W[11] = 0.0;
SS_ref_db.W[12] = 15.0;
SS_ref_db.W[13] = 30.0;
SS_ref_db.W[14] = 35.0;
SS_ref_db.v[0] = 0.630;
SS_ref_db.v[1] = 0.630;
SS_ref_db.v[2] = 0.630;
SS_ref_db.v[3] = 0.370;
SS_ref_db.v[4] = 0.630;
SS_ref_db.v[5] = 0.630;
em_data mu_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mu",
"equilibrium" );
em_data cel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cel",
"equilibrium" );
em_data fcel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fcel",
"equilibrium" );
em_data pa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pa",
"equilibrium" );
em_data ma_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ma",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = mu_eq.gb;
SS_ref_db.gbase[1] = cel_eq.gb;
SS_ref_db.gbase[2] = fcel_eq.gb;
SS_ref_db.gbase[3] = pa_eq.gb;
SS_ref_db.gbase[4] = ma_eq.gb + 5.0;
SS_ref_db.gbase[5] = 0.5*andr_eq.gb - 0.5*gr_eq.gb + mu_eq.gb + 25.0;
SS_ref_db.ElShearMod[0] = mu_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = cel_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fcel_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = pa_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = ma_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 0.5*andr_eq.ElShearMod - 0.5*gr_eq.ElShearMod + mu_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mu_eq.C[i];
SS_ref_db.Comp[1][i] = cel_eq.C[i];
SS_ref_db.Comp[2][i] = fcel_eq.C[i];
SS_ref_db.Comp[3][i] = pa_eq.C[i];
SS_ref_db.Comp[4][i] = ma_eq.C[i];
SS_ref_db.Comp[5][i] = 0.5*andr_eq.C[i] - 0.5*gr_eq.C[i] + mu_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_chl
*/
SS_ref G_SS_mb_chl_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"clin","afchl","ames","daph","ochl1","ochl4","f3clin"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","QAl","Q1","Q4"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 17.0;
SS_ref_db.W[1] = 17.0;
SS_ref_db.W[2] = 20.0;
SS_ref_db.W[3] = 30.0;
SS_ref_db.W[4] = 21.0;
SS_ref_db.W[5] = 2.00;
SS_ref_db.W[6] = 16.0;
SS_ref_db.W[7] = 37.0;
SS_ref_db.W[8] = 20.0;
SS_ref_db.W[9] = 4.00;
SS_ref_db.W[10] = 15.0;
SS_ref_db.W[11] = 30.0;
SS_ref_db.W[12] = 29.0;
SS_ref_db.W[13] = 13.0;
SS_ref_db.W[14] = 19.0;
SS_ref_db.W[15] = 18.0;
SS_ref_db.W[16] = 33.0;
SS_ref_db.W[17] = 22.0;
SS_ref_db.W[18] = 24.0;
SS_ref_db.W[19] = 28.6;
SS_ref_db.W[20] = 19.0;
em_data clin_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"clin",
"equilibrium" );
em_data afchl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"afchl",
"equilibrium" );
em_data ames_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ames",
"equilibrium" );
em_data daph_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"daph",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = clin_eq.gb;
SS_ref_db.gbase[1] = afchl_eq.gb;
SS_ref_db.gbase[2] = ames_eq.gb;
SS_ref_db.gbase[3] = daph_eq.gb;
SS_ref_db.gbase[4] = afchl_eq.gb -clin_eq.gb + daph_eq.gb + 3.0;
SS_ref_db.gbase[5] = afchl_eq.gb - 0.2*clin_eq.gb + 0.2*daph_eq.gb + 2.4;
SS_ref_db.gbase[6] = 0.5*andr_eq.gb + clin_eq.gb - 0.5*gr_eq.gb + 2.0;
SS_ref_db.ElShearMod[0] = clin_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = afchl_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = ames_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = daph_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = afchl_eq.ElShearMod -clin_eq.ElShearMod + daph_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = afchl_eq.ElShearMod - 0.2*clin_eq.ElShearMod + 0.2*daph_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 0.5*andr_eq.ElShearMod + clin_eq.ElShearMod - 0.5*gr_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = clin_eq.C[i];
SS_ref_db.Comp[1][i] = afchl_eq.C[i];
SS_ref_db.Comp[2][i] = ames_eq.C[i];
SS_ref_db.Comp[3][i] = daph_eq.C[i];
SS_ref_db.Comp[4][i] = afchl_eq.C[i] -clin_eq.C[i] + daph_eq.C[i];
SS_ref_db.Comp[5][i] = afchl_eq.C[i] - 0.2*clin_eq.C[i] + 0.2*daph_eq.C[i];
SS_ref_db.Comp[6][i] = 0.5*andr_eq.C[i] + clin_eq.C[i] - 0.5*gr_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = -1.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = -1.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = -1.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){ //O
SS_ref_db.z_em[6] = 0.0;
SS_ref_db.d_em[6] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
/**************************************************************************************/
/**************************************************************************************/
/************************METAPELITE DATABASE (White al., 2011)*************************/
/**************************************************************************************/
/**************************************************************************************/
[docs]/**
retrieve reference thermodynamic data for mp_liq
*/
SS_ref G_SS_mp_liq_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"q4L","abL","kspL","anL","slL","fo2L","fa2L","h2oL"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"q","fsp","na","an","ol","x","h2o"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 12.0 - 0.4*SS_ref_db.P;
SS_ref_db.W[1] = -0.5*SS_ref_db.P - 2.0;
SS_ref_db.W[2] = 5.0;
SS_ref_db.W[3] = 12.0;
SS_ref_db.W[4] = 12.0 - 0.4*SS_ref_db.P;
SS_ref_db.W[5] = 14.0;
SS_ref_db.W[6] = 17.0 - 0.5*SS_ref_db.P;
SS_ref_db.W[7] = 3.0*SS_ref_db.P - 6.0;
SS_ref_db.W[8] = 0.0;
SS_ref_db.W[9] = 12.0;
SS_ref_db.W[10] = 10.0;
SS_ref_db.W[11] = 2.0;
SS_ref_db.W[12] = -0.3*SS_ref_db.P - 1.5;
SS_ref_db.W[13] = -SS_ref_db.P;
SS_ref_db.W[14] = 12.0;
SS_ref_db.W[15] = 12.0;
SS_ref_db.W[16] = 12.0;
SS_ref_db.W[17] = 9.5 - 0.3*SS_ref_db.P;
SS_ref_db.W[18] = 0.0;
SS_ref_db.W[19] = 0.0;
SS_ref_db.W[20] = 0.0;
SS_ref_db.W[21] = 7.5 - 0.5*SS_ref_db.P;
SS_ref_db.W[22] = 12.0;
SS_ref_db.W[23] = 12.0;
SS_ref_db.W[24] = 11.0;
SS_ref_db.W[25] = 18.0;
SS_ref_db.W[26] = 11.0- 0.5*SS_ref_db.P;
SS_ref_db.W[27] = 12.0;
em_data qL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"qL",
"equilibrium" );
em_data abL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"abL",
"equilibrium" );
em_data kspL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"kspL",
"equilibrium" );
em_data anL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"anL",
"equilibrium" );
em_data silL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"silL",
"equilibrium" );
em_data foL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"foL",
"equilibrium" );
em_data faL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"faL",
"equilibrium" );
em_data h2oL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"h2oL",
"equilibrium" );
SS_ref_db.gbase[0] = 4.0*qL_eq.gb;
SS_ref_db.gbase[1] = abL_eq.gb;
SS_ref_db.gbase[2] = kspL_eq.gb;
SS_ref_db.gbase[3] = anL_eq.gb;
SS_ref_db.gbase[4] = 1.6*silL_eq.gb - 23.0;
SS_ref_db.gbase[5] = 2.0*foL_eq.gb - 10.0;
SS_ref_db.gbase[6] = -1.3*z_b.P + 2.0*faL_eq.gb - 9.0;
SS_ref_db.gbase[7] = h2oL_eq.gb;
SS_ref_db.ElShearMod[0] = 4.0*qL_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = abL_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = kspL_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = anL_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = 1.6*silL_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 2.0*foL_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 2.0*faL_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = h2oL_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = 4.0*qL_eq.C[i];
SS_ref_db.Comp[1][i] = abL_eq.C[i];
SS_ref_db.Comp[2][i] = kspL_eq.C[i];
SS_ref_db.Comp[3][i] = anL_eq.C[i];
SS_ref_db.Comp[4][i] = 1.6*silL_eq.C[i];
SS_ref_db.Comp[5][i] = 2.0*foL_eq.C[i];
SS_ref_db.Comp[6][i] = 2.0*faL_eq.C[i];
SS_ref_db.Comp[7][i] = h2oL_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
if (z_b.bulk_rock[10] == 0.){
SS_ref_db.z_em[7] = 0.0;
SS_ref_db.bounds_ref[6][0] = eps;
SS_ref_db.bounds_ref[6][1] = eps;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_bi
*/
SS_ref G_SS_mp_bi_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"phl","annm","obi","east","tbi","fbi","mmbi"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","m","y","f","t","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 12.0;
SS_ref_db.W[1] = 4.0;
SS_ref_db.W[2] = 10.0;
SS_ref_db.W[3] = 30.0;
SS_ref_db.W[4] = 8.0;
SS_ref_db.W[5] = 9.0;
SS_ref_db.W[6] = 8.0;
SS_ref_db.W[7] = 15.0;
SS_ref_db.W[8] = 32.0;
SS_ref_db.W[9] = 13.6;
SS_ref_db.W[10] = 6.3;
SS_ref_db.W[11] = 7.0;
SS_ref_db.W[12] = 24.0;
SS_ref_db.W[13] = 5.6;
SS_ref_db.W[14] = 8.1;
SS_ref_db.W[15] = 40.0;
SS_ref_db.W[16] = 1.0;
SS_ref_db.W[17] = 13.0;
SS_ref_db.W[18] = 40.0;
SS_ref_db.W[19] = 30.0;
SS_ref_db.W[20] = 11.6;
em_data phl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"phl",
"equilibrium" );
em_data ann_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ann",
"equilibrium" );
em_data east_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"east",
"equilibrium" );
em_data br_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"br",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data mnbi_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mnbi",
"equilibrium" );
SS_ref_db.gbase[0] = phl_eq.gb;
SS_ref_db.gbase[1] = ann_eq.gb - 3.0;
SS_ref_db.gbase[2] = 1.0/3.0*ann_eq.gb + 2.0/3.0*phl_eq.gb - 3.0;
SS_ref_db.gbase[3] = east_eq.gb;
SS_ref_db.gbase[4] = -br_eq.gb + phl_eq.gb + ru_eq.gb + 55.0;
SS_ref_db.gbase[5] = 0.5*andr_eq.gb + east_eq.gb - 0.5*gr_eq.gb - 3.0;
SS_ref_db.gbase[6] = mnbi_eq.gb - 7.89;
SS_ref_db.ElShearMod[0] = phl_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ann_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = 1.0/3.0*ann_eq.ElShearMod + 2.0/3.0*phl_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = east_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = -br_eq.ElShearMod + phl_eq.ElShearMod + ru_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 0.5*andr_eq.ElShearMod + east_eq.ElShearMod - 0.5*gr_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = mnbi_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = phl_eq.C[i];
SS_ref_db.Comp[1][i] = ann_eq.C[i];
SS_ref_db.Comp[2][i] = 1.0/3.0*ann_eq.C[i] + 2.0/3.0*phl_eq.C[i];
SS_ref_db.Comp[3][i] = east_eq.C[i];
SS_ref_db.Comp[4][i] = -br_eq.C[i] + phl_eq.C[i] + ru_eq.C[i];
SS_ref_db.Comp[5][i] = 0.5*andr_eq.C[i] + east_eq.C[i] - 0.5*gr_eq.C[i];
SS_ref_db.Comp[6][i] = mnbi_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_cd
*/
SS_ref G_SS_mp_cd_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"crd","fcrd","hcrd","mncd"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","m","h"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 8.0;
SS_ref_db.W[1] = 0.0;
SS_ref_db.W[2] = 6.0;
SS_ref_db.W[3] = 9.0;
SS_ref_db.W[4] = 4.0;
SS_ref_db.W[5] = 6.0;
em_data crd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"crd",
"equilibrium" );
em_data fcrd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fcrd",
"equilibrium" );
em_data hcrd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hcrd",
"equilibrium" );
em_data mncrd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mncrd",
"equilibrium" );
SS_ref_db.gbase[0] = crd_eq.gb;
SS_ref_db.gbase[1] = fcrd_eq.gb;
SS_ref_db.gbase[2] = hcrd_eq.gb;
SS_ref_db.gbase[3] = mncrd_eq.gb - 4.21;
SS_ref_db.ElShearMod[0] = crd_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fcrd_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = hcrd_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = mncrd_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = crd_eq.C[i];
SS_ref_db.Comp[1][i] = fcrd_eq.C[i];
SS_ref_db.Comp[2][i] = hcrd_eq.C[i];
SS_ref_db.Comp[3][i] = mncrd_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_chl
*/
SS_ref G_SS_mp_chl_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"clin","afchl","ames","daph","ochl1","ochl4","f3clin","mmchl"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","m","QAl","Q1","Q4"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 17.0;
SS_ref_db.W[1] = 17.0;
SS_ref_db.W[2] = 20.0;
SS_ref_db.W[3] = 30.0;
SS_ref_db.W[4] = 21.0;
SS_ref_db.W[5] = 2.0;
SS_ref_db.W[6] = 6.0;
SS_ref_db.W[7] = 16.0;
SS_ref_db.W[8] = 37.0;
SS_ref_db.W[9] = 20.0;
SS_ref_db.W[10] = 4.0;
SS_ref_db.W[11] = 15.0;
SS_ref_db.W[12] = 23.0;
SS_ref_db.W[13] = 30.0;
SS_ref_db.W[14] = 29.0;
SS_ref_db.W[15] = 13.0;
SS_ref_db.W[16] = 19.0;
SS_ref_db.W[17] = 17.0;
SS_ref_db.W[18] = 18.0;
SS_ref_db.W[19] = 33.0;
SS_ref_db.W[20] = 22.0;
SS_ref_db.W[21] = 4.0;
SS_ref_db.W[22] = 24.0;
SS_ref_db.W[23] = 28.6;
SS_ref_db.W[24] = 19.0;
SS_ref_db.W[25] = 19.0;
SS_ref_db.W[26] = 22.0;
SS_ref_db.W[27] = 8.0;
em_data clin_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"clin",
"equilibrium" );
em_data afchl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"afchl",
"equilibrium" );
em_data ames_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ames",
"equilibrium" );
em_data daph_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"daph",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data mnchl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mnchl",
"equilibrium" );
SS_ref_db.gbase[0] = clin_eq.gb;
SS_ref_db.gbase[1] = afchl_eq.gb;
SS_ref_db.gbase[2] = ames_eq.gb;
SS_ref_db.gbase[3] = daph_eq.gb;
SS_ref_db.gbase[4] = afchl_eq.gb - clin_eq.gb + daph_eq.gb + 3.0;
SS_ref_db.gbase[5] = afchl_eq.gb - 0.2*clin_eq.gb + 0.2*daph_eq.gb + 2.4;
SS_ref_db.gbase[6] = 0.5*andr_eq.gb + clin_eq.gb - 0.5*gr_eq.gb + 2.0;
SS_ref_db.gbase[7] = mnchl_eq.gb - 5.67;
SS_ref_db.ElShearMod[0] = clin_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = afchl_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = ames_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = daph_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = afchl_eq.ElShearMod - clin_eq.ElShearMod + daph_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = afchl_eq.ElShearMod - 0.2*clin_eq.ElShearMod + 0.2*daph_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 0.5*andr_eq.ElShearMod + clin_eq.ElShearMod - 0.5*gr_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = mnchl_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = clin_eq.C[i];
