Partition coefficients input file

When modelling trace-element, you have the option to provide custom sets of partition coefficients. In the Setup tab navigate to the Phase diagram parameters panel and set TE predictive model = true. This displays several new fields right below:

File format

The Upload Kd's function take an as input an excel xlsx file. To prepare the file, first create a Sheet named KDs. This is important as the loading routine will only look for this spreadsheet and ignores all others!

Spreadsheet structure

The spreadsheet must have the following structure:

A	B	C	...	N
Acronym	Displayed name	infos	-	-
Phase	El_1	El_2	...	El_n
Ph_1	D_El_1_Ph_1	D_El_2_Ph_1	...	D_El_n_Ph_1
Ph_2	D_El_1_Ph_2	D_El_2_Ph_2	...	D_El_n_Ph_2
...	...	...	...	...
Ph_m	D_El_1_Ph_m	D_El_2_Ph_m	...	D_El_n_Ph_m

where El stands for element and Ph for phase (pure or solution)

Note

• The Acronym should be a few characters long without spaces

• The phase names must satisfy the acronym of the pure/solution phases

• When using saturation models the associated phase partition coefficient should be set to 0. For instance, Zr partition coefficient for zircon (zrc) must be set to 0. This is because the stoichiometry of Zr in zircon is treated internally and does not rely on partition coefficients.

• Partition coefficients can be expressions e.g., "0.14 * T_C/1000.0 + [:afs].compVariables[1]" "0.01". The first entry "0.14 * T_C/1000.0 + [:afs].compVariables[1]" is a non-linear formulation of Li KD for afs that depends on temperature T_C and the compositional variable 1 of biotite. See MAGEMin_C output structure for more details about available parameters.