• BRTSim

  • Referenced in 2 articles [sw37291]
  • biological species; (2) arbitrary chemical and biological reactions; (3) arbitrary equilibrium reactions; and (4) combine...
  • PyEquIon

  • Referenced in 1 article [sw36797]
  • developed for the calculation of aqueous electrolyte equilibrium. The package takes as inputs the feed ... composing ions and the chemical reactions involved to calculate equilibrium conditions. Moreover, there...
  • GeoSysBRNS

  • Referenced in 4 articles [sw13424]
  • isotopologically heavy fraction of an organic compound. Chemical and biochemical processes can be kinetically controlled ... kinetics), or are assumed to be at equilibrium (e.g., for acid base dissociations). A major ... apply changes at the source code level, chemical processes are written as ordinary differential equations...
  • Ge0-calc

  • Referenced in 1 article [sw38714]
  • phases in the selected chemical systems, computation of the equilibrium position for each reaction curve...
  • RETRASO

  • Referenced in 2 articles [sw37010]
  • minerals). Chemical reactions can be assumed to follow either an equilibrium or a kinetic approach...
  • ms2

  • Referenced in 2 articles [sw22573]
  • models on the basis of the grand equilibrium method. Furthermore, it is capable of sampling ... yields numerous thermodynamic properties. To evaluate the chemical potential, Widomʼs test molecule method and gradual ... implemented. Transport properties are determined by equilibrium MD simulations following the Green–Kubo formalism...
  • IVTANTHERMO

  • Referenced in 2 articles [sw18575]
  • Windows intended for thermodynamic modelling of complex chemically reacting systems is described. The package includes ... program, which allows the calculation of equilibrium composition and thermodynamic properties of the system ... examined. The software is intended for scientists, chemical engineers and students...
  • CHNOSZ

  • Referenced in 0 articles [sw15144]
  • standard molal thermodynamic properties and chemical affinities of reactions involving minerals and/or biomolecules; a database ... construction of equilibrium activity diagrams as a function of temperature, pressure, and chemical activities...
  • TSolMod

  • Referenced in 2 articles [sw19062]
  • efficient data exchange with the GEM IPM equilibrium solver; open conceptual design that allows straightforward ... range of geochemical, petrological, material science, and chemical engineering applications...
  • PLASMAKIN

  • Referenced in 1 article [sw00712]
  • reactions, accessing the data or the chemical kinetics results through a reduced number of procedure ... been prepared to evaluate the maintenance field, equilibrium populations, relative contribution of each reaction, photon...
  • TReacLab

  • Referenced in 1 article [sw34673]
  • benchmarks with homogeneous and heterogeneous reactions at equilibrium or kinetically-controlled. We show that full ... still justified for coupling independent transport and chemical software at a minimal development effort...
  • LEHGC

  • Referenced in 1 article [sw07856]
  • iteratively solves two-dimensional transport and geochemical equilibrium equations and is a descendant of HYDROGEOCHEM ... properties of the media, the potential chemical reactions, and the initial and boundary conditions. Output...
  • FIDAP

  • Referenced in 37 articles [sw00006]
  • FIDAP (A Fluid Dynamics Analysis Program). This paper...
  • CGAL

  • Referenced in 372 articles [sw00118]
  • The goal of the CGAL Open Source Project...
  • Gmsh

  • Referenced in 644 articles [sw00366]
  • Gmsh is a 3D finite element grid generator...
  • HSL

  • Referenced in 274 articles [sw00418]
  • HSL (formerly the Harwell Subroutine Library) is a...
  • LAPACK

  • Referenced in 1654 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...
  • Maple

  • Referenced in 5220 articles [sw00545]
  • The result of over 30 years of cutting...
  • MATCONT

  • Referenced in 399 articles [sw00551]
  • MATCONT: Matlab software for bifurcation study of dynamical...