SS_ref_db.Comp[1][i] = afchl_eq.C[i];
SS_ref_db.Comp[2][i] = ames_eq.C[i];
SS_ref_db.Comp[3][i] = daph_eq.C[i];
SS_ref_db.Comp[4][i] = afchl_eq.C[i] - clin_eq.C[i] + daph_eq.C[i];
SS_ref_db.Comp[5][i] = afchl_eq.C[i] - 0.2*clin_eq.C[i] + 0.2*daph_eq.C[i];
SS_ref_db.Comp[6][i] = 0.5*andr_eq.C[i] + clin_eq.C[i] - 0.5*gr_eq.C[i];
SS_ref_db.Comp[7][i] = mnchl_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = -1.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = -1.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = -1.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[6] = 0.0;
SS_ref_db.d_em[6] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
/* this lists the index of the order variables */
// SS_ref_db.orderVar = 1;
// SS_ref_db.idOrderVar[3] = -1.0;
// SS_ref_db.idOrderVar[4] = -1.0;
// SS_ref_db.idOrderVar[5] = -1.0;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_ctd
*/
SS_ref G_SS_mp_ctd_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"mctd","fctd","mnct","ctdo"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","m","f"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 4.0;
SS_ref_db.W[1] = 3.0;
SS_ref_db.W[2] = 1.0;
SS_ref_db.W[3] = 3.0;
SS_ref_db.W[4] = 5.0;
SS_ref_db.W[5] = 4.0;
em_data mctd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mctd",
"equilibrium" );
em_data fctd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fctd",
"equilibrium" );
em_data mnctd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mnctd",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
SS_ref_db.gbase[0] = mctd_eq.gb;
SS_ref_db.gbase[1] = fctd_eq.gb;
SS_ref_db.gbase[2] = mnctd_eq.gb + 0.66;
SS_ref_db.gbase[3] = 0.25*andr_eq.gb - 0.25*gr_eq.gb + mctd_eq.gb + 13.5;
SS_ref_db.ElShearMod[0] = mctd_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fctd_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = mnctd_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = 0.25*andr_eq.ElShearMod - 0.25*gr_eq.ElShearMod + mctd_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mctd_eq.C[i];
SS_ref_db.Comp[1][i] = fctd_eq.C[i];
SS_ref_db.Comp[2][i] = mnctd_eq.C[i];
SS_ref_db.Comp[3][i] = 0.25*andr_eq.C[i] - 0.25*gr_eq.C[i] + mctd_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_ep
*/
SS_ref G_SS_mp_ep_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"cz","ep","fep"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"f","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 1.0;
SS_ref_db.W[1] = 3.0;
SS_ref_db.W[2] = 1.0;
em_data cz_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cz",
"equilibrium" );
em_data ep_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ep",
"equilibrium" );
em_data fep_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fep",
"equilibrium" );
SS_ref_db.gbase[0] = cz_eq.gb;
SS_ref_db.gbase[1] = ep_eq.gb;
SS_ref_db.gbase[2] = fep_eq.gb;
SS_ref_db.ElShearMod[0] = cz_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ep_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fep_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = cz_eq.C[i];
SS_ref_db.Comp[1][i] = ep_eq.C[i];
SS_ref_db.Comp[2][i] = fep_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 0.5-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.bounds_ref[0][0] = 0.0;
SS_ref_db.bounds_ref[0][1] = 0.0;
SS_ref_db.bounds_ref[1][0] = 0.0;
SS_ref_db.bounds_ref[1][1] = 0.0;
SS_ref_db.z_em[1] = 0.0;
SS_ref_db.d_em[1] = 1.0;
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_g
*/
SS_ref G_SS_mp_g_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"py","alm","spss","gr","kho"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","z","m","f"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 2.5;
SS_ref_db.W[1] = 2.0;
SS_ref_db.W[2] = 31.0;
SS_ref_db.W[3] = 5.4;
SS_ref_db.W[4] = 2.0;
SS_ref_db.W[5] = 5.0;
SS_ref_db.W[6] = 22.6;
SS_ref_db.W[7] = 0.0;
SS_ref_db.W[8] = 29.4;
SS_ref_db.W[9] = -15.3;
SS_ref_db.v[0] = 1.0;
SS_ref_db.v[1] = 1.0;
SS_ref_db.v[2] = 1.0;
SS_ref_db.v[3] = 2.7;
SS_ref_db.v[4] = 1.0;
em_data py_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"py",
"equilibrium" );
em_data alm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"alm",
"equilibrium" );
em_data spss_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"spss",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = py_eq.gb;
SS_ref_db.gbase[1] = alm_eq.gb;
SS_ref_db.gbase[2] = spss_eq.gb;
SS_ref_db.gbase[3] = gr_eq.gb;
SS_ref_db.gbase[4] = andr_eq.gb - gr_eq.gb + py_eq.gb + 27.0;
SS_ref_db.ElShearMod[0] = py_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = alm_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = spss_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = gr_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = andr_eq.ElShearMod - gr_eq.ElShearMod + py_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = py_eq.C[i];
SS_ref_db.Comp[1][i] = alm_eq.C[i];
SS_ref_db.Comp[2][i] = spss_eq.C[i];
SS_ref_db.Comp[3][i] = gr_eq.C[i];
SS_ref_db.Comp[4][i] = andr_eq.C[i] - gr_eq.C[i] + py_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mb_ilm
*/
SS_ref G_SS_mp_ilm_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"oilm","dilm","dhem"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 15.6;
SS_ref_db.W[1] = 26.6;
SS_ref_db.W[2] = 11.0;
em_data ilm_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ilm",
"disordered" );
em_data hem_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hem",
"disordered" );
SS_ref_db.gbase[0] = 0.009426*z_b.T + ilm_di.gb - 13.6075;
SS_ref_db.gbase[1] = -0.0021*z_b.T + ilm_di.gb + 1.9928;
SS_ref_db.gbase[2] = hem_di.gb;
SS_ref_db.ElShearMod[0] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[1] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[2] = hem_di.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ilm_di.C[i];
SS_ref_db.Comp[1][i] = ilm_di.C[i];
SS_ref_db.Comp[2][i] = hem_di.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = -0.99+eps; SS_ref_db.bounds_ref[1][1] = 0.99-eps;
/* this lists the index of the order variables */
SS_ref_db.orderVar = 1;
SS_ref_db.idOrderVar[1] = -1.0;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_ilmm
*/
SS_ref G_SS_mp_ilmm_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"oilm","dilm","dhem","geik","pnt"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"i","g","m","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 15.6;
SS_ref_db.W[1] = 26.6;
SS_ref_db.W[2] = 4.0;
SS_ref_db.W[3] = 2.0;
SS_ref_db.W[4] = 11.0;
SS_ref_db.W[5] = 4.0;
SS_ref_db.W[6] = 2.0;
SS_ref_db.W[7] = 36.0;
SS_ref_db.W[8] = 25.0;
SS_ref_db.W[9] = 4.0;
em_data ilm_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ilm",
"disordered" );
em_data hem_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hem",
"disordered" );
em_data geik_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"geik",
"equilibrium" );
em_data pnt_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pnt",
"equilibrium" );
SS_ref_db.gbase[0] = 0.009426*z_b.T + ilm_di.gb - 13.6075;
SS_ref_db.gbase[1] = -0.0021*z_b.T + ilm_di.gb + 1.9928;
SS_ref_db.gbase[2] = hem_di.gb;
SS_ref_db.gbase[3] = geik_eq.gb;
SS_ref_db.gbase[4] = pnt_eq.gb;
SS_ref_db.ElShearMod[0] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[1] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[2] = hem_di.ElShearMod;
SS_ref_db.ElShearMod[3] = geik_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = pnt_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ilm_di.C[i];
SS_ref_db.Comp[1][i] = ilm_di.C[i];
SS_ref_db.Comp[2][i] = hem_di.C[i];
SS_ref_db.Comp[3][i] = geik_eq.C[i];
SS_ref_db.Comp[4][i] = pnt_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = -1.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
SS_ref_db.bounds_ref[0][0] = 1.0;
SS_ref_db.bounds_ref[0][1] = 1.0;
}
/* this lists the index of the order variables */
SS_ref_db.orderVar = 1;
SS_ref_db.idOrderVar[3] = -1.0;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_ma
*/
SS_ref G_SS_mp_ma_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"mut","celt","fcelt","pat","ma","fmu"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","n","c"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.2*SS_ref_db.P;
SS_ref_db.W[1] = 0.2*SS_ref_db.P;
SS_ref_db.W[2] = 0.353*SS_ref_db.P + 0.0034*SS_ref_db.T + 10.12;
SS_ref_db.W[3] = 34.0;
SS_ref_db.W[4] = 0.0;
SS_ref_db.W[5] = 0.0;
SS_ref_db.W[6] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[7] = 50.0;
SS_ref_db.W[8] = 0.0;
SS_ref_db.W[9] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[10] = 50.0;
SS_ref_db.W[11] = 0.0;
SS_ref_db.W[12] = 18.0;
SS_ref_db.W[13] = 30.0;
SS_ref_db.W[14] = 35.0;
SS_ref_db.v[0] = 0.63;
SS_ref_db.v[1] = 0.63;
SS_ref_db.v[2] = 0.63;
SS_ref_db.v[3] = 0.37;
SS_ref_db.v[4] = 0.63;
SS_ref_db.v[5] = 0.63;
em_data mu_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mu",
"equilibrium" );
em_data cel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cel",
"equilibrium" );
em_data fcel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fcel",
"equilibrium" );
em_data pa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pa",
"equilibrium" );
em_data ma_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ma",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
SS_ref_db.gbase[0] = mu_eq.gb + 1.0;
SS_ref_db.gbase[1] = cel_eq.gb + 5.0;
SS_ref_db.gbase[2] = fcel_eq.gb + 5.0;
SS_ref_db.gbase[3] = pa_eq.gb + 4.0;
SS_ref_db.gbase[4] = ma_eq.gb;
SS_ref_db.gbase[5] = 0.5*andr_eq.gb - 0.5*gr_eq.gb + mu_eq.gb + 25.0;
SS_ref_db.ElShearMod[0] = mu_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = cel_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fcel_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = pa_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = ma_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 0.5*andr_eq.ElShearMod - 0.5*gr_eq.ElShearMod + mu_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mu_eq.C[i];
SS_ref_db.Comp[1][i] = cel_eq.C[i];
SS_ref_db.Comp[2][i] = fcel_eq.C[i];
SS_ref_db.Comp[3][i] = pa_eq.C[i];
SS_ref_db.Comp[4][i] = ma_eq.C[i];
SS_ref_db.Comp[5][i] = 0.5*andr_eq.C[i] - 0.5*gr_eq.C[i] + mu_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_mt
*/
SS_ref G_SS_mp_mt_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"imt","dmt","usp"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 2.4;
SS_ref_db.W[1] = 1.0;
SS_ref_db.W[2] = -5.0;
em_data mt_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mt",
"disordered" );
em_data usp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"usp",
"equilibrium" );
SS_ref_db.gbase[0] = 0.003166*z_b.T + mt_di.gb - 1.8595;
SS_ref_db.gbase[1] = -0.001184*z_b.T + mt_di.gb + 1.3305;
SS_ref_db.gbase[2] = usp_eq.gb;
SS_ref_db.ElShearMod[0] = mt_di.ElShearMod;
SS_ref_db.ElShearMod[1] = mt_di.ElShearMod;
SS_ref_db.ElShearMod[2] = usp_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mt_di.C[i];
SS_ref_db.Comp[1][i] = mt_di.C[i];
SS_ref_db.Comp[2][i] = usp_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[0] = 0.0;
SS_ref_db.d_em[0] = 1.0;
SS_ref_db.z_em[1] = 0.0;
SS_ref_db.d_em[1] = 1.0;
SS_ref_db.bounds_ref[0][0] = 0.0;
SS_ref_db.bounds_ref[0][1] = 0.0;
SS_ref_db.bounds_ref[1][0] = 0.0;
SS_ref_db.bounds_ref[1][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_mu
*/
SS_ref G_SS_mp_mu_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"mut","cel","fcel","pat","ma","fmu"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","n","c"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.2*SS_ref_db.P;
SS_ref_db.W[1] = 0.2*SS_ref_db.P;
SS_ref_db.W[2] = 0.353*SS_ref_db.P + 0.0034*SS_ref_db.T + 10.12;
SS_ref_db.W[3] = 35.0;
SS_ref_db.W[4] = 0.0;
SS_ref_db.W[5] = 0.0;
SS_ref_db.W[6] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[7] = 50.0;
SS_ref_db.W[8] = 0.0;
SS_ref_db.W[9] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[10] = 50.0;
SS_ref_db.W[11] = 0.0;
SS_ref_db.W[12] = 15.0;
SS_ref_db.W[13] = 30.0;
SS_ref_db.W[14] = 35.0;
SS_ref_db.v[0] = 0.63;
SS_ref_db.v[1] = 0.63;
SS_ref_db.v[2] = 0.63;
SS_ref_db.v[3] = 0.37;
SS_ref_db.v[4] = 0.63;
SS_ref_db.v[5] = 0.63;
em_data mu_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mu",
"equilibrium" );
em_data cel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cel",
"equilibrium" );
em_data fcel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fcel",
"equilibrium" );
em_data pa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pa",
"equilibrium" );
em_data ma_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ma",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
SS_ref_db.gbase[0] = mu_eq.gb;
SS_ref_db.gbase[1] = cel_eq.gb;
SS_ref_db.gbase[2] = fcel_eq.gb;
SS_ref_db.gbase[3] = pa_eq.gb;
SS_ref_db.gbase[4] = ma_eq.gb + 5.0;
SS_ref_db.gbase[5] = 0.5*andr_eq.gb - 0.5*gr_eq.gb + mu_eq.gb + 25.0;
SS_ref_db.ElShearMod[0] = mu_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = cel_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fcel_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = pa_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = ma_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 0.5*andr_eq.ElShearMod - 0.5*gr_eq.ElShearMod + mu_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mu_eq.C[i];
SS_ref_db.Comp[1][i] = cel_eq.C[i];
SS_ref_db.Comp[2][i] = fcel_eq.C[i];
SS_ref_db.Comp[3][i] = pa_eq.C[i];
SS_ref_db.Comp[4][i] = ma_eq.C[i];
SS_ref_db.Comp[5][i] = 0.5*andr_eq.C[i] - 0.5*gr_eq.C[i] + mu_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_opx
*/
SS_ref G_SS_mp_opx_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"en","fs","fm","mgts","fopx","mnopx","odi"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","m","y","f","c","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 7.0;
SS_ref_db.W[1] = 4.0;
SS_ref_db.W[2] = 13.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[3] = 11.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[4] = 5.0;
