arxim project

aim of project: development of modules for calculations of multiphase interactions (fluid - mineral - gas - ...)

Chemical thermodynamics is involved in many fields of the earth sciences, from magmatic and metamorphic petrology through hydrothermal fluid-rock interactions to subsurface reactive transport processes. Addressing a petrological issue commonly involves the quantitative solution of multi-variate problems, where a large number of parameters (system composition, P, T, µ's, ...) interact with each other. Moreover, petrological problems often involve coupled processes, where the thermodynamic approach (to equilibrium) is intimately coupled with other physical processes, such as transport of material, heat, etc.
This has triggered the development of a large number of computer codes, available for nearly every situation where a thermodynamic approach may help understanding geological processes: some are dedicated to water-rock interaction processes at subsurface conditions, such as EQ3/6, PHREEQC, CHESS, GEM-Selektor,..., while others are developed for metamorphic petrology, such as THERIAK, PERPLEX, TWEEQU, THERMOCALC, etc.
The aim of the ARXIM project, rather than adding another program to the list, is the development of an open and evolutive library that would comprise the general tools for multiphase equilibrium / reaction calculations. The tools are intended to be open to modifications and extensions by the user, and easily imported in, or interfaced to other codes.
Fortran 90 is chosen as programming language because, while conserving the relative simplicity of fortran77, it incorporates the essential features for making modular codes easier to understand, modify, share, and extend.

Contact : moutte@emse.fr

arxim, a library for thermodynamic modeling of fluid-rock systems (pdf)

install arxim, run arxim, build the input file (pdf)

list of arxim keywords (pdf)

(french) documents relatifs aux journées de formation ARXIM

arxim databases on the structures of database files (pdf)

arxim examples examples of script files and results , tests for thermodynamic models

bivariate diagrams with python and arxim

program sources :
fortran 90, developed with intel compiler, also compiles with gfortran.
contact moutte@emse.fr to get the sources

installation (windows) :
Download arxim_test.7z, unzip on your local disk.
Unzipping arxim_test.zip should produce a directory arxim_test containing the following tree:
| bin = directory with arxim executables
| dtb = database directory
| inn = input directory with .inn example files
| out = output directory
| cmd.bat

cmd.bat is a DOS batch file that, on double-click, will open a DOS session within the directory arxim_test.
In the DOS terminal that opens, type bin\arxim.exe, followed by the path of the input script,
e.g. bin\arxim.exe inn\d2_gr_1cm.
Remember that you can use the TAB key for auto-completion of DOS commands.

(french) introduction aux méthodes de calculs d'équilibres

calculs d'équilibres eau-minéraux, approche LMA

calculs d'équilibres multiphasiques, approche GEM