• CHEMKIN

  • Referenced in 263 articles [sw06684]
  • powerful tools for incorporating complex chemical kinetics into simulations of reacting flow. Using CHEMKIN, researchers ... able to investigate thousands of reaction combinations to develop a comprehensive understanding of a particular...
  • MT3DMS

  • Referenced in 22 articles [sw08693]
  • advection, dispersion, diffusion, and some chemical reactions including equilibrium-controlled linear or non-linear sorption ... first-order irreversible or reversible kinetic reactions. Additionally, MT3DMS contains three major transport solution techniques...
  • PHREEQC

  • Referenced in 30 articles [sw07853]
  • transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface ... specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature...
  • SENKIN

  • Referenced in 25 articles [sw12845]
  • program for predicting homogeneous gas phase chemical kinetics with sensitivity analysis. SENKIN is a Fortran ... finite-rate elementary chemical reactions, and performs kinetic sensitivity analysis with respect to the reaction...
  • GEPASI

  • Referenced in 34 articles [sw07916]
  • systems. It simulates the kinetics of systems of biochemical reactions and provides a number...
  • Larkin

  • Referenced in 4 articles [sw36286]
  • LARge Systems Arising in Chemical Reaction KINetics. Chemical reaction kinetics is one of the most...
  • ReaDDy

  • Referenced in 4 articles [sw17865]
  • contrast to other particle-based reaction kinetics programs, ReaDDy supports particle interaction potentials. This permits ... large-scale but little-detailed reaction kinetics simulations. ReaDDy has a modular design that enables...
  • KinFitSim

  • Referenced in 6 articles [sw09290]
  • Kinetics simulation and fitting software. KinFitSim 3.0 is a tool for simulating complex chemical reactions ... measurements. Chemical reaction mechanisms with tens of reactions and involving a large number of chemical ... simulation may yield important information about system kinetics when kinetic parameters of the model ... information about the stoichiometry of the reaction mechanism, kinetics of each reaction and initial concentrations...
  • Cantera

  • Referenced in 56 articles [sw15111]
  • oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. Cantera provides types ... phases of matter, interfaces between these phases, reaction managers, time-dependent reactor networks, and steady...
  • MIN3P

  • Referenced in 13 articles [sw11519]
  • surface complexation. The reaction network is designed to handle kinetically controlled intra-aqueous and dissolution...
  • ReactionKinetics

  • Referenced in 3 articles [sw11480]
  • applications. Requirements are formulated for a reaction kinetics program package to be useful ... realistic problem in any field of reaction kinetics raises a series of problems, both mathematical...
  • CHEMEQ2

  • Referenced in 4 articles [sw18289]
  • Stiff Ordinary Differential Equations of Chemical Kinetics. This report describes and documents the subroutine CHEMEQ2 ... stiff ordinary differential equations arising from reaction kinetics. This is a second generation improvement...
  • RAFT

  • Referenced in 3 articles [sw07829]
  • strategies. A suite of solvers for transport, reactions and regression are employed so that ... chosen. User specified coupled equilibrium and kinetic reaction systems can be incorporated into RAFT. RAFT...
  • parest_dae

  • Referenced in 7 articles [sw09087]
  • Chemical Kinetics: As Taught and as Practiced. Chemical mechanisms for even simple reaction networks involve ... QSSA is ubiquitous in modeling enzymatic reactions. In this chapter, we focus attention ... carried out for many of the relevant kinetics problems, and perhaps even most of them ... especially when the kinetics are restricted to unimolecular and bimolecular reactions. We describe algorithms that...
  • TOUGHREACT

  • Referenced in 22 articles [sw07854]
  • kinetic rates. The gas phase can be chemically active. Precipitation and dissolution reactions can change...
  • KPP

  • Referenced in 11 articles [sw10179]
  • Kinetic PreProcessor (KPP). Taking a set of chemical reactions and their rate coefficients as input ... code for the temporal integration of the kinetic system. Efficiency is obtained by carefully exploiting...
  • ADGenKinetics

  • Referenced in 2 articles [sw41408]
  • simplified kinetic formats following the guidelines recommended by the Biochem library. Matabolic reaction networks ... assembled using a few number of reaction kinetics. Constructed models can also be used...
  • ReactOp

  • Referenced in 1 article [sw22146]
  • Optimization) addresses the critical problems of reaction kinetics and reactor design: Kinetics evaluation - estimation ... complex reaction rate parameters, based on available sets of experimental data; Simulation of chemical reactors ... user when he simulates chemical reactors, estimates kinetic parameters, optimizes chemical reactors, etc. Wizard provides ... ReactOp supports three different types of reaction kinetics models: Models that obey...
  • PREMIX

  • Referenced in 52 articles [sw27815]
  • program accounts for finite rate chemical kinetics and multicomponent molecular transport. After stating the appropriate ... conjunction with preprocessors for the chemical reaction mechanism and the transport properties. Transport property formulations...
  • Phast4Windows

  • Referenced in 1 article [sw13421]
  • groundwater flow under confined or unconfined conditions. Reactions among multiple solutes include mineral equilibria, cation ... surface complexation, solid solutions, and general kinetic reactions. The interface can be used to develop...