SS_ref_db.W[5] = 0.12*SS_ref_db.P + 32.2;
SS_ref_db.W[6] = 4.0;
SS_ref_db.W[7] = 13.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[8] = 11.6 - 0.15*SS_ref_db.P;
SS_ref_db.W[9] = 4.2;
SS_ref_db.W[10] = 0.084*SS_ref_db.P + 25.54;
SS_ref_db.W[11] = 17.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[12] = 15.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[13] = 5.1;
SS_ref_db.W[14] = 0.084*SS_ref_db.P + 22.54;
SS_ref_db.W[15] = 1.0;
SS_ref_db.W[16] = 12.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[17] = 75.4 - 0.94*SS_ref_db.P;
SS_ref_db.W[18] = 10.6 - 0.15*SS_ref_db.P;
SS_ref_db.W[19] = 73.4 - 0.94*SS_ref_db.P;
SS_ref_db.W[20] = 0.084*SS_ref_db.P + 24.54;
SS_ref_db.v[0] = 1.0;
SS_ref_db.v[1] = 1.0;
SS_ref_db.v[2] = 1.0;
SS_ref_db.v[3] = 1.0;
SS_ref_db.v[4] = 1.0;
SS_ref_db.v[5] = 1.0;
SS_ref_db.v[6] = 1.2;
em_data en_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"en",
"equilibrium" );
em_data fs_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fs",
"equilibrium" );
em_data mgts_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mgts",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data pxmn_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pxmn",
"equilibrium" );
em_data di_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"di",
"equilibrium" );
SS_ref_db.gbase[0] = en_eq.gb;
SS_ref_db.gbase[1] = fs_eq.gb;
SS_ref_db.gbase[2] = 0.5*en_eq.gb + 0.5*fs_eq.gb - 6.6;
SS_ref_db.gbase[3] = mgts_eq.gb;
SS_ref_db.gbase[4] = 0.5*andr_eq.gb - 0.5*gr_eq.gb + mgts_eq.gb + 2.0;
SS_ref_db.gbase[5] = 2.0*pxmn_eq.gb + 6.68;
SS_ref_db.gbase[6] = 0.005*z_b.P + 0.000211*z_b.T + di_eq.gb - 0.1;
SS_ref_db.ElShearMod[0] = en_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fs_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = 0.5*en_eq.ElShearMod + 0.5*fs_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = 0.5*andr_eq.ElShearMod - 0.5*gr_eq.ElShearMod + mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 2.0*pxmn_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = di_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = en_eq.C[i];
SS_ref_db.Comp[1][i] = fs_eq.C[i];
SS_ref_db.Comp[2][i] = 0.5*en_eq.C[i] + 0.5*fs_eq.C[i];
SS_ref_db.Comp[3][i] = mgts_eq.C[i];
SS_ref_db.Comp[4][i] = 0.5*andr_eq.C[i] - 0.5*gr_eq.C[i] + mgts_eq.C[i];
SS_ref_db.Comp[5][i] = 2.0*pxmn_eq.C[i];
SS_ref_db.Comp[6][i] = di_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 2.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_fsp
*/
SS_ref G_SS_mp_fsp_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"ab","an","san"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"ca","k"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = -0.04*SS_ref_db.P - 0.00935*SS_ref_db.T + 14.6;
SS_ref_db.W[1] = 0.338*SS_ref_db.P - 0.00957*SS_ref_db.T + 24.1;
SS_ref_db.W[2] = 48.5 - 0.13*SS_ref_db.P;
SS_ref_db.v[0] = 0.674;
SS_ref_db.v[1] = 0.55;
SS_ref_db.v[2] = 1.0;
em_data ab_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ab",
"equilibrium" );
em_data an_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"an",
"equilibrium" );
em_data san_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"san",
"equilibrium" );
SS_ref_db.gbase[0] = ab_eq.gb;
SS_ref_db.gbase[1] = an_eq.gb;
SS_ref_db.gbase[2] = san_eq.gb;
SS_ref_db.ElShearMod[0] = ab_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = an_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = san_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ab_eq.C[i];
SS_ref_db.Comp[1][i] = an_eq.C[i];
SS_ref_db.Comp[2][i] = san_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_sa
*/
SS_ref G_SS_mp_sa_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"spr4","spr5","fspm","spro","ospr"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 10. - 0.02*SS_ref_db.P;
SS_ref_db.W[1] = 16.;
SS_ref_db.W[2] = 12.;
SS_ref_db.W[3] = 8. - 0.02*SS_ref_db.P;
SS_ref_db.W[4] = 19. - 0.02*SS_ref_db.P;
SS_ref_db.W[5] = 22. - 0.02*SS_ref_db.P;
SS_ref_db.W[6] = 1.;
SS_ref_db.W[7] = 4.;
SS_ref_db.W[8] = 17.6 - 0.02*SS_ref_db.P;
SS_ref_db.W[9] = 20. - 0.02*SS_ref_db.P;
em_data spr4_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"spr4",
"equilibrium" );
em_data spr5_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"spr5",
"equilibrium" );
em_data fspr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fspr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = spr4_eq.gb;
SS_ref_db.gbase[1] = spr5_eq.gb;
SS_ref_db.gbase[2] = fspr_eq.gb - 2.0;
SS_ref_db.gbase[3] = 0.75*fspr_eq.gb + 0.25*spr4_eq.gb - 3.5;
SS_ref_db.gbase[4] = 0.5*andr_eq.gb - 0.5*gr_eq.gb + spr5_eq.gb - 16.0;
SS_ref_db.ElShearMod[0] = spr4_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = spr5_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fspr_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = 0.75*fspr_eq.ElShearMod + 0.25*spr4_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = 0.5*andr_eq.ElShearMod - 0.5*gr_eq.ElShearMod + spr5_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = spr4_eq.C[i];
SS_ref_db.Comp[1][i] = spr5_eq.C[i];
SS_ref_db.Comp[2][i] = fspr_eq.C[i];
SS_ref_db.Comp[3][i] = 0.75*fspr_eq.C[i] + 0.25*spr4_eq.C[i];
SS_ref_db.Comp[4][i] = 0.5*andr_eq.C[i] - 0.5*gr_eq.C[i] + spr5_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = -1.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_sp
*/
SS_ref G_SS_mp_sp_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"herc","sp","mt","usp"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","z"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 16.;
SS_ref_db.W[1] = 2.;
SS_ref_db.W[2] = 20.;
SS_ref_db.W[3] = 18.;
SS_ref_db.W[4] = 36.;
SS_ref_db.W[5] = 30.;
em_data herc_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"herc",
"equilibrium" );
em_data sp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"sp",
"equilibrium" );
em_data mt_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mt",
"equilibrium" );
em_data usp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"usp",
"equilibrium" );
SS_ref_db.gbase[0] = herc_eq.gb;
SS_ref_db.gbase[1] = sp_eq.gb;
SS_ref_db.gbase[2] = mt_eq.gb;
SS_ref_db.gbase[3] = usp_eq.gb;
SS_ref_db.ElShearMod[0] = herc_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = sp_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = mt_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = usp_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = herc_eq.C[i];
SS_ref_db.Comp[1][i] = sp_eq.C[i];
SS_ref_db.Comp[2][i] = mt_eq.C[i];
SS_ref_db.Comp[3][i] = usp_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
SS_ref_db.bounds_ref[1][0] = 0.0;
SS_ref_db.bounds_ref[1][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for mp_st
*/
SS_ref G_SS_mp_st_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"mstm","fst","mnstm","msto","mstt"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","m","f","t"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 16.;
SS_ref_db.W[1] = 12.;
SS_ref_db.W[2] = 2.;
SS_ref_db.W[3] = 20.;
SS_ref_db.W[4] = 8.;
SS_ref_db.W[5] = 18.;
SS_ref_db.W[6] = 36.;
SS_ref_db.W[7] = 14.;
SS_ref_db.W[8] = 32.;
SS_ref_db.W[9] = 30.;
em_data mst_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mst",
"equilibrium" );
em_data fst_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fst",
"equilibrium" );
em_data mnst_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mnst",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data cor_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cor",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
SS_ref_db.gbase[0] = mst_eq.gb - 8.0;
SS_ref_db.gbase[1] = fst_eq.gb;
SS_ref_db.gbase[2] = mnst_eq.gb - 0.19;
SS_ref_db.gbase[3] = andr_eq.gb - gr_eq.gb + mst_eq.gb + 9.0;
SS_ref_db.gbase[4] = -cor_eq.gb + mst_eq.gb + 1.5*ru_eq.gb + 13.0;
SS_ref_db.ElShearMod[0] = mst_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fst_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = mnst_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = andr_eq.ElShearMod - gr_eq.ElShearMod + mst_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = -cor_eq.ElShearMod + mst_eq.ElShearMod + 1.5*ru_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mst_eq.C[i];
SS_ref_db.Comp[1][i] = fst_eq.C[i];
SS_ref_db.Comp[2][i] = mnst_eq.C[i];
SS_ref_db.Comp[3][i] = andr_eq.C[i] - gr_eq.C[i] + mst_eq.C[i];
SS_ref_db.Comp[4][i] = -cor_eq.C[i] + mst_eq.C[i] + 1.5*ru_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for igp_fper_S11
*/
SS_ref G_SS_ig_fper_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"per","wu"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
SS_ref_db.W[0] = 13.0;
em_data per_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"per",
"equilibrium" );
em_data wu_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"wu",
"equilibrium" );
SS_ref_db.gbase[0] = per_eq.gb; //tentative correction to fix Stiruxe data
SS_ref_db.gbase[1] = wu_eq.gb;
SS_ref_db.ElShearMod[0] = per_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = wu_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = per_eq.C[i];
SS_ref_db.Comp[1][i] = wu_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for biotite
*/
SS_ref G_SS_ig_bi_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"phl","annm","obi","eas","tbi","fbi"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","t","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 12.;
SS_ref_db.W[1] = 4.;
SS_ref_db.W[2] = 10.;
SS_ref_db.W[3] = 30.;
SS_ref_db.W[4] = 8.;
SS_ref_db.W[5] = 8.;
SS_ref_db.W[6] = 5.;
SS_ref_db.W[7] = 32.;
SS_ref_db.W[8] = 13.6;
SS_ref_db.W[9] = 7.;
SS_ref_db.W[10] = 24.;
SS_ref_db.W[11] = 5.6;
SS_ref_db.W[12] = 40.0;
SS_ref_db.W[13] = 1.0;
SS_ref_db.W[14] = 40.0;
em_data phl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"phl",
"equilibrium" );
em_data ann_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ann",
"equilibrium" );
em_data east_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"east",
"equilibrium" );
em_data br_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"br",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = phl_eq.gb;
SS_ref_db.gbase[1] = ann_eq.gb - 6.0;
SS_ref_db.gbase[2] = 1./3. * ann_eq.gb + 2./3. * phl_eq.gb - 6.0;
SS_ref_db.gbase[3] = east_eq.gb;
SS_ref_db.gbase[4] = - br_eq.gb + phl_eq.gb + ru_eq.gb + 55.0;
SS_ref_db.gbase[5] = 1./2. * andr_eq.gb + east_eq.gb - 1./2. * gr_eq.gb - 3.0;
SS_ref_db.ElShearMod[0] = phl_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ann_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = 1./3. * ann_eq.ElShearMod + 2./3. * phl_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = east_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = - br_eq.ElShearMod + phl_eq.ElShearMod + ru_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 1./2. * andr_eq.ElShearMod + east_eq.ElShearMod - 1./2. * gr_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = phl_eq.C[i];
SS_ref_db.Comp[1][i] = ann_eq.C[i];
SS_ref_db.Comp[2][i] = 1./3. * ann_eq.C[i] + 2./3. * phl_eq.C[i] ;
SS_ref_db.Comp[3][i] = east_eq.C[i];
SS_ref_db.Comp[4][i] = - br_eq.C[i] + phl_eq.C[i] + ru_eq.C[i] ;
SS_ref_db.Comp[5][i] = 1./2. * andr_eq.C[i] + east_eq.C[i] - 1./2. * gr_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = -1.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
/* this lists the index of the order variables */
SS_ref_db.orderVar = 1;
SS_ref_db.idOrderVar[4] = -1.0;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for clinopyroxene
*/
SS_ref G_SS_ig_cpx_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"di","cfs","cats","crdi","cess","cbuf","jd","cen","cfm","kjd"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","o","n","Q","f","cr","t","k"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 25.8;
SS_ref_db.W[1] = 13.0 - 0.06*SS_ref_db.P;
SS_ref_db.W[2] = 8.0;
SS_ref_db.W[3] = 8.0;
SS_ref_db.W[4] = 8.0;
SS_ref_db.W[5] = 26.0;
SS_ref_db.W[6] = 29.8;
SS_ref_db.W[7] = 20.6;
SS_ref_db.W[8] = 26.0;
SS_ref_db.W[9] = 25.0 - 0.1*SS_ref_db.P;
SS_ref_db.W[10] = 38.3;
SS_ref_db.W[11] = 43.3;
SS_ref_db.W[12] = 24.0;
SS_ref_db.W[13] = 24.0;
SS_ref_db.W[14] = 2.3;
SS_ref_db.W[15] = 3.5;
SS_ref_db.W[16] = 24.0;
SS_ref_db.W[17] = 2.0;
SS_ref_db.W[18] = 2.0;
SS_ref_db.W[19] = 6.0;
SS_ref_db.W[20] = 6.0;
SS_ref_db.W[21] = 45.2 - 0.35*SS_ref_db.P;
SS_ref_db.W[22] = 27.0 - 0.1*SS_ref_db.P;
SS_ref_db.W[23] = 6.0;
SS_ref_db.W[24] = 2.0;
SS_ref_db.W[25] = 6.0;
SS_ref_db.W[26] = 3.0;
SS_ref_db.W[27] = 52.3;
SS_ref_db.W[28] = 40.3;
SS_ref_db.W[29] = 3.0;
SS_ref_db.W[30] = 6.0;
SS_ref_db.W[31] = 3.0;
SS_ref_db.W[32] = 57.3;
SS_ref_db.W[33] = 45.3;
SS_ref_db.W[34] = 3.0;
SS_ref_db.W[35] = 16.0;
SS_ref_db.W[36] = 24.0;
SS_ref_db.W[37] = 22.0;
SS_ref_db.W[38] = 16.0;
SS_ref_db.W[39] = 40.0;
SS_ref_db.W[40] = 40.0;
SS_ref_db.W[41] = 28.0;
SS_ref_db.W[42] = 4.0;
SS_ref_db.W[43] = 40.0;
SS_ref_db.W[44] = 40.0;
SS_ref_db.v[0] = 1.2;
SS_ref_db.v[1] = 1.0;
SS_ref_db.v[2] = 1.9;
SS_ref_db.v[3] = 1.9;
SS_ref_db.v[4] = 1.9;
SS_ref_db.v[5] = 1.9;
SS_ref_db.v[6] = 1.2;
SS_ref_db.v[7] = 1.0;
SS_ref_db.v[8] = 1.0;
SS_ref_db.v[9] = 1.2;
em_data di_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"di",
"equilibrium" );
em_data fs_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fs",
"equilibrium" );
em_data cats_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cats",
"equilibrium" );
em_data kos_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"kos",
"equilibrium" );
em_data jd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"jd",
"equilibrium" );
em_data cats_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cats",
"disordered" );
em_data acm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"acm",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
em_data cor_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cor",
"equilibrium" );
em_data per_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"per",
"equilibrium" );
em_data en_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"en",
