• CHEMKIN

  • Referenced in 203 articles [sw06684]
  • powerful tools for incorporating complex chemical kinetics into simulations of reacting flow. Using CHEMKIN, researchers ... particular process, which might involve multiple chemical species, concentration ranges, and gas temperatures. Since...
  • TRANSPORT

  • Referenced in 44 articles [sw08144]
  • This package uses the gas-phase chemical kinetics package CHEMKIN-III, and the TRANSPORT property...
  • Cantera

  • Referenced in 25 articles [sw15111]
  • Object-Oriented Software Toolkit for Chemical Kinetics, Thermodynamics, and Transport Processes. Cantera is a suite ... oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. Cantera provides types...
  • PREMIX

  • Referenced in 34 articles [sw27815]
  • program accounts for finite rate chemical kinetics and multicomponent molecular transport. After stating the appropriate ... runs in conjunction with preprocessors for the chemical reaction mechanism and the transport properties. Transport...
  • MPSalsa

  • Referenced in 24 articles [sw06960]
  • equal emphasis on fluid flow and chemical kinetics modeling. In our research, we focus...
  • SENKIN

  • Referenced in 20 articles [sw12845]
  • program for predicting homogeneous gas phase chemical kinetics with sensitivity analysis. SENKIN is a Fortran ... accounts for finite-rate elementary chemical reactions, and performs kinetic sensitivity analysis with respect ... with the CHEMKIN package, which handles the chemical reaction mechanism...
  • CHEMSODE

  • Referenced in 11 articles [sw00124]
  • ODEs describing a chemical kinetics system can be very stiff and are the most computationally ... limited by their ability to solve these chemical ODE systems both accurately and efficiently. These ... explicit and very stable for chemical kinetics problems...
  • parest_dae

  • Referenced in 7 articles [sw09087]
  • QSSA in Chemical Kinetics: As Taught and as Practiced. Chemical mechanisms for even simple reaction ... taught” to students of chemistry, biology, and chemical and biological engineering ... carried out for many of the relevant kinetics problems, and perhaps even most of them...
  • Larkin

  • Referenced in 4 articles [sw36286]
  • LARge Systems Arising in Chemical Reaction KINetics. Chemical reaction kinetics is one of the most ... even the term ‘stiff’ originated from chemical kinetics -see CURTISS and HIRSCHFELDER [4.1], who suggested ... DIFSUB was later combined with certain chemical kinetics packages such as BELLCHEM due to EDELSON...
  • MLAB

  • Referenced in 5 articles [sw06010]
  • simulation and modeling problems such as chemical kinetics, pharmacological compartmental models, multiple site ligand binding...
  • Cyto-Sim

  • Referenced in 5 articles [sw35368]
  • variable levels of abstraction via arbitrary chemical kinetics which link to ordinary differential equations...
  • SCAMP

  • Referenced in 11 articles [sw02112]
  • general-purpose simulator of metabolic and chemