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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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