"equilibrium" );
em_data abh_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"abh",
"equilibrium" );
em_data san_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"san",
"equilibrium" );
SS_ref_db.gbase[0] = di_eq.gb;
SS_ref_db.gbase[1] = 0.045*SS_ref_db.P - 0.002*SS_ref_db.T + fs_eq.gb + 2.1;
SS_ref_db.gbase[2] = cats_eq.gb;
SS_ref_db.gbase[3] = cats_di.gb - jd_eq.gb + kos_eq.gb - 4.9;
SS_ref_db.gbase[4] = acm_eq.gb + cats_di.gb - jd_eq.gb - 3.45;
SS_ref_db.gbase[5] = -0.005*SS_ref_db.P - 0.0012*SS_ref_db.T - 0.5*cor_eq.gb + cats_di.gb + 0.5*per_eq.gb + 0.5*ru_eq.gb - 16.2;
SS_ref_db.gbase[6] = jd_eq.gb;
SS_ref_db.gbase[7] = 0.048*SS_ref_db.P - 0.002*SS_ref_db.T + en_eq.gb + 3.5;
SS_ref_db.gbase[8] = 0.0465*SS_ref_db.P - 0.002*SS_ref_db.T + 0.5*en_eq.gb + 0.5*fs_eq.gb - 1.6;
SS_ref_db.gbase[9] = 0.6*SS_ref_db.P - abh_eq.gb + jd_eq.gb + san_eq.gb + 11.7;
SS_ref_db.ElShearMod[0] = di_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fs_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = cats_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = cats_di.ElShearMod - jd_eq.ElShearMod + kos_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = acm_eq.ElShearMod + cats_di.ElShearMod - jd_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = -0.5*cor_eq.ElShearMod + cats_di.ElShearMod + 0.5*per_eq.ElShearMod + 0.5*ru_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = jd_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = en_eq.ElShearMod;
SS_ref_db.ElShearMod[8] = 0.5*en_eq.ElShearMod + 0.5*fs_eq.ElShearMod;
SS_ref_db.ElShearMod[9] = -abh_eq.ElShearMod + jd_eq.ElShearMod + san_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = di_eq.C[i];
SS_ref_db.Comp[1][i] = fs_eq.C[i];
SS_ref_db.Comp[2][i] = cats_eq.C[i];
SS_ref_db.Comp[3][i] = cats_di.C[i] - jd_eq.C[i] + kos_eq.C[i];
SS_ref_db.Comp[4][i] = acm_eq.C[i] + cats_di.C[i] - jd_eq.C[i];
SS_ref_db.Comp[5][i] = -0.5*cor_eq.C[i] + cats_di.C[i] + 0.5*per_eq.C[i] + 0.5*ru_eq.C[i];
SS_ref_db.Comp[6][i] = jd_eq.C[i];
SS_ref_db.Comp[7][i] = en_eq.C[i];
SS_ref_db.Comp[8][i] = 0.5*en_eq.C[i] + 0.5*fs_eq.C[i];
SS_ref_db.Comp[9][i] = -abh_eq.C[i] + jd_eq.C[i] + san_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 2.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = -1.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
SS_ref_db.bounds_ref[7][0] = 0.0+eps; SS_ref_db.bounds_ref[7][1] = 1.0-eps;
SS_ref_db.bounds_ref[8][0] = 0.0+eps; SS_ref_db.bounds_ref[8][1] = 1.0-eps;
if (z_b.bulk_rock[9] == 0.){
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[6][0] = 0.0;
SS_ref_db.bounds_ref[6][1] = 0.0;
}
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[5][0] = 0.0;
SS_ref_db.bounds_ref[5][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[7][0] = 0.0;
SS_ref_db.bounds_ref[7][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for cordierite
*/
SS_ref G_SS_ig_cd_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"crd","fcrd","hcrd"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","h"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 6.0;
SS_ref_db.W[1] = 0.0;
SS_ref_db.W[2] = 0.0;
em_data crd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"crd",
"equilibrium" );
em_data fcrd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fcrd",
"equilibrium" );
em_data hcrd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hcrd",
"equilibrium" );
SS_ref_db.gbase[0] = crd_eq.gb;
SS_ref_db.gbase[1] = fcrd_eq.gb;
SS_ref_db.gbase[2] = hcrd_eq.gb;
SS_ref_db.ElShearMod[0] = crd_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fcrd_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = hcrd_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = crd_eq.C[i];
SS_ref_db.Comp[1][i] = fcrd_eq.C[i];
SS_ref_db.Comp[2][i] = hcrd_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for epidote
*/
SS_ref G_SS_ig_ep_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"cz","ep","fep"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"f","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 1.0;
SS_ref_db.W[1] = 3.0;
SS_ref_db.W[2] = 1.0;
em_data cz_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cz",
"equilibrium" );
em_data ep_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ep",
"equilibrium" );
em_data fep_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fep",
"equilibrium" );
SS_ref_db.gbase[0] = cz_eq.gb;
SS_ref_db.gbase[1] = ep_eq.gb;
SS_ref_db.gbase[2] = fep_eq.gb;
SS_ref_db.ElShearMod[0] = cz_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ep_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fep_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = cz_eq.C[i];
SS_ref_db.Comp[1][i] = ep_eq.C[i];
SS_ref_db.Comp[2][i] = fep_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = -0.5+eps; SS_ref_db.bounds_ref[1][1] = 0.5-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.bounds_ref[0][0] = 0.0;
SS_ref_db.bounds_ref[0][1] = 0.0;
SS_ref_db.bounds_ref[1][0] = 0.0;
SS_ref_db.bounds_ref[1][1] = 0.0;
SS_ref_db.z_em[1] = 0.0;
SS_ref_db.d_em[1] = 1.0;
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
}
/* this lists the index of the order variables */
SS_ref_db.orderVar = 1;
SS_ref_db.idOrderVar[1] = -1.0;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ig_flH
*/
SS_ref G_SS_ig_fl_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"qfL","slfL","wofL","fofL","fafL","jdfL","hmfL","ekfL","tifL","kjfL","H2O"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"wo","sl","fo","fa","jd","hm","ek","ti","kj","h2o"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.;
SS_ref_db.W[1] = 0.;
SS_ref_db.W[2] = 0.;
SS_ref_db.W[3] = 0.;
SS_ref_db.W[4] = 0.;
SS_ref_db.W[5] = 0.;
SS_ref_db.W[6] = 0.;
SS_ref_db.W[7] = 0.;
SS_ref_db.W[8] = 0.;
SS_ref_db.W[9] = 59.0 - 0.82*SS_ref_db.P;
SS_ref_db.W[10] = 0.;
SS_ref_db.W[11] = 0.;
SS_ref_db.W[12] = 0.;
SS_ref_db.W[13] = 0.;
SS_ref_db.W[14] = 0.;
SS_ref_db.W[15] = 0.;
SS_ref_db.W[16] = 0.;
SS_ref_db.W[17] = 0.;
SS_ref_db.W[18] = 57.6 - 0.8*SS_ref_db.P;
SS_ref_db.W[19] = 0.;
SS_ref_db.W[20] = 0.;
SS_ref_db.W[21] = 0.;
SS_ref_db.W[22] = 0.;
SS_ref_db.W[23] = 0.;
SS_ref_db.W[24] = 0.;
SS_ref_db.W[25] = 0.;
SS_ref_db.W[26] = 72.2 - 0.67*SS_ref_db.P;
SS_ref_db.W[27] = 0.;
SS_ref_db.W[28] = 0.;
SS_ref_db.W[29] = 0.;
SS_ref_db.W[30] = 0.;
SS_ref_db.W[31] = 0.;
SS_ref_db.W[32] = 0.;
SS_ref_db.W[33] = 71.7 - 1.1*SS_ref_db.P;
SS_ref_db.W[34] = 0.;
SS_ref_db.W[35] = 0.;
SS_ref_db.W[36] = 0.;
SS_ref_db.W[37] = 0.;
SS_ref_db.W[38] = 0.;
SS_ref_db.W[39] = 71.7 - 1.1*SS_ref_db.P;
SS_ref_db.W[40] = 0.;
SS_ref_db.W[41] = 0.;
SS_ref_db.W[42] = 0.;
SS_ref_db.W[43] = 0.;
SS_ref_db.W[44] = 57.0 - 0.79*SS_ref_db.P;
SS_ref_db.W[45] = 0.;
SS_ref_db.W[46] = 0.;
SS_ref_db.W[47] = 0.;
SS_ref_db.W[48] = 73.0 - 0.66*SS_ref_db.P;
SS_ref_db.W[49] = 0.;
SS_ref_db.W[50] = 0.;
SS_ref_db.W[51] = 73.0 - 0.66*SS_ref_db.P;
SS_ref_db.W[52] = 0.;
SS_ref_db.W[53] = 75.0 - 0.67*SS_ref_db.P;
SS_ref_db.W[54] = 44.9 - 1.19*SS_ref_db.P;
em_data qL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"qL",
"equilibrium" );
em_data silL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"silL",
"equilibrium" );
em_data woL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"woL",
"equilibrium" );
em_data foL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"foL",
"equilibrium" );
em_data faL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"faL",
"equilibrium" );
em_data abL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"abL",
"equilibrium" );
em_data hemL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hemL",
"equilibrium" );
em_data eskL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"eskL",
"equilibrium" );
em_data ruL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ruL",
"equilibrium" );
em_data kspL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"kspL",
"equilibrium" );
em_data H2O_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"H2O",
"equilibrium" );
SS_ref_db.gbase[0] = -0.051*SS_ref_db.P + 4.0*qL_eq.gb + 2.1;
SS_ref_db.gbase[1] = -0.313*SS_ref_db.P + silL_eq.gb + 6.72;
SS_ref_db.gbase[2] = -0.12*SS_ref_db.P + woL_eq.gb + 0.22;
SS_ref_db.gbase[3] = -0.136*SS_ref_db.P + 2.0*foL_eq.gb + 8.59;
SS_ref_db.gbase[4] = -0.052*SS_ref_db.P + 2.0*faL_eq.gb + 13.56;
SS_ref_db.gbase[5] = -0.099*SS_ref_db.P + abL_eq.gb - qL_eq.gb + 12.32;
SS_ref_db.gbase[6] = -0.077*SS_ref_db.P + 0.5*hemL_eq.gb + 4.05;
SS_ref_db.gbase[7] = 0.245*SS_ref_db.P + 0.5*eskL_eq.gb + 24.75;
SS_ref_db.gbase[8] = -0.489*SS_ref_db.P + ruL_eq.gb + 5.6;
SS_ref_db.gbase[9] = -0.227*SS_ref_db.P + kspL_eq.gb - qL_eq.gb + 12.88;
SS_ref_db.gbase[10] = H2O_eq.gb;
SS_ref_db.ElShearMod[0] = 4.0*qL_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = silL_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = woL_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = 2.0*foL_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = 2.0*faL_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = abL_eq.ElShearMod - qL_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 0.5*hemL_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = 0.5*eskL_eq.ElShearMod;
SS_ref_db.ElShearMod[8] = ruL_eq.ElShearMod;
SS_ref_db.ElShearMod[9] = kspL_eq.ElShearMod - qL_eq.ElShearMod;
SS_ref_db.ElShearMod[10] = H2O_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = 4.0*qL_eq.C[i];
SS_ref_db.Comp[1][i] = silL_eq.C[i];
SS_ref_db.Comp[2][i] = woL_eq.C[i];
SS_ref_db.Comp[3][i] = 2.0*foL_eq.C[i];
SS_ref_db.Comp[4][i] = 2.0*faL_eq.C[i];
SS_ref_db.Comp[5][i] = abL_eq.C[i] - qL_eq.C[i];
SS_ref_db.Comp[6][i] = 0.5*hemL_eq.C[i];
SS_ref_db.Comp[7][i] = 0.5*eskL_eq.C[i];
SS_ref_db.Comp[8][i] = ruL_eq.C[i];
SS_ref_db.Comp[9][i] = kspL_eq.C[i] - qL_eq.C[i];
SS_ref_db.Comp[10][i] = H2O_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
SS_ref_db.bounds_ref[7][0] = 0.0+eps; SS_ref_db.bounds_ref[7][1] = 1.0-eps;
SS_ref_db.bounds_ref[8][0] = 0.0+eps; SS_ref_db.bounds_ref[8][1] = 1.0-eps;
SS_ref_db.bounds_ref[9][0] = 0.0+eps; SS_ref_db.bounds_ref[9][1] = 1.0-eps;
if (z_b.bulk_rock[10] == 0.){
SS_ref_db.z_em[10] = 0.0;
SS_ref_db.bounds_ref[9][0] = eps;
SS_ref_db.bounds_ref[9][1] = eps;
}
if (z_b.bulk_rock[9] == 0.){
SS_ref_db.z_em[7] = 0.0;
SS_ref_db.d_em[7] = 1.0;
SS_ref_db.bounds_ref[6][0] = 0.0;
SS_ref_db.bounds_ref[6][1] = 0.0;
}
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[6] = 0.0;
SS_ref_db.d_em[6] = 1.0;
SS_ref_db.bounds_ref[5][0] = 0.0;
SS_ref_db.bounds_ref[5][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[8] = 0.0;
SS_ref_db.d_em[8] = 1.0;
SS_ref_db.bounds_ref[7][0] = 0.0;
SS_ref_db.bounds_ref[7][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for garnet
*/
SS_ref G_SS_ig_g_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"py","alm","gr","andr","knom","tig"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","c","f","cr","t"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.1*SS_ref_db.P + 4.0;
SS_ref_db.W[1] = 0.04*SS_ref_db.P - 0.01*SS_ref_db.T + 45.4;
SS_ref_db.W[2] = -0.036*SS_ref_db.P - 0.01*SS_ref_db.T + 107.0;
SS_ref_db.W[3] = 2.0;
SS_ref_db.W[4] = 0;
SS_ref_db.W[5] = 0.1*SS_ref_db.P - 0.01*SS_ref_db.T + 17.0;
SS_ref_db.W[6] = 0.039*SS_ref_db.P - 0.01*SS_ref_db.T + 65.0;
SS_ref_db.W[7] = 0.01*SS_ref_db.P + 6.0;
SS_ref_db.W[8] = 0;
SS_ref_db.W[9] = 2.0;
SS_ref_db.W[10] = 0.18*SS_ref_db.P - 0.01*SS_ref_db.T + 1.0;
SS_ref_db.W[11] = 0;
SS_ref_db.W[12] = 0.1*SS_ref_db.P - 0.01*SS_ref_db.T + 63.0;
SS_ref_db.W[13] = 0;
SS_ref_db.W[14] = 0;
SS_ref_db.v[0] = 1.0;
SS_ref_db.v[1] = 1.0;
SS_ref_db.v[2] = 2.5;
SS_ref_db.v[3] = 2.5;
SS_ref_db.v[4] = 1.0;
SS_ref_db.v[5] = 1.0;
em_data py_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"py",
"equilibrium" );
em_data alm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"alm",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data knor_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"knor",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
em_data per_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"per",
"equilibrium" );
em_data cor_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cor",
"equilibrium" );
SS_ref_db.gbase[0] = py_eq.gb;
SS_ref_db.gbase[1] = alm_eq.gb;
SS_ref_db.gbase[2] = gr_eq.gb;
SS_ref_db.gbase[3] = andr_eq.gb;
SS_ref_db.gbase[4] = knor_eq.gb + 18.2;
SS_ref_db.gbase[5] = -0.0173*SS_ref_db.T - 0.5*cor_eq.gb + 0.5*per_eq.gb + py_eq.gb + 0.5*ru_eq.gb + 46.7;
SS_ref_db.ElShearMod[0] = py_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = alm_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = gr_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = andr_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = knor_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = -0.5*cor_eq.ElShearMod + 0.5*per_eq.ElShearMod + py_eq.ElShearMod + 0.5*ru_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = py_eq.C[i];
SS_ref_db.Comp[1][i] = alm_eq.C[i];
SS_ref_db.Comp[2][i] = gr_eq.C[i];
SS_ref_db.Comp[3][i] = andr_eq.C[i];
SS_ref_db.Comp[4][i] = knor_eq.C[i];
SS_ref_db.Comp[5][i] = -0.5*cor_eq.C[i] + 0.5*per_eq.C[i] + py_eq.C[i] + 0.5*ru_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
if (z_b.bulk_rock[9] == 0.){
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[3] = 0.0;
SS_ref_db.d_em[3] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[4][0] = 0.0;
SS_ref_db.bounds_ref[4][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for horblende
*/
SS_ref G_SS_ig_hb_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"tr","tsm","prgm","glm","cumm","grnm","a","b","mrb","kprg","tts"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","z","a","k","c","f","t","Q1","Q2"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 20.0;
SS_ref_db.W[1] = 25.0;
SS_ref_db.W[2] = 65.0;
SS_ref_db.W[3] = 45.0;
SS_ref_db.W[4] = 75.0;
SS_ref_db.W[5] = 57.0;
SS_ref_db.W[6] = 63.0;
SS_ref_db.W[7] = 52.0;
SS_ref_db.W[8] = 30.0;
SS_ref_db.W[9] = 85.0;
SS_ref_db.W[10] = -40.0;
SS_ref_db.W[11] = 25.0;
SS_ref_db.W[12] = 70.0;
SS_ref_db.W[13] = 80.0;
