• GLOPEQ

  • Referenced in 15 articles [sw07709]
  • computational tool for the phase and chemical equilibrium problem. Calculation of phase and chemical equilibrium ... this work, the goal is to obtain equilibrium solutions corresponding to a global minimum ... GLobal OPtimization for the Phase and chemical EQuilibrium problem) can guarantee global solutions for problems...
  • STANJAN

  • Referenced in 17 articles [sw13336]
  • element potential method for chemical equilibrium analysis: Implementation in the interactive program STANJAN...
  • EURANUS

  • Referenced in 9 articles [sw04088]
  • either perfect gases or air in chemical equilibrium. Closure of the Reynolds stresses is provided...
  • MT3DMS

  • Referenced in 20 articles [sw08693]
  • advection, dispersion, diffusion, and some chemical reactions including equilibrium-controlled linear or non-linear sorption...
  • MINEQL

  • Referenced in 2 articles [sw19063]
  • general approach to the chemical equilibrium problem are described in Part I of the report ... description of the solution to the chemical equilibrium problem used in MINEQL appears in Appendix ... mathematical problem (without any reference to its chemical analog), followed by a very simple example ... concepts involved in the basic chemical equilibrium problem, (i.e., where there are no solid phases...
  • FITEQL

  • Referenced in 3 articles [sw23342]
  • computer program for determination of chemical equilibrium constants from experimental data...
  • TOUGHREACT

  • Referenced in 16 articles [sw07854]
  • TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids ... under local equilibrium or kinetic rates. The gas phase can be chemically active. Precipitation...
  • MICROQL

  • Referenced in 1 article [sw23341]
  • MICROQL: a chemical equilibrium program in BASIC. Computation of adsorption equilibria in BASIC. MICROQL ... multicomponent chemical equilibrium computer program. It is based on the version originally implemented ... program calculates chemical speciation in aqueous solution at thermodynamic equilibrium. The new version that ... step chemical entities, chemical species and chemical equilibrium systems. The generated chemical equilibrium systems...
  • ChemSage

  • Referenced in 2 articles [sw19061]
  • partial properties of its components. Chemical equilibrium calculations can be made for a system which...
  • libcgrpp

  • Referenced in 2 articles [sw07205]
  • hard global optimization problems, such as chemical equilibrium systems and robot kinematics applications (Hirsch...
  • CXTFIT

  • Referenced in 5 articles [sw30614]
  • considered: (i) the conventional equilibrium ADE; (ii) the chemical and physical nonequilibrium ADEs ... tube model based upon the local-scale equilibrium or nonequilibrium...
  • SPECY

  • Referenced in 7 articles [sw02852]
  • method to linearise the equilibrium chemistry and respect of the chemically allowed interval and positive...
  • TeDy

  • Referenced in 1 article [sw26679]
  • software package to compute the chemical-equilibrium composition in multicomponent multiphase systems, the changes ... thermodynamic functions of specific chemical reactions, the phase diagrams of multiphase systems, and to provide ... thermodynamics database. The function of the equilibrium computation is based on the stoichiometric method used ... Gibbs energy are used to determine the equilibrium material composition. The thermodynamic functions of specific...
  • CORE2D

  • Referenced in 1 article [sw07855]
  • REactive solute transport under both local chemical equilibrium and kinetic conditions. It can handle abiotic ... lake, and 6) Coupled thermo-hydro-chemical processes of compacted bentonite after FEBEX in situ...
  • WATEQF

  • Referenced in 1 article [sw36799]
  • WATEQ : a computer program for calculating chemical equilibrium of natural waters. WATEQF is a FORTRAN...
  • GEMSFIT

  • Referenced in 1 article [sw25636]
  • thermodynamic fitting tool coupled to a chemical equilibrium solver which uses the direct Gibbs energy...
  • GEMS3K

  • Referenced in 4 articles [sw19058]
  • relevant subsurface systems. Thermodynamic equilibrium defines the baseline for solubility, chemical kinetics...
  • SOLGASMIX

  • Referenced in 1 article [sw03005]
  • SOLGASMIX used to compute the equilibrium of a chemical system. The code is based ... problem, e.g. by adequately determining what chemical species should be present in the input ... energies, yields a legitimate approximation for the equilibrium...
  • Kintecus

  • Referenced in 1 article [sw22888]
  • enzyme, atmospheric and many other chemical kinetic and equilibrium processes. There are many features...