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file | copyright.c [code] |
| Output copyright information of the ISLEC or ISLRE program.
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file | gem_ipopt.c [code] |
| Perform Gibbs energy minimization of the whole thermodynamic system using the open source IPOPT optimization library function IpoptSolve().
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file | gsl_reg.c [code] |
| Perform parameter regression combining single point Gibbs energy minimization and the GNU Scientific Library function gsl_multifit_fdfsolver ().
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file | islec.c [code] |
| Main function of the ISLEC program.
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file | islec.h [code] |
| Header file of the ISLEC program.
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file | islre.c [code] |
| Main function of the ISLRE program.
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file | islre.h [code] |
| Header file of the ISLRE program.
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file | load_db.c [code] |
| Load (after cleared all commented and black lines) database file into memory object components and phases.
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file | load_exp.c [code] |
| Load experimental data from a file for parameter regression; the loaded data include water activity (expaw), pH (expph) and solubility (expsol)
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file | print_results.c [code] |
| Output the chemical and environmental infromation of the system and the species information in the thermodynamic equilibrium state generated from the Gibbs energy minimization procedure.
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file | psc_model.c [code] |
| Implementation of activity (a) and activity coefficient (r) equations of a revised Pitzer-Simonson-Clegg (PSC) ion interaction model for describing the non-ideality of aqueous solution phase.
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file | rkg_model.c [code] |
| Implementation of activity (a) equation of the Redlich-Kister-Guggenheim (RKG) sub-regular solution model for describing the non-ideality of solid solution phase.
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file | sim_process.c [code] |
| Simulate the commonly involved brine chemical process (i.e. single point equilibrium, evaporating, freezing, heating, mixing)
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file | test_load.c [code] |
| Test the correctness of the loaded database content by printing them.
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file | test_models.c [code] |
| Test the correctness of the activity equations of PSC and RKG models.
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file | usage.c [code] |
| Output ISLEC and ISLRE usage information.
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file | version.c [code] |
| Output ISLEC and ISLRE version information.
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