SS_ref_db.W[14] = 70.0;
SS_ref_db.W[15] = 72.5;
SS_ref_db.W[16] = 20.0;
SS_ref_db.W[17] = -40.0;
SS_ref_db.W[18] = 35.0;
SS_ref_db.W[19] = 50.0;
SS_ref_db.W[20] = 90.0;
SS_ref_db.W[21] = 106.7;
SS_ref_db.W[22] = 94.8;
SS_ref_db.W[23] = 94.8;
SS_ref_db.W[24] = 40.0;
SS_ref_db.W[25] = 8.0;
SS_ref_db.W[26] = 15.0;
SS_ref_db.W[27] = 100.0;
SS_ref_db.W[28] = 113.5;
SS_ref_db.W[29] = 100.0;
SS_ref_db.W[30] = 111.2;
SS_ref_db.W[31] = 0.0;
SS_ref_db.W[32] = 54.0;
SS_ref_db.W[33] = 75.0;
SS_ref_db.W[34] = 33.0;
SS_ref_db.W[35] = 18.0;
SS_ref_db.W[36] = 23.0;
SS_ref_db.W[37] = 80.0;
SS_ref_db.W[38] = 87.0;
SS_ref_db.W[39] = 100.0;
SS_ref_db.W[40] = 12.0;
SS_ref_db.W[41] = 8.0;
SS_ref_db.W[42] = 91.0;
SS_ref_db.W[43] = 96.0;
SS_ref_db.W[44] = 65.0;
SS_ref_db.W[45] = 20.0;
SS_ref_db.W[46] = 80.0;
SS_ref_db.W[47] = 94.0;
SS_ref_db.W[48] = 95.0;
SS_ref_db.W[49] = 90.0;
SS_ref_db.W[50] = 94.0;
SS_ref_db.W[51] = 95.0;
SS_ref_db.W[52] = 50.0;
SS_ref_db.W[53] = 50.0;
SS_ref_db.W[54] = 35.0;
SS_ref_db.v[0] = 1.0;
SS_ref_db.v[1] = 1.5;
SS_ref_db.v[2] = 1.7;
SS_ref_db.v[3] = 0.8;
SS_ref_db.v[4] = 1.0;
SS_ref_db.v[5] = 1.0;
SS_ref_db.v[6] = 1.0;
SS_ref_db.v[7] = 1.0;
SS_ref_db.v[8] = 0.8;
SS_ref_db.v[9] = 1.7;
SS_ref_db.v[10] = 1.5;
em_data tr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"tr",
"equilibrium" );
em_data ts_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ts",
"equilibrium" );
em_data parg_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"parg",
"equilibrium" );
em_data gl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gl",
"equilibrium" );
em_data cumm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cumm",
"equilibrium" );
em_data grun_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"grun",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data pa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pa",
"equilibrium" );
em_data mu_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mu",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
em_data dsp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"dsp",
"equilibrium" );
SS_ref_db.gbase[0] = tr_eq.gb;
SS_ref_db.gbase[1] = ts_eq.gb + 10.0;
SS_ref_db.gbase[2] = parg_eq.gb - 10.0;
SS_ref_db.gbase[3] = gl_eq.gb - 3.0;
SS_ref_db.gbase[4] = cumm_eq.gb;
SS_ref_db.gbase[5] = grun_eq.gb - 3.0;
SS_ref_db.gbase[6] = 3.0/7.0*cumm_eq.gb + 4.0/7.0*grun_eq.gb - 11.2;
SS_ref_db.gbase[7] = 2.0/7.0*cumm_eq.gb + 5.0/7.0*grun_eq.gb - 13.8;
SS_ref_db.gbase[8] = andr_eq.gb + gl_eq.gb - gr_eq.gb;
SS_ref_db.gbase[9] = 0.02*SS_ref_db.T + mu_eq.gb - pa_eq.gb + parg_eq.gb - 7.06;
SS_ref_db.gbase[10] = -2.0*dsp_eq.gb + 2.0*ru_eq.gb + ts_eq.gb + 95.0;
SS_ref_db.ElShearMod[0] = tr_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ts_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = parg_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = gl_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = cumm_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = grun_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 3.0/7.0*cumm_eq.ElShearMod + 4.0/7.0*grun_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = 2.0/7.0*cumm_eq.ElShearMod + 5.0/7.0*grun_eq.ElShearMod;
SS_ref_db.ElShearMod[8] = andr_eq.ElShearMod + gl_eq.ElShearMod - gr_eq.ElShearMod;
SS_ref_db.ElShearMod[9] = mu_eq.ElShearMod - pa_eq.ElShearMod + parg_eq.ElShearMod;
SS_ref_db.ElShearMod[10] = -2.0*dsp_eq.ElShearMod + 2.0*ru_eq.ElShearMod + ts_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = tr_eq.C[i];
SS_ref_db.Comp[1][i] = ts_eq.C[i];
SS_ref_db.Comp[2][i] = parg_eq.C[i];
SS_ref_db.Comp[3][i] = gl_eq.C[i];
SS_ref_db.Comp[4][i] = cumm_eq.C[i];
SS_ref_db.Comp[5][i] = grun_eq.C[i];
SS_ref_db.Comp[6][i] = 3.0/7.0*cumm_eq.C[i] + 4.0/7.0*grun_eq.C[i];
SS_ref_db.Comp[7][i] = 2.0/7.0*cumm_eq.C[i] + 5.0/7.0*grun_eq.C[i];
SS_ref_db.Comp[8][i] = andr_eq.C[i] + gl_eq.C[i] - gr_eq.C[i];
SS_ref_db.Comp[9][i] = mu_eq.C[i] - pa_eq.C[i] + parg_eq.C[i];
SS_ref_db.Comp[10][i] = -2.0*dsp_eq.C[i] + 2.0*ru_eq.C[i] + ts_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
SS_ref_db.bounds_ref[7][0] = 0.0+eps; SS_ref_db.bounds_ref[7][1] = 1.0-eps;
SS_ref_db.bounds_ref[8][0] = -1.0+eps; SS_ref_db.bounds_ref[8][1] = 1.0-eps;
SS_ref_db.bounds_ref[9][0] = -1.0+eps; SS_ref_db.bounds_ref[9][1] = 1.0-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[8] = 0.0;
SS_ref_db.d_em[8] = 1.0;
SS_ref_db.bounds_ref[6][0] = 0.0;
SS_ref_db.bounds_ref[6][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[10] = 0.0;
SS_ref_db.d_em[10] = 1.0;
SS_ref_db.bounds_ref[7][0] = 0.0;
SS_ref_db.bounds_ref[7][1] = 0.0;
}
/* this lists the index of the order variables */
// SS_ref_db.orderVar = 1;
// SS_ref_db.idOrderVar[8] = -1.0;
// SS_ref_db.idOrderVar[9] = -1.0;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ig_ilm
*/
SS_ref G_SS_ig_ilm_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"oilm","dilm","dhem"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 7.05;
SS_ref_db.W[1] = 14.3;
SS_ref_db.W[2] = 7.25;
em_data ilm_or = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ilm",
"ordered" );
em_data ilm_di = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ilm",
"disordered" );
em_data hem_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hem",
"equilibrium" );
SS_ref_db.gbase[0] = ilm_or.gb;
SS_ref_db.gbase[1] = ilm_di.gb;
SS_ref_db.gbase[2] = hem_eq.gb;
SS_ref_db.ElShearMod[0] = ilm_or.ElShearMod;
SS_ref_db.ElShearMod[1] = ilm_di.ElShearMod;
SS_ref_db.ElShearMod[2] = hem_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ilm_or.C[i];
SS_ref_db.Comp[1][i] = ilm_di.C[i];
SS_ref_db.Comp[2][i] = hem_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = -0.99+eps; SS_ref_db.bounds_ref[1][1] = 0.99-eps;
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[2] = 0.0;
SS_ref_db.d_em[2] = 1.0;
SS_ref_db.bounds_ref[0][0] = 1.0;
SS_ref_db.bounds_ref[0][1] = 1.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ig_liqHw
*/
SS_ref G_SS_ig_liq_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"q4L","slL","wo1L","fo2L","fa2L","jdL","hmL","ekL","tiL","kjL","ctL","wat1L"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"wo","sl","fo","fa","jd","hm","ek","ti","kj","yct","h2o"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 9.5 - 0.1*SS_ref_db.P;
SS_ref_db.W[1] = -10.3;
SS_ref_db.W[2] = -3.12*SS_ref_db.P - 26.5;
SS_ref_db.W[3] = -0.55*SS_ref_db.P - 12.0;
SS_ref_db.W[4] = -0.13*SS_ref_db.P - 15.1;
SS_ref_db.W[5] = 20.0;
SS_ref_db.W[6] = 0;
SS_ref_db.W[7] = 24.6;
SS_ref_db.W[8] = -0.05*SS_ref_db.P - 17.8;
SS_ref_db.W[9] = -14.6;
SS_ref_db.W[10] = 17.8 - 0.61*SS_ref_db.P;
SS_ref_db.W[11] = 0.85*SS_ref_db.P - 26.5;
SS_ref_db.W[12] = 2.2;
SS_ref_db.W[13] = 2.5;
SS_ref_db.W[14] = 16.8;
SS_ref_db.W[15] = -5.0;
SS_ref_db.W[16] = 0;
SS_ref_db.W[17] = 15.2 - 0.04*SS_ref_db.P;
SS_ref_db.W[18] = 7.0;
SS_ref_db.W[19] = 4.0;
SS_ref_db.W[20] = 23.7 - 0.94*SS_ref_db.P;
SS_ref_db.W[21] = 0.11*SS_ref_db.P + 25.5;
SS_ref_db.W[22] = 14.0;
SS_ref_db.W[23] = -1.2;
SS_ref_db.W[24] = 0;
SS_ref_db.W[25] = 0;
SS_ref_db.W[26] = 18.0;
SS_ref_db.W[27] = -1.1;
SS_ref_db.W[28] = 9.5;
SS_ref_db.W[29] = 40.3 - 0.86*SS_ref_db.P;
SS_ref_db.W[30] = 18.0;
SS_ref_db.W[31] = 1.5;
SS_ref_db.W[32] = 0;
SS_ref_db.W[33] = 0;
SS_ref_db.W[34] = 7.5;
SS_ref_db.W[35] = 3.0;
SS_ref_db.W[36] = -5.6;
SS_ref_db.W[37] = 9.4 - 1.58*SS_ref_db.P;
SS_ref_db.W[38] = 7.5 - 0.05*SS_ref_db.P;
SS_ref_db.W[39] = -30.0;
SS_ref_db.W[40] = 0;
SS_ref_db.W[41] = 6.7;
SS_ref_db.W[42] = 10.0;
SS_ref_db.W[43] = -6.5;
SS_ref_db.W[44] = 9.2 - 1.58*SS_ref_db.P;
SS_ref_db.W[45] = 10.0;
SS_ref_db.W[46] = 0;
SS_ref_db.W[47] = 0.14*SS_ref_db.P + 16.5;
SS_ref_db.W[48] = -5.9;
SS_ref_db.W[49] = 7.6;
SS_ref_db.W[50] = -0.06*SS_ref_db.P - 8.3;
SS_ref_db.W[51] = 0;
SS_ref_db.W[52] = 0;
SS_ref_db.W[53] = 10.0;
SS_ref_db.W[54] = 0;
SS_ref_db.W[55] = 60.0 - 0.66*SS_ref_db.P;
SS_ref_db.W[56] = 0;
SS_ref_db.W[57] = 0;
SS_ref_db.W[58] = 0;
SS_ref_db.W[59] = 30.0 - 0.66*SS_ref_db.P;
SS_ref_db.W[60] = 9.0;
SS_ref_db.W[61] = 0;
SS_ref_db.W[62] = 30.0 - 0.6*SS_ref_db.P;
SS_ref_db.W[63] = -5.6;
SS_ref_db.W[64] = 0.22*SS_ref_db.P - 0.1;
SS_ref_db.W[65] = 0.05*SS_ref_db.P + 17.3;
SS_ref_db.v[0] = 100.0;
SS_ref_db.v[1] = 120.0;
SS_ref_db.v[2] = 140.0;
SS_ref_db.v[3] = 240.0;
SS_ref_db.v[4] = 100.0;
SS_ref_db.v[5] = 120.0;
SS_ref_db.v[6] = 100.0;
SS_ref_db.v[7] = 100.0;
SS_ref_db.v[8] = 100.0;
SS_ref_db.v[9] = 100.0;
SS_ref_db.v[10] = 100.0;
SS_ref_db.v[11] = 100.0;
em_data qL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"qL",
"equilibrium" );
em_data silL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"silL",
"equilibrium" );
em_data woL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"woL",
"equilibrium" );
em_data foL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"foL",
"equilibrium" );
em_data faL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"faL",
"equilibrium" );
em_data abL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"abL",
"equilibrium" );
em_data hemL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"hemL",
"equilibrium" );
em_data eskL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"eskL",
"equilibrium" );
em_data ruL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ruL",
"equilibrium" );
em_data kspL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"kspL",
"equilibrium" );
em_data h2oL_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"h2oL",
"equilibrium" );
SS_ref_db.gbase[0] = -0.059*SS_ref_db.P + 4.0*qL_eq.gb + 0.22;
SS_ref_db.gbase[1] = -0.318*SS_ref_db.P + silL_eq.gb + 6.2;
SS_ref_db.gbase[2] = -0.114*SS_ref_db.P + woL_eq.gb - 0.45;
SS_ref_db.gbase[3] = -0.131*SS_ref_db.P + 2.0*foL_eq.gb + 8.67;
SS_ref_db.gbase[4] = -0.055*SS_ref_db.P + 2.0*faL_eq.gb + 13.7;
SS_ref_db.gbase[5] = -0.089*SS_ref_db.P + abL_eq.gb -qL_eq.gb + 12.19;
SS_ref_db.gbase[6] = -0.032*SS_ref_db.P + 0.5*hemL_eq.gb + 3.3;
SS_ref_db.gbase[7] = 0.245*SS_ref_db.P + 0.5*eskL_eq.gb + 24.85;
SS_ref_db.gbase[8] = -0.489*SS_ref_db.P + ruL_eq.gb + 5.58;
SS_ref_db.gbase[9] = -0.21*SS_ref_db.P + kspL_eq.gb -qL_eq.gb + 11.98;
SS_ref_db.gbase[10] = 0.053*SS_ref_db.P + 0.055*SS_ref_db.T -qL_eq.gb + silL_eq.gb + woL_eq.gb - 108.3;
SS_ref_db.gbase[11] = 0.00087*SS_ref_db.P - 0.0039*SS_ref_db.T + h2oL_eq.gb + 3.2;
SS_ref_db.ElShearMod[0] = 4.0*qL_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = silL_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = woL_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = 2.0*foL_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = 2.0*faL_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = abL_eq.ElShearMod -qL_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = 0.5*hemL_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = 0.5*eskL_eq.ElShearMod;
SS_ref_db.ElShearMod[8] = ruL_eq.ElShearMod;
SS_ref_db.ElShearMod[9] = kspL_eq.ElShearMod -qL_eq.ElShearMod;
SS_ref_db.ElShearMod[10] = -qL_eq.ElShearMod + silL_eq.ElShearMod + woL_eq.ElShearMod;
SS_ref_db.ElShearMod[11] = h2oL_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = 4.0*qL_eq.C[i];
SS_ref_db.Comp[1][i] = silL_eq.C[i];
SS_ref_db.Comp[2][i] = woL_eq.C[i];
SS_ref_db.Comp[3][i] = 2.0*foL_eq.C[i];
SS_ref_db.Comp[4][i] = 2.0*faL_eq.C[i];
SS_ref_db.Comp[5][i] = abL_eq.C[i] -qL_eq.C[i];
SS_ref_db.Comp[6][i] = 0.5*hemL_eq.C[i];
SS_ref_db.Comp[7][i] = 0.5*eskL_eq.C[i];
SS_ref_db.Comp[8][i] = ruL_eq.C[i];
SS_ref_db.Comp[9][i] = kspL_eq.C[i] -qL_eq.C[i];
SS_ref_db.Comp[10][i] = -qL_eq.C[i] + silL_eq.C[i] + woL_eq.C[i];
SS_ref_db.Comp[11][i] = h2oL_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
SS_ref_db.bounds_ref[7][0] = 0.0+eps; SS_ref_db.bounds_ref[7][1] = 1.0-eps;
SS_ref_db.bounds_ref[8][0] = 0.0+eps; SS_ref_db.bounds_ref[8][1] = 1.0-eps;
SS_ref_db.bounds_ref[9][0] = 0.0+eps; SS_ref_db.bounds_ref[9][1] = 1.0-eps;
SS_ref_db.bounds_ref[10][0] = 0.0+eps; SS_ref_db.bounds_ref[10][1] = 1.0-eps;
if (z_b.bulk_rock[10] == 0.){
SS_ref_db.z_em[11] = 0.0;
SS_ref_db.d_em[11] = 1.0;
SS_ref_db.bounds_ref[10][0] = 0.0;
SS_ref_db.bounds_ref[10][1] = 0.0;
}
if (z_b.bulk_rock[9] == 0.){
SS_ref_db.z_em[7] = 0.0;
SS_ref_db.d_em[7] = 1.0;
SS_ref_db.bounds_ref[6][0] = 0.0;
SS_ref_db.bounds_ref[6][1] = 0.0;
}
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[6] = 0.0;
SS_ref_db.d_em[6] = 1.0;
SS_ref_db.bounds_ref[5][0] = 0.0;
SS_ref_db.bounds_ref[5][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[8] = 0.0;
SS_ref_db.d_em[8] = 1.0;
SS_ref_db.bounds_ref[7][0] = 0.0;
SS_ref_db.bounds_ref[7][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for muscovite
*/
SS_ref G_SS_ig_mu_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"mu","cel","fcel","pa","mam","fmu"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","n","c"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.2*SS_ref_db.P;
SS_ref_db.W[1] = 0.2*SS_ref_db.P;
SS_ref_db.W[2] = 0.353*SS_ref_db.P + 0.0034*SS_ref_db.T + 10.12;
SS_ref_db.W[3] = 35.0;
SS_ref_db.W[4] = 0.0;
SS_ref_db.W[5] = 0.0;
SS_ref_db.W[6] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[7] = 50.0;
SS_ref_db.W[8] = 0.0;
SS_ref_db.W[9] = 0.25*SS_ref_db.P + 45.0;
SS_ref_db.W[10] = 50.0;
SS_ref_db.W[11] = 0.0;
SS_ref_db.W[12] = 15.0;
SS_ref_db.W[13] = 30.0;
SS_ref_db.W[14] = 35.0;
SS_ref_db.v[0] = 0.63;
SS_ref_db.v[1] = 0.63;
SS_ref_db.v[2] = 0.63;
SS_ref_db.v[3] = 0.37;
SS_ref_db.v[4] = 0.63;
SS_ref_db.v[5] = 0.63;
em_data mu_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mu",
"equilibrium" );
em_data cel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cel",
"equilibrium" );
em_data fcel_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fcel",
"equilibrium" );
em_data pa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"pa",
"equilibrium" );
em_data ma_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ma",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = mu_eq.gb;
SS_ref_db.gbase[1] = cel_eq.gb;
SS_ref_db.gbase[2] = fcel_eq.gb;
SS_ref_db.gbase[3] = pa_eq.gb;
SS_ref_db.gbase[4] = ma_eq.gb + 5.0; //6.5 from Eleanor?
