Fractionation

[thieu]

Hi,

I am a new user of the program.
I trying to fractionate some fases (olivine, clinopyroxene, orthopyroxene,...

Title: ipunt_file_2
Initial Composition: SiO2 50.35
Initial Composition: TiO2 1.89
Initial Composition: Al2O3 17.94
Initial Composition: FeOTOT 8.33
Initial Composition: MnO 0.15
Initial Composition: MgO 6.45
Initial Composition: CaO 11.50
Initial Composition: Na2O 3.01
Initial Composition: K2O 0.17
Initial Composition: P2O5 0.22
Initial Mass: 100
Initial Temperature: 1500.000000
Initial Pressure: 20000.00
Log fo2 Path: QFM
Log fO2 delta: -1.0
Fractionate: quartz
Fractionate: olivine
Fractionate: orthopyroxene
Fractionate: clinopyroxene

But when I execute the program to times (with two differend inputfiles, one with fractionation and one not), there is
no difference at all in my oputput files.
Is there something I have to change in my environment file before I kan fractionate? (I just use one calculation).

Thank you

Thieu

[Paula]

O.K. several points here:

Firstly it need to be 'FeO' in the melts_file, not 'FeO*' or 'FeOtot' etc..  At the moment it fails to read the FeO value properly (as 'TOT' is not a number) and FeO is set to 17.94g instead i.e. the Al2O3 value.  The program does not generate an error for this mistake because it matches 'FeO' successfully - I will change it so that it does generate an error for the next version of the software.

I'm not sure what environment variables you are using.  I tried using a modified version of the command_file, frac_xtal_tutorial.txt, from the tutorial with your melts_file and got different output files when I deleted the 'Fractionate:' lines.

You need to comment out (put a '!' in front of) ADIABAT_FRACTIONATE_SOLIDS to turn this option off.  Otherwise, if ADIABAT_FRACTIONATE_SOLIDS is set, then all solid phases will be fractionated and there will be no difference if the results whether you have 'Fractionate:' lines in the melts_file or not.

You also need to choose execute (menu option 4) for the phases to be fractionated.  If you only do a single batch calculation (option 3) there will be no fractionations or special calculations, such as assimilation.  See the section in the manual about menu options for more details.

If it still doesn't work please don't hesitate to post again (I've been on leave but I'll be around more from now on so your post will get answered...).

Paula