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Assimilation-fractional crystallization (AFC) calculations

Started by Zhenjiangwang_cug, September 28, 2024, 08:30:05 PM

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Zhenjiangwang_cug

Hi,
I am doing some assimilation-fractional crystallization (AFC) calculations modeling the assimilation between basalt and carbonate using alphamelts 1.9.
Whew I call the option 4, the number of iterations is not asked, instead popping a warning "WARNING: closed system calculation is effectively isobaric and isothermal. Please adjust DELTAT or DELTAP, or restart in a different calculation mode to avoid infinite loop!"
So I was wondering how to solve the warning.
Thank you very much!

The alphamelts_default_env.txt and melts.file are shown following,
!Default values of environment variables (version 1.6)
!Variables preceeded by '!' are 'unset' (i.e. 'false')

ALPHAMELTS_VERSION pMELTS
!ALPHAMELTS_OLD_GARNET true
!ALPHAMELTS_OLD_SPINEL true
!ALPHAMELTS_OLD_BIOTITE true
!ALPHAMELTS_2_AMPH true
!ALPHAMELTS_NO_CHLORITE true
ALPHAMELTS_MODE isenthalpic
!ALPHAMELTS_PTPATH_FILE ptpath.txt
ALPHAMELTS_DELTAP 0
ALPHAMELTS_DELTAT 0
ALPHAMELTS_MAXP 30000
ALPHAMELTS_MINP 1
ALPHAMELTS_MAXT 2000
ALPHAMELTS_MINT 900
!ALPHAMELTS_ALTERNATIVE_FO2 true
!ALPHAMELTS_LIQUID_FO2 true
!ALPHAMELTS_IMPOSE_FO2 true
!ALPHAMELTS_FO2_PRESSURE_TERM true
!ALPHAMELTS_CONTINUOUS_MELTING true
ALPHAMELTS_MINF 0.005
!ALPHAMELTS_MINPHI 0.01
!ALPHAMELTS_CONTINUOUS_RATIO float
!ALPHAMELTS_CONTINUOUS_VOLUME true
!ALPHAMELTS_FRACTIONATE_SOLIDS true
ALPHAMELTS_MASSIN  0.001
!ALPHAMELTS_FRACTIONATE_WATER true
!ALPHAMELTS_MINW 0.9
!ALPHAMELTS_FRACTIONATE_TARGET true
!ALPHAMELTS_MGO_TARGET 8.0
!ALPHAMELTS_MGNUMBER_TARGET float
!ALPHAMELTS_ASSIMILATE true
!ALPHAMELTS_FLUX_MELTING true
!ALPHAMELTS_DRY_ITER_PATIENCE 100
!ALPHAMELTS_DO_TRACE true
!ALPHAMELTS_DO_TRACE_H2O true
!ALPHAMELTS_HK_OL_TRACE_H2O true
!ALPHAMELTS_HK_PXGT_TRACE_H2O mineral-mineral
!ALPHAMELTS_2X_OPX_TRACE_H2O true
!ALPHAMELTS_TRACE_DEFAULT_DPTX true
!ALPHAMELTS_TRACE_NORMALIZATION 1
!ALPHAMELTS_TRACE_INPUT_FILE yourtraceinfile.txt
!ALPHAMELTS_TRACE_USELIQFEMG true
!ALPHAMELTS_MULTIPLE_LIQUIDS true
!ALPHAMELTS_FRACTIONATE_SECOND_LIQUID true
!ALPHAMELTS_FOCUS true
!ALPHAMELTS_FOCUS_FACTOR float
!ALPHAMELTS_ADIABAT_FILE true
!ALPHAMELTS_CELSIUS_OUTPUT true
!ALPHAMELTS_SAVE_ALL true
!ALPHAMELTS_SKIP_FAILURE true
!ALPHAMELTS_FAILED_ITER_PATIENCE 10
!ALPHAMELTS_INTEGRATE_FILE filename
!ALPHAMELTS_LATENT_HEAT true
!ALPHAMELTS_QUICK_OUTPUT true

Paula

You need to turn on assimilation (remove the '!' in front of ALPHAMELTS_ASSIMILATE). Then you should be asked how many steps you want to take.

But alphaMELTS 1.9 doesn't have any of the CO2-capable models. If you want to do carbonate assimilation you'll need something like easyMelts or a newer version of alphaMELTS (see the LINKS and VERSION 2 tabs on the alphaMELTS site, as well as https://github.com/magmasource/alphaMELTS).

Zhenjiangwang_cug


Zhenjiangwang_cug

Hi, Paula,
Sorry to bother you again.
I have recently conducted some carbonate assimilation calculations by using easyMELTS.
However, there is no solid composition in these output files, only liquid and mineral compositions.
So I was wondering how to make easyMELTS give the solid composition automatically, just like the alphaMELTS2.
Thank you.

Paula

All the information is there but spread across multiple files and I don't think there's a quick way to create the solid composition for open system runs. What I would do is write out a .melts file just after you have set up the assimilation run in easyMelts. Add an "Output: both" line and run it in the standalone alphaMELTS 2 app. That way you'll get the alphaMELTS-style output as well as the melts.out / .tbl files.

Zhenjiangwang_cug

Thank you, Paula.
Writing out a .melts file and running it in the alphaMELTS 2 may be a quick way to obtain the solid composition.
I will try it.