SS_ref_db.gbase[5] = 0.5*andr_eq.gb - 0.5*gr_eq.gb + mu_eq.gb + 25.0;
SS_ref_db.ElShearMod[0] = mu_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = cel_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fcel_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = pa_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = ma_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = 0.5*andr_eq.ElShearMod - 0.5*gr_eq.ElShearMod + mu_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mu_eq.C[i];
SS_ref_db.Comp[1][i] = cel_eq.C[i];
SS_ref_db.Comp[2][i] = fcel_eq.C[i];
SS_ref_db.Comp[3][i] = pa_eq.C[i];
SS_ref_db.Comp[4][i] = ma_eq.C[i];
SS_ref_db.Comp[5][i] = 0.5*andr_eq.C[i] - 0.5*gr_eq.C[i] + mu_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
/* define box bounds according to bulk-rock */
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.bounds_ref[2][0] = eps;
SS_ref_db.bounds_ref[2][1] = eps;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for olivine
*/
SS_ref G_SS_ig_ol_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"mont","fa","fo","cfm"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","c","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 24.0;
SS_ref_db.W[1] = 38.0;
SS_ref_db.W[2] = 24.0;
SS_ref_db.W[3] = 9.0;
SS_ref_db.W[4] = 4.5;
SS_ref_db.W[5] = 4.5;
em_data mont_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mont",
"equilibrium" );
em_data fa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fa",
"equilibrium" );
em_data fo_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fo",
"equilibrium" );
SS_ref_db.gbase[0] = mont_eq.gb;
SS_ref_db.gbase[1] = fa_eq.gb;
SS_ref_db.gbase[2] = fo_eq.gb;
SS_ref_db.gbase[3] = 0.5*fa_eq.gb + 0.5*fo_eq.gb;
SS_ref_db.ElShearMod[0] = mont_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fa_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fo_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = 0.5*fa_eq.ElShearMod + 0.5*fo_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = mont_eq.C[i];
SS_ref_db.Comp[1][i] = fa_eq.C[i];
SS_ref_db.Comp[2][i] = fo_eq.C[i];
SS_ref_db.Comp[3][i] = 0.5*fa_eq.C[i] + 0.5*fo_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = -0.5+eps; SS_ref_db.bounds_ref[2][1] = 0.5-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for orthopyroxene
*/
SS_ref G_SS_ig_opx_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"en","fs","fm","odi","mgts","cren","obuf","mess","ojd"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","c","Q","f","t","cr","j"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 7.0;
SS_ref_db.W[1] = 4.0;
SS_ref_db.W[2] = 29.4;
SS_ref_db.W[3] = 12.5 - 0.04*SS_ref_db.P;
SS_ref_db.W[4] = 8.0;
SS_ref_db.W[5] = 6.0;
SS_ref_db.W[6] = 8.0;
SS_ref_db.W[7] = 35.0;
SS_ref_db.W[8] = 4.0;
SS_ref_db.W[9] = 0.08*SS_ref_db.P + 21.5;
SS_ref_db.W[10] = 11.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[11] = 10.0;
SS_ref_db.W[12] = 7.0;
SS_ref_db.W[13] = 10.0;
SS_ref_db.W[14] = 35.0;
SS_ref_db.W[15] = 0.08*SS_ref_db.P + 18.0;
SS_ref_db.W[16] = 15.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[17] = 12.0;
SS_ref_db.W[18] = 8.0;
SS_ref_db.W[19] = 12.0;
SS_ref_db.W[20] = 35.0;
SS_ref_db.W[21] = 75.5 - 0.84*SS_ref_db.P;
SS_ref_db.W[22] = 20.0;
SS_ref_db.W[23] = 40.0;
SS_ref_db.W[24] = 20.0;
SS_ref_db.W[25] = 35.0;
SS_ref_db.W[26] = 2.0;
SS_ref_db.W[27] = 10.0;
SS_ref_db.W[28] = 2.0;
SS_ref_db.W[29] = 7.0;
SS_ref_db.W[30] = 6.0;
SS_ref_db.W[31] = 2.0;
SS_ref_db.W[32] = -11.0;
SS_ref_db.W[33] = 6.0;
SS_ref_db.W[34] = 20.0;
SS_ref_db.W[35] = -11.0;
SS_ref_db.v[0] = 1.0;
SS_ref_db.v[1] = 1.0;
SS_ref_db.v[2] = 1.0;
SS_ref_db.v[3] = 1.2;
SS_ref_db.v[4] = 1.0;
SS_ref_db.v[5] = 1.0;
SS_ref_db.v[6] = 1.0;
SS_ref_db.v[7] = 1.0;
SS_ref_db.v[8] = 1.2;
em_data en_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"en",
"equilibrium" );
em_data fs_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fs",
"equilibrium" );
em_data di_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"di",
"equilibrium" );
em_data mgts_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mgts",
"equilibrium" );
em_data kos_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"kos",
"equilibrium" );
em_data jd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"jd",
"equilibrium" );
em_data ru_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ru",
"equilibrium" );
em_data cor_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"cor",
"equilibrium" );
em_data per_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"per",
"equilibrium" );
em_data acm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"acm",
"equilibrium" );
SS_ref_db.gbase[0] = en_eq.gb;
SS_ref_db.gbase[1] = fs_eq.gb;
SS_ref_db.gbase[2] = 0.5*en_eq.gb + 0.5*fs_eq.gb - 6.6;
SS_ref_db.gbase[3] = 0.005*SS_ref_db.P + di_eq.gb + 2.8;
SS_ref_db.gbase[4] = mgts_eq.gb;
SS_ref_db.gbase[5] = 0.05*SS_ref_db.P + 0.0155*SS_ref_db.T - jd_eq.gb + kos_eq.gb + mgts_eq.gb - 25.9;
SS_ref_db.gbase[6] = -0.0061*SS_ref_db.P - 0.0051*SS_ref_db.T - 0.5*cor_eq.gb + 0.5*per_eq.gb + mgts_eq.gb + 0.5*ru_eq.gb - 5.0;
SS_ref_db.gbase[7] = -0.089*SS_ref_db.P + acm_eq.gb - jd_eq.gb + mgts_eq.gb + 4.8;
SS_ref_db.gbase[8] = jd_eq.gb + 18.8;
SS_ref_db.ElShearMod[0] = en_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fs_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = 0.5*en_eq.ElShearMod + 0.5*fs_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = di_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = -jd_eq.ElShearMod + kos_eq.ElShearMod + mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = -0.5*cor_eq.ElShearMod + 0.5*per_eq.ElShearMod + mgts_eq.ElShearMod + 0.5*ru_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = acm_eq.ElShearMod - jd_eq.ElShearMod + mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[8] = jd_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = en_eq.C[i];
SS_ref_db.Comp[1][i] = fs_eq.C[i];
SS_ref_db.Comp[2][i] = 0.5*en_eq.C[i] + 0.5*fs_eq.C[i];
SS_ref_db.Comp[3][i] = di_eq.C[i];
SS_ref_db.Comp[4][i] = mgts_eq.C[i];
SS_ref_db.Comp[5][i] = -jd_eq.C[i] + kos_eq.C[i] + mgts_eq.C[i];
SS_ref_db.Comp[6][i] = -0.5*cor_eq.C[i] + 0.5*per_eq.C[i] + mgts_eq.C[i] + 0.5*ru_eq.C[i];
SS_ref_db.Comp[7][i] = acm_eq.C[i] - jd_eq.C[i] + mgts_eq.C[i];
SS_ref_db.Comp[8][i] = jd_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 2.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = -1.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = 0.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = 0.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = 0.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
SS_ref_db.bounds_ref[7][0] = 0.0+eps; SS_ref_db.bounds_ref[7][1] = 1.0-eps;
if (z_b.bulk_rock[9] == 0.){
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[6][0] = 0.0;
SS_ref_db.bounds_ref[6][1] = 0.0;
}
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[7] = 0.0;
SS_ref_db.d_em[7] = 1.0;
SS_ref_db.bounds_ref[4][0] = 0.0;
SS_ref_db.bounds_ref[4][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[6] = 0.0;
SS_ref_db.d_em[6] = 1.0;
SS_ref_db.bounds_ref[5][0] = 0.0;
SS_ref_db.bounds_ref[5][1] = 0.0;
}
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for plagioclase4T (late 2021 update of TC, given by Eleanor)
*/
SS_ref G_SS_ig_fsp_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"ab","an","san"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"ca","k"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = -0.04*SS_ref_db.P - 0.00935*SS_ref_db.T + 14.6;
SS_ref_db.W[1] = 0.338*SS_ref_db.P - 0.00957*SS_ref_db.T + 24.1;
SS_ref_db.W[2] = 48.5 - 0.13*SS_ref_db.P;
SS_ref_db.v[0] = 0.674;
SS_ref_db.v[1] = 0.55;
SS_ref_db.v[2] = 1.0;
em_data ab_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ab",
"equilibrium" );
em_data an_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"an",
"equilibrium" );
em_data san_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"san",
"equilibrium" );
SS_ref_db.gbase[0] = ab_eq.gb;
SS_ref_db.gbase[1] = an_eq.gb;
SS_ref_db.gbase[2] = san_eq.gb;
SS_ref_db.ElShearMod[0] = ab_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = an_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = san_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ab_eq.C[i];
SS_ref_db.Comp[1][i] = an_eq.C[i];
SS_ref_db.Comp[2][i] = san_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for spinel
*/
SS_ref G_SS_ig_spn_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"nsp","isp","nhc","ihc","nmt","imt","pcr","qndm"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","c","t","Q1","Q2","Q3"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = -8.2;
SS_ref_db.W[1] = 3.5;
SS_ref_db.W[2] = -13.0;
SS_ref_db.W[3] = 43.2;
SS_ref_db.W[4] = 49.1;
SS_ref_db.W[5] = -5.0;
SS_ref_db.W[6] = 22.5;
SS_ref_db.W[7] = 4.4;
SS_ref_db.W[8] = -6.0;
SS_ref_db.W[9] = 36.8;
SS_ref_db.W[10] = 20.0;
SS_ref_db.W[11] = 14.0;
SS_ref_db.W[12] = 21.5;
SS_ref_db.W[13] = -8.2;
SS_ref_db.W[14] = 18.1;
SS_ref_db.W[15] = 49.0;
SS_ref_db.W[16] = -19.0;
SS_ref_db.W[17] = 35.1;
SS_ref_db.W[18] = -4.0;
SS_ref_db.W[19] = 7.6;
SS_ref_db.W[20] = -11.0;
SS_ref_db.W[21] = 9.0;
SS_ref_db.W[22] = 18.1;
SS_ref_db.W[23] = 11.9;
SS_ref_db.W[24] = 62.2;
SS_ref_db.W[25] = -6.4;
SS_ref_db.W[26] = 24.3;
SS_ref_db.W[27] = 60.0;
em_data sp_or = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"sp",
"ordered" );
em_data herc_or = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"herc",
"ordered" );
em_data mt_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mt",
"equilibrium" );
em_data picr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"picr",
"equilibrium" );
em_data qnd_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"qnd",
"equilibrium" );
SS_ref_db.gbase[0] = sp_or.gb;
SS_ref_db.gbase[1] = -0.005763*SS_ref_db.T + sp_or.gb + 23.6;
SS_ref_db.gbase[2] = herc_or.gb;
SS_ref_db.gbase[3] = -0.005763*SS_ref_db.T + herc_or.gb + 23.6;
SS_ref_db.gbase[4] = 0.005763*SS_ref_db.T + mt_eq.gb;
SS_ref_db.gbase[5] = mt_eq.gb + 0.3;
SS_ref_db.gbase[6] = picr_eq.gb;
SS_ref_db.gbase[7] = qnd_eq.gb - 30.0;
SS_ref_db.ElShearMod[0] = sp_or.ElShearMod;
SS_ref_db.ElShearMod[1] = sp_or.ElShearMod;
SS_ref_db.ElShearMod[2] = herc_or.ElShearMod;
SS_ref_db.ElShearMod[3] = herc_or.ElShearMod;
SS_ref_db.ElShearMod[4] = mt_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = mt_eq.ElShearMod;
SS_ref_db.ElShearMod[6] = picr_eq.ElShearMod;
SS_ref_db.ElShearMod[7] = qnd_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = sp_or.C[i];
SS_ref_db.Comp[1][i] = sp_or.C[i];
SS_ref_db.Comp[2][i] = herc_or.C[i];
SS_ref_db.Comp[3][i] = herc_or.C[i];
SS_ref_db.Comp[4][i] = mt_eq.C[i];
SS_ref_db.Comp[5][i] = mt_eq.C[i];
SS_ref_db.Comp[6][i] = picr_eq.C[i];
SS_ref_db.Comp[7][i] = qnd_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = -1.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = -1.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
SS_ref_db.bounds_ref[6][0] = -1.0+eps; SS_ref_db.bounds_ref[6][1] = 1.0-eps;
if (z_b.bulk_rock[9] == 0.){
SS_ref_db.z_em[6] = 0.0;
SS_ref_db.d_em[6] = 1.0;
SS_ref_db.bounds_ref[2][0] = 0.0;
SS_ref_db.bounds_ref[2][1] = 0.0;
}
if (z_b.bulk_rock[8] == 0.){
SS_ref_db.z_em[4] = 0.0;
SS_ref_db.d_em[4] = 1.0;
SS_ref_db.z_em[5] = 0.0;
SS_ref_db.d_em[5] = 1.0;
SS_ref_db.bounds_ref[6][0] = 0.0;
SS_ref_db.bounds_ref[6][1] = 0.0;
SS_ref_db.bounds_ref[1][0] = 0.0;
SS_ref_db.bounds_ref[1][1] = 0.0;
}
if (z_b.bulk_rock[7] == 0.){
SS_ref_db.z_em[7] = 0.0;
SS_ref_db.d_em[7] = 1.0;
SS_ref_db.bounds_ref[3][0] = 0.0;
SS_ref_db.bounds_ref[3][1] = 0.0;
}
/* this lists the index of the order variables */
SS_ref_db.orderVar = 1;
SS_ref_db.idOrderVar[4] = -1.0;
SS_ref_db.idOrderVar[5] = -1.0;
SS_ref_db.idOrderVar[6] = -1.0;
return SS_ref_db;
}
/**************************************************************************************/
/**************************************************************************************/
/*********************Evan&Frost DATABASE (Evans&Frost , 2021)*************************/
/**************************************************************************************/
/**************************************************************************************/
[docs]/**
retrieve reference thermodynamic data for ev_fluid
*/
SS_ref G_SS_um_fluid_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"H2","H2O"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
em_data H2_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"H2",
"equilibrium" );
em_data H2O_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"H2O",
"equilibrium" );
SS_ref_db.gbase[0] = H2_eq.gb;
SS_ref_db.gbase[1] = H2O_eq.gb;
SS_ref_db.ElShearMod[0] = H2_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = H2O_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = H2_eq.C[i];
SS_ref_db.Comp[1][i] = H2O_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 0.01-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_ol
*/
SS_ref G_SS_um_ol_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"fo","fa"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 8.0;
em_data fo_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fo",
"equilibrium" );
em_data fa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fa",
"equilibrium" );
SS_ref_db.gbase[0] = fo_eq.gb;
SS_ref_db.gbase[1] = fa_eq.gb;
SS_ref_db.ElShearMod[0] = fo_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fa_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = fo_eq.C[i];
SS_ref_db.Comp[1][i] = fa_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_br
*/
SS_ref G_SS_um_br_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"br","fbr"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
em_data br_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"br",
"equilibrium" );
em_data fo_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fo",
"equilibrium" );
em_data fa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fa",
"equilibrium" );
SS_ref_db.gbase[0] = br_eq.gb;
SS_ref_db.gbase[1] = br_eq.gb + fa_eq.gb/2.0 - fo_eq.gb/2.0 + 2.0;
SS_ref_db.ElShearMod[0] = br_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = br_eq.ElShearMod + fa_eq.ElShearMod/2.0 - fo_eq.ElShearMod/2.0;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = br_eq.C[i];
SS_ref_db.Comp[1][i] = br_eq.C[i] + fa_eq.C[i]/2.0 - fo_eq.C[i]/2.0;
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_ch
*/
SS_ref G_SS_um_ch_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"chum","chuf"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 36.000;
em_data chum_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"chum",
"equilibrium" );
em_data fo_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fo",
"equilibrium" );
em_data fa_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fa",
"equilibrium" );
SS_ref_db.gbase[0] = chum_eq.gb;
SS_ref_db.gbase[1] = chum_eq.gb + 9.0*fa_eq.gb/2.0 - 9.0*fo_eq.gb/2.0 - 5.0;
SS_ref_db.ElShearMod[0] = chum_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = chum_eq.ElShearMod + 9.0*fa_eq.ElShearMod/2.0 - 9.0*fo_eq.ElShearMod/2.0;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = chum_eq.C[i];
SS_ref_db.Comp[1][i] = chum_eq.C[i] + 9.0*fa_eq.C[i]/2.0 - 9.0*fo_eq.C[i]/2.0;
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_atg
*/
SS_ref G_SS_um_atg_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"atgf","fatg","atgo","aatg","oatg"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","t"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 12.000;
SS_ref_db.W[1] = 4.0;
SS_ref_db.W[2] = 10.000;
SS_ref_db.W[3] = 8.0;
SS_ref_db.W[4] = 8.0;
SS_ref_db.W[5] = 15.000;
SS_ref_db.W[6] = 13.600;
SS_ref_db.W[7] = 7.0;
SS_ref_db.W[8] = 5.6000;
SS_ref_db.W[9] = 2.0;
em_data atg_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"atg",
"equilibrium" );
em_data fta_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fta",
"equilibrium" );
em_data ta_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ta",
"equilibrium" );
em_data tats_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"tats",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
SS_ref_db.gbase[0] = atg_eq.gb/16.0;
SS_ref_db.gbase[1] = atg_eq.gb/16.0 + fta_eq.gb - ta_eq.gb - 28.0;
SS_ref_db.gbase[2] = atg_eq.gb/16.0 + fta_eq.gb/3.0 - ta_eq.gb/3.0 - 11.33;
SS_ref_db.gbase[3] = atg_eq.gb/16.0 - ta_eq.gb + tats_eq.gb - 36.0;
SS_ref_db.gbase[4] = andr_eq.gb/2.0 + atg_eq.gb/16.0 - gr_eq.gb/2.0 - ta_eq.gb + tats_eq.gb - 5.0;
SS_ref_db.ElShearMod[0] = atg_eq.ElShearMod/16.0;
SS_ref_db.ElShearMod[1] = atg_eq.ElShearMod/16.0 + fta_eq.ElShearMod - ta_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = atg_eq.ElShearMod/16.0 + fta_eq.ElShearMod/3.0 - ta_eq.ElShearMod/3.0;
SS_ref_db.ElShearMod[3] = atg_eq.ElShearMod/16.0 - ta_eq.ElShearMod + tats_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = andr_eq.ElShearMod/2.0 + atg_eq.ElShearMod/16.0 - gr_eq.ElShearMod/2.0 - ta_eq.ElShearMod + tats_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = atg_eq.C[i]/16.0;
SS_ref_db.Comp[1][i] = atg_eq.C[i]/16.0 + fta_eq.C[i] - ta_eq.C[i];
SS_ref_db.Comp[2][i] = atg_eq.C[i]/16.0 + fta_eq.C[i]/3.0 - ta_eq.C[i]/3.0;
SS_ref_db.Comp[3][i] = atg_eq.C[i]/16.0 - ta_eq.C[i] + tats_eq.C[i];
SS_ref_db.Comp[4][i] = andr_eq.C[i]/2.0 + atg_eq.C[i]/16.0 - gr_eq.C[i]/2.0 - ta_eq.C[i] + tats_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = -1.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_g
*/
SS_ref G_SS_um_g_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"py","alm"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.1*SS_ref_db.P + 4.0;
em_data py_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"py",
"equilibrium" );
em_data alm_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"alm",
"equilibrium" );
SS_ref_db.gbase[0] = py_eq.gb;
SS_ref_db.gbase[1] = alm_eq.gb;
SS_ref_db.ElShearMod[0] = py_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = alm_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = py_eq.C[i];
SS_ref_db.Comp[1][i] = alm_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
//!!! RANGE MISSING, WAIT FOR UPDATE !!!
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_ta
*/
SS_ref G_SS_um_ta_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"ta","fta","tao","tats","ota","tap"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","v","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 12.000;
SS_ref_db.W[1] = 8.0;
SS_ref_db.W[2] = 10.000;
SS_ref_db.W[3] = 9.5000;
SS_ref_db.W[4] = 55.000;
SS_ref_db.W[5] = 4.0;
SS_ref_db.W[6] = 16.500;
SS_ref_db.W[7] = 16.300;
SS_ref_db.W[8] = 43.000;
SS_ref_db.W[9] = 12.500;
SS_ref_db.W[10] = 12.300;
SS_ref_db.W[11] = 52.000;
SS_ref_db.W[12] = 0.50;
SS_ref_db.W[13] = 65.000;
SS_ref_db.W[14] = 66.500;
em_data ta_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ta",
"equilibrium" );
em_data fta_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fta",
"equilibrium" );
em_data tats_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"tats",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data tap_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"tap",
"equilibrium" );
SS_ref_db.gbase[0] = ta_eq.gb;
SS_ref_db.gbase[1] = fta_eq.gb;
SS_ref_db.gbase[2] = 2.0*fta_eq.gb/3.0 + ta_eq.gb/3.0 - 2.0;
SS_ref_db.gbase[3] = tats_eq.gb;
SS_ref_db.gbase[4] = andr_eq.gb/2.0 - gr_eq.gb/2.0 + tats_eq.gb + 4.0;
SS_ref_db.gbase[5] = tap_eq.gb;
SS_ref_db.ElShearMod[0] = ta_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fta_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = 2.0*fta_eq.ElShearMod/3.0 + ta_eq.ElShearMod/3.0;
SS_ref_db.ElShearMod[3] = tats_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = andr_eq.ElShearMod/2.0 - gr_eq.ElShearMod/2.0 + tats_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = tap_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = ta_eq.C[i];
SS_ref_db.Comp[1][i] = fta_eq.C[i];
SS_ref_db.Comp[2][i] = 2.0*fta_eq.C[i]/3.0 + ta_eq.C[i]/3.0;
SS_ref_db.Comp[3][i] = tats_eq.C[i];
SS_ref_db.Comp[4][i] = andr_eq.C[i]/2.0 - gr_eq.C[i]/2.0 + tats_eq.C[i];
SS_ref_db.Comp[5][i] = tap_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = -1.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_chl
*/
SS_ref G_SS_um_chl_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"clin","afchl","ames","daph","ochl1","ochl4","f3clin"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","m","t","QA1","Q1","Q4"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 17.00;
SS_ref_db.W[1] = 17.00;
SS_ref_db.W[2] = 20.00;
SS_ref_db.W[3] = 30.00;
SS_ref_db.W[4] = 21.00;
SS_ref_db.W[5] = 2.000;
SS_ref_db.W[6] = 16.00;
SS_ref_db.W[7] = 37.00;
SS_ref_db.W[8] = 20.00;
SS_ref_db.W[9] = 4.000;
SS_ref_db.W[10] = 15.00;
SS_ref_db.W[11] = 30.00;
SS_ref_db.W[12] = 29.00;
SS_ref_db.W[13] = 13.00;
SS_ref_db.W[14] = 19.00;
SS_ref_db.W[15] = 18.00;
SS_ref_db.W[16] = 33.00;
SS_ref_db.W[17] = 22.00;
SS_ref_db.W[18] = 24.00;
SS_ref_db.W[19] = 28.60;
SS_ref_db.W[20] = 19.00;
em_data clin_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"clin",
"equilibrium" );
em_data afchl_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"afchl",
"equilibrium" );
em_data ames_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ames",
"equilibrium" );
em_data daph_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"daph",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
SS_ref_db.gbase[0] = clin_eq.gb;
SS_ref_db.gbase[1] = afchl_eq.gb;
SS_ref_db.gbase[2] = ames_eq.gb;
SS_ref_db.gbase[3] = daph_eq.gb;
SS_ref_db.gbase[4] = afchl_eq.gb - clin_eq.gb + daph_eq.gb + 3.0;
SS_ref_db.gbase[5] = afchl_eq.gb - clin_eq.gb/5.0 + daph_eq.gb/5 + 2.4;
SS_ref_db.gbase[6] = andr_eq.gb/2.0 + clin_eq.gb - gr_eq.gb/2.0 + 40;
SS_ref_db.ElShearMod[0] = clin_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = afchl_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = ames_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = daph_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = afchl_eq.ElShearMod - clin_eq.ElShearMod + daph_eq.ElShearMod;
SS_ref_db.ElShearMod[5] = afchl_eq.ElShearMod - clin_eq.ElShearMod/5.0 + daph_eq.ElShearMod/5.0;
SS_ref_db.ElShearMod[6] = andr_eq.ElShearMod/2.0 + clin_eq.ElShearMod - gr_eq.ElShearMod/2.0;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = clin_eq.C[i];
SS_ref_db.Comp[1][i] = afchl_eq.C[i];
SS_ref_db.Comp[2][i] = ames_eq.C[i];
SS_ref_db.Comp[3][i] = daph_eq.C[i];
SS_ref_db.Comp[4][i] = afchl_eq.C[i] - clin_eq.C[i] + daph_eq.C[i];
SS_ref_db.Comp[5][i] = afchl_eq.C[i] - clin_eq.C[i]/5.0 + daph_eq.C[i]/5.0;
SS_ref_db.Comp[6][i] = andr_eq.C[i]/2.0 + clin_eq.C[i] - gr_eq.C[i]/2.0;
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
SS_ref_db.bounds_ref[4][0] = -1.0+eps; SS_ref_db.bounds_ref[4][1] = 1.0-eps;
SS_ref_db.bounds_ref[5][0] = -1.0+eps; SS_ref_db.bounds_ref[5][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_anth
*/
SS_ref G_SS_um_anth_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"anth","gedf","fant","a","b"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","z","a","c","Q1","Q2"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 25.00;
SS_ref_db.W[1] = 33.00;
SS_ref_db.W[2] = 18.00;
SS_ref_db.W[3] = 23.00;
SS_ref_db.W[4] = 39.50;
SS_ref_db.W[5] = 29.00;
SS_ref_db.W[6] = 34.60;
SS_ref_db.W[7] = 12.00;
SS_ref_db.W[8] = 8.000;
SS_ref_db.W[9] = 20.00;
SS_ref_db.v[0] = 1.000;
SS_ref_db.v[1] = 1.500;
SS_ref_db.v[2] = 1.000;
SS_ref_db.v[3] = 1.000;
SS_ref_db.v[4] = 1.000;
em_data anth_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"anth",
"equilibrium" );
em_data ged_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"ged",
"equilibrium" );
em_data fanth_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fanth",
"equilibrium" );
SS_ref_db.gbase[0] = anth_eq.gb;
SS_ref_db.gbase[1] = ged_eq.gb + 22.0;
SS_ref_db.gbase[2] = fanth_eq.gb + 7.0;
SS_ref_db.gbase[3] = 3.0*anth_eq.gb/7.0 + 4.0*fanth_eq.gb/7.0 - 5.5;
SS_ref_db.gbase[4] = 2.0*anth_eq.gb/7.0 + 5.0*fanth_eq.gb/7.0 - 6.7;
SS_ref_db.ElShearMod[0] = anth_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = ged_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = fanth_eq.ElShearMod;
SS_ref_db.ElShearMod[3] = 3.0*anth_eq.ElShearMod/7.0 + 4.0*fanth_eq.ElShearMod/7.0;
SS_ref_db.ElShearMod[4] = 2.0*anth_eq.ElShearMod/7.0 + 5.0*fanth_eq.ElShearMod/7.0;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = anth_eq.C[i];
SS_ref_db.Comp[1][i] = ged_eq.C[i];
SS_ref_db.Comp[2][i] = fanth_eq.C[i];
SS_ref_db.Comp[3][i] = 3.0*anth_eq.C[i]/7.0 + 4.0*fanth_eq.C[i]/7.0;
SS_ref_db.Comp[4][i] = 2.0*anth_eq.C[i]/7.0 + 5.0*fanth_eq.C[i]/7.0;
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = -1.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = -1.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_spi
*/
SS_ref G_SS_um_spi_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"herc","sp","mt"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 0.0;
SS_ref_db.W[1] = 18.500;
SS_ref_db.W[2] = 40.000;
em_data herc_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"herc",
"equilibrium" );
em_data sp_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"sp",
"equilibrium" );
em_data mt_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mt",
"equilibrium" );
SS_ref_db.gbase[0] = herc_eq.gb;
SS_ref_db.gbase[1] = sp_eq.gb;
SS_ref_db.gbase[2] = mt_eq.gb;
SS_ref_db.ElShearMod[0] = herc_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = sp_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = mt_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = herc_eq.C[i];
SS_ref_db.Comp[1][i] = sp_eq.C[i];
SS_ref_db.Comp[2][i] = mt_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_opx
*/
SS_ref G_SS_um_opx_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"en","fs","fm","mgts","fopx"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"x","y","f","Q"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = 7.0;
SS_ref_db.W[1] = 4.0;
SS_ref_db.W[2] = 13.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[3] = 11.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[4] = 4.0;
SS_ref_db.W[5] = 13.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[6] = 11.6 - 0.15*SS_ref_db.P;
SS_ref_db.W[7] = 17.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[8] = 15.0 - 0.15*SS_ref_db.P;
SS_ref_db.W[9] = 1.0;
em_data en_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"en",
"equilibrium" );
em_data fs_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"fs",
"equilibrium" );
em_data mgts_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"mgts",
"equilibrium" );
em_data andr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"andr",
"equilibrium" );
em_data gr_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"gr",
"equilibrium" );
SS_ref_db.gbase[0] = en_eq.gb;
SS_ref_db.gbase[1] = fs_eq.gb;
SS_ref_db.gbase[2] = en_eq.gb/2.0 + fs_eq.gb/2.0 - 6.6;
SS_ref_db.gbase[3] = mgts_eq.gb;
SS_ref_db.gbase[4] = andr_eq.gb/2.0 - gr_eq.gb/2.0 + mgts_eq.gb + 2.0;
SS_ref_db.ElShearMod[0] = en_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = fs_eq.ElShearMod;
SS_ref_db.ElShearMod[2] = en_eq.ElShearMod/2.0 + fs_eq.ElShearMod/2.0;
SS_ref_db.ElShearMod[3] = mgts_eq.ElShearMod;
SS_ref_db.ElShearMod[4] = andr_eq.ElShearMod/2.0 - gr_eq.ElShearMod/2.0 + mgts_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = en_eq.C[i];
SS_ref_db.Comp[1][i] = fs_eq.C[i];
SS_ref_db.Comp[2][i] = en_eq.C[i]/2.0 + fs_eq.C[i]/2.0;
SS_ref_db.Comp[3][i] = mgts_eq.C[i];
SS_ref_db.Comp[4][i] = andr_eq.C[i]/2.0 - gr_eq.C[i]/2.0 + mgts_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
SS_ref_db.bounds_ref[1][0] = 0.0+eps; SS_ref_db.bounds_ref[1][1] = 1.0-eps;
SS_ref_db.bounds_ref[2][0] = 0.0+eps; SS_ref_db.bounds_ref[2][1] = 1.0-eps;
SS_ref_db.bounds_ref[3][0] = 0.0+eps; SS_ref_db.bounds_ref[3][1] = 1.0-eps;
return SS_ref_db;
}
[docs]/**
retrieve reference thermodynamic data for ev_po
*/
SS_ref G_SS_um_po_function(SS_ref SS_ref_db, int EM_database, int len_ox, bulk_info z_b, double eps){
int i, j;
int n_em = SS_ref_db.n_em;
char *EM_tmp[] = {"trov","trot"};
for (int i = 0; i < SS_ref_db.n_em; i++){
strcpy(SS_ref_db.EM_list[i],EM_tmp[i]);
};
int n_xeos = SS_ref_db.n_xeos;
char *CV_tmp[] = {"y"};
for (int i = 0; i < SS_ref_db.n_xeos; i++){
strcpy(SS_ref_db.CV_list[i],CV_tmp[i]);
};
SS_ref_db.W[0] = -3.190;
em_data trov_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"trov",
"equilibrium" );
em_data trot_eq = get_em_data( EM_database,
len_ox,
z_b,
SS_ref_db.P,
SS_ref_db.T,
"trot",
"equilibrium" );
SS_ref_db.gbase[0] = trov_eq.gb;
SS_ref_db.gbase[1] = trot_eq.gb;
SS_ref_db.ElShearMod[0] = trov_eq.ElShearMod;
SS_ref_db.ElShearMod[1] = trot_eq.ElShearMod;
for (i = 0; i < len_ox; i++){
SS_ref_db.Comp[0][i] = trov_eq.C[i];
SS_ref_db.Comp[1][i] = trot_eq.C[i];
}
for (i = 0; i < n_em; i++){
SS_ref_db.z_em[i] = 1.0;
};
SS_ref_db.bounds_ref[0][0] = 0.0+eps; SS_ref_db.bounds_ref[0][1] = 1.0-eps;
return SS_ref_db;
}
SS_ref G_SS_mb_EM_function( global_variable gv,
SS_ref SS_ref_db,
int EM_database,
bulk_info z_b,
char *name ){
double eps = gv.bnd_val;
double P = SS_ref_db.P;
double T = SS_ref_db.T;
SS_ref_db.ss_flags[0] = 1;
/* Associate the right solid-solution data */
for (int FD = 0; FD < gv.n_Diff; FD++){ /* cycle twice in order to get gb_P_eps to calculate densities later on */
if (FD == 8 || FD == 9){ // dG/dP0 to get Volume at P = 1bar
SS_ref_db.P = 1.+ gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
else{
SS_ref_db.P = P + gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
if (strcmp( name, "liq") == 0 ){
/* turn of liquid when T < 600°C) */
if ( T < gv.min_melt_T){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mb_liq_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "hb") == 0 ){
SS_ref_db = G_SS_mb_hb_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "aug") == 0 ){
SS_ref_db = G_SS_mb_aug_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "dio") == 0 ){
SS_ref_db = G_SS_mb_dio_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "opx") == 0 ){
SS_ref_db = G_SS_mb_opx_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "g") == 0 ){
SS_ref_db = G_SS_mb_g_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ol") == 0 ){
SS_ref_db = G_SS_mb_ol_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "fsp") == 0 ){
SS_ref_db = G_SS_mb_fsp_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "abc") == 0 ){
SS_ref_db = G_SS_mb_abc_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "k4tr") == 0 ){
SS_ref_db = G_SS_mb_k4tr_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "sp") == 0 ){
SS_ref_db = G_SS_mb_sp_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ilm") == 0 ){
if (z_b.bulk_rock[gv.TiO2_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mb_ilm_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ilmm") == 0 ){
if (z_b.bulk_rock[gv.TiO2_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mb_ilmm_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ep") == 0 ){
SS_ref_db = G_SS_mb_ep_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "bi") == 0 ){
SS_ref_db = G_SS_mb_bi_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "mu") == 0 ){
SS_ref_db = G_SS_mb_mu_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "chl") == 0 ){
SS_ref_db = G_SS_mb_chl_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else{
printf("\nsolid solution '%s' is not in the database\n",name); }
for (int j = 0; j < SS_ref_db.n_em; j++){
SS_ref_db.mu_array[FD][j] = SS_ref_db.gbase[j];
}
}
for (int j = 0; j < SS_ref_db.n_xeos; j++){
SS_ref_db.bounds[j][0] = SS_ref_db.bounds_ref[j][0];
SS_ref_db.bounds[j][1] = SS_ref_db.bounds_ref[j][1];
}
/* Calculate the number of atoms in the bulk-rock composition */
double fbc = 0.0;
for (int i = 0; i < gv.len_ox; i++){
fbc += z_b.bulk_rock[i]*z_b.apo[i];
}
/* get the numer of atoms per endmember, needed to update normalization factor for liquid */
for (int i = 0; i < SS_ref_db.n_em; i++){
SS_ref_db.ape[i] = 0.0;
for (int j = 0; j < gv.len_ox; j++){
SS_ref_db.ape[i] += SS_ref_db.Comp[i][j]*z_b.apo[j];
}
}
SS_ref_db.fbc = z_b.fbc;
if (gv.verbose == 1){
printf(" %4s:",name);
/* display Gibbs free energy of reference? */
for (int j = 0; j < SS_ref_db.n_em; j++){
printf(" %+12.5f",SS_ref_db.gbase[j]);
}
printf("\n");
if (1 == 1){
/* display molar composition */
printf("\n S A C M F K N T O H\n");
for (int i = 0; i < SS_ref_db.n_em; i++){
for (int j = 0; j < gv.len_ox; j++){
printf(" %.1f",SS_ref_db.Comp[i][j]);
}
printf("\n");
}
printf("\n");
}
}
return SS_ref_db;
};
[docs]/**
checks if it can satisfy the mass constraint
*/
SS_ref G_SS_ig_EM_function( global_variable gv,
SS_ref SS_ref_db,
int EM_database,
bulk_info z_b,
char *name ){
double eps = gv.bnd_val;
double P = SS_ref_db.P;
double T = SS_ref_db.T;
SS_ref_db.ss_flags[0] = 1;
/* Associate the right solid-solution data */
for (int FD = 0; FD < gv.n_Diff; FD++){ /* cycle twice in order to get gb_P_eps to calculate densities later on */
if (FD == 8 || FD == 9){ // dG/dP0 to get Volume at P = 1bar
SS_ref_db.P = 1.+ gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
else{
SS_ref_db.P = P + gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
if (strcmp( name, "bi") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_bi_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "cd") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_cd_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "cpx") == 0){
SS_ref_db = G_SS_ig_cpx_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ep") == 0){
// if no h2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_ep_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "fl") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_fl_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "g") == 0){
SS_ref_db = G_SS_ig_g_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "hb") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_hb_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ilm") == 0){
if (z_b.bulk_rock[gv.TiO2_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_ilm_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "liq") == 0){
/* turn of liquid when T < 600°C) */
if ( T < gv.min_melt_T){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_liq_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "mu") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_ig_mu_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ol") == 0){
SS_ref_db = G_SS_ig_ol_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "opx") == 0){
SS_ref_db = G_SS_ig_opx_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps);
if (gv.limitCaOpx == 1){ SS_ref_db.bounds_ref[2][1] = gv.CaOpxLim - eps; }}
else if (strcmp( name, "fper") == 0 ){
SS_ref_db = G_SS_ig_fper_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps);}
else if (strcmp( name, "fsp") == 0){
SS_ref_db = G_SS_ig_fsp_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "spn") == 0){
SS_ref_db = G_SS_ig_spn_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else{
printf("\nsolid solution '%s' is not in the database\n",name); }
for (int j = 0; j < SS_ref_db.n_em; j++){
SS_ref_db.mu_array[FD][j] = SS_ref_db.gbase[j];
}
}
for (int j = 0; j < SS_ref_db.n_xeos; j++){
SS_ref_db.bounds[j][0] = SS_ref_db.bounds_ref[j][0];
SS_ref_db.bounds[j][1] = SS_ref_db.bounds_ref[j][1];
}
/* Calculate the number of atoms in the bulk-rock composition */
double fbc = 0.0;
for (int i = 0; i < gv.len_ox; i++){
fbc += z_b.bulk_rock[i]*z_b.apo[i];
}
/* get the numer of atoms per endmember, needed to update normalization factor for liquid */
for (int i = 0; i < SS_ref_db.n_em; i++){
SS_ref_db.ape[i] = 0.0;
for (int j = 0; j < gv.len_ox; j++){
SS_ref_db.ape[i] += SS_ref_db.Comp[i][j]*z_b.apo[j];
}
}
SS_ref_db.fbc = z_b.fbc;
if (gv.verbose == 1){
printf(" %4s:",name);
/* display Gibbs free energy of reference? */
for (int j = 0; j < SS_ref_db.n_em; j++){
printf(" %+12.5f",SS_ref_db.gbase[j]);
}
printf("\n");
if (1 == 1){
/* display molar composition */
printf("\n S A C M F K N T O Cr H\n");
for (int i = 0; i < SS_ref_db.n_em; i++){
for (int j = 0; j < gv.len_ox; j++){
printf(" %.1f",SS_ref_db.Comp[i][j]);
}
printf("\n");
}
printf("\n");
}
}
return SS_ref_db;
};
[docs]/**
checks if it can satisfy the mass constraint
*/
SS_ref G_SS_mp_EM_function( global_variable gv,
SS_ref SS_ref_db,
int EM_database,
bulk_info z_b,
char *name ){
double eps = gv.bnd_val;
double P = SS_ref_db.P;
double T = SS_ref_db.T;
SS_ref_db.ss_flags[0] = 1;
/* Associate the right solid-solution data */
for (int FD = 0; FD < gv.n_Diff; FD++){ /* cycle twice in order to get gb_P_eps to calculate densities later on */
if (FD == 8 || FD == 9){ // dG/dP0 to get Volume at P = 1bar
SS_ref_db.P = 1.+ gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
else{
SS_ref_db.P = P + gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
if (strcmp( name, "liq") == 0){
/* turn of liquid when T < 600°C) */
if ( T < gv.min_melt_T){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_liq_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "bi") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_bi_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "fsp") == 0){
SS_ref_db = G_SS_mp_fsp_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "g") == 0){
SS_ref_db = G_SS_mp_g_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ep") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_ep_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ma") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_ma_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "mu") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_mu_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "opx") == 0){
SS_ref_db = G_SS_mp_opx_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "sa") == 0){
SS_ref_db = G_SS_mp_sa_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "cd") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_cd_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "st") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_st_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "chl") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_chl_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ctd") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_ctd_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "sp") == 0){
SS_ref_db = G_SS_mp_sp_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ilm") == 0){
if (z_b.bulk_rock[gv.TiO2_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_ilm_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ilmm") == 0){
if (z_b.bulk_rock[gv.TiO2_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_mp_ilmm_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "mt") == 0){
SS_ref_db = G_SS_mp_mt_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "aq17") == 0){
SS_ref_db = G_SS_aq17_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else{
printf("\nsolid solution '%s' is not in the database\n",name); }
for (int j = 0; j < SS_ref_db.n_em; j++){
SS_ref_db.mu_array[FD][j] = SS_ref_db.gbase[j];
// printf(" %+10.10f",SS_ref_db.gbase[j]);
}
// printf("\n");
}
for (int j = 0; j < SS_ref_db.n_xeos; j++){
SS_ref_db.bounds[j][0] = SS_ref_db.bounds_ref[j][0];
SS_ref_db.bounds[j][1] = SS_ref_db.bounds_ref[j][1];
}
/* Calculate the number of atoms in the bulk-rock composition */
double fbc = 0.0;
for (int i = 0; i < gv.len_ox; i++){
fbc += z_b.bulk_rock[i]*z_b.apo[i];
}
/* get the numer of atoms per endmember, needed to update normalization factor for liquid */
for (int i = 0; i < SS_ref_db.n_em; i++){
SS_ref_db.ape[i] = 0.0;
for (int j = 0; j < gv.len_ox; j++){
SS_ref_db.ape[i] += SS_ref_db.Comp[i][j]*z_b.apo[j];
}
}
SS_ref_db.fbc = z_b.fbc;
if (gv.verbose == 1){
printf(" %4s:",name);
/* display Gibbs free energy of reference? */
for (int j = 0; j < SS_ref_db.n_em; j++){
printf(" %+12.5f",SS_ref_db.gbase[j]);
}
printf("\n");
if (1 == 1){
/* display molar composition */
printf("\n S A C M F K N T O M H \n");
for (int i = 0; i < SS_ref_db.n_em; i++){
for (int j = 0; j < gv.len_ox; j++){
printf(" %.1f",SS_ref_db.Comp[i][j]);
}
printf("\n");
}
printf("\n");
}
}
return SS_ref_db;
};
[docs]/**
checks if it can satisfy the mass constraint
*/
SS_ref G_SS_um_EM_function( global_variable gv,
SS_ref SS_ref_db,
int EM_database,
bulk_info z_b,
char *name ){
double eps = gv.bnd_val;
double P = SS_ref_db.P;
double T = SS_ref_db.T;
SS_ref_db.ss_flags[0] = 1;
/* Associate the right solid-solution data */
for (int FD = 0; FD < gv.n_Diff; FD++){ /* cycle twice in order to get gb_P_eps to calculate densities later on */
//printf("%d %d %s...........\n",FD,EM_database,name);
if (FD == 8 || FD == 9){ // dG/dP0 to get Volume at P = 1bar
SS_ref_db.P = 1.+ gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
else{
SS_ref_db.P = P + gv.gb_P_eps*gv.pdev[0][FD];
SS_ref_db.T = T + gv.gb_T_eps*gv.pdev[1][FD];
}
if (strcmp( name, "fl") == 0 ){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_um_fluid_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps);}
else if (strcmp( name, "br") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_um_br_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ol") == 0){
SS_ref_db = G_SS_um_ol_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ch") == 0){
// if no h2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_um_ch_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "atg") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_um_atg_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "g") == 0){
SS_ref_db = G_SS_um_g_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "ta") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_um_ta_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "po") == 0){
// if no S, deactivate
SS_ref_db = G_SS_um_po_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "chl") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_um_chl_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "anth") == 0){
// if no H2O, deactivate
if (z_b.bulk_rock[gv.H2O_id] == 0.){
SS_ref_db.ss_flags[0] = 0;
}
SS_ref_db = G_SS_um_anth_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps);}
else if (strcmp( name, "opx") == 0){
SS_ref_db = G_SS_um_opx_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else if (strcmp( name, "spi") == 0){
SS_ref_db = G_SS_um_spi_function(SS_ref_db, EM_database, gv.len_ox, z_b, eps); }
else{
printf("\nsolid solution '%s' is not in the database\n",name); }
for (int j = 0; j < SS_ref_db.n_em; j++){
SS_ref_db.mu_array[FD][j] = SS_ref_db.gbase[j];
// printf(" %+10.10f",SS_ref_db.gbase[j]);
}
// printf("\n");
}
for (int j = 0; j < SS_ref_db.n_xeos; j++){
SS_ref_db.bounds[j][0] = SS_ref_db.bounds_ref[j][0];
SS_ref_db.bounds[j][1] = SS_ref_db.bounds_ref[j][1];
}
/* Calculate the number of atoms in the bulk-rock composition */
double fbc = 0.0;
for (int i = 0; i < gv.len_ox; i++){
fbc += z_b.bulk_rock[i]*z_b.apo[i];
}
/* get the numer of atoms per endmember, needed to update normalization factor for liquid */
for (int i = 0; i < SS_ref_db.n_em; i++){
SS_ref_db.ape[i] = 0.0;
for (int j = 0; j < gv.len_ox; j++){
SS_ref_db.ape[i] += SS_ref_db.Comp[i][j]*z_b.apo[j];
}
}
SS_ref_db.fbc = z_b.fbc;
if (gv.verbose == 1){
printf(" %4s:",name);
/* display Gibbs free energy of reference? */
for (int j = 0; j < SS_ref_db.n_em; j++){
printf(" %+12.5f",SS_ref_db.gbase[j]);
}
printf("\n");
if (1 == 1){
/* display molar composition */
if (EM_database == 4){
printf("\n S A M F O H S\n");
}
for (int i = 0; i < SS_ref_db.n_em; i++){
for (int j = 0; j < gv.len_ox; j++){
printf(" %.1f",SS_ref_db.Comp[i][j]);
}
printf("\n");
}
printf("\n");
}
}
return SS_ref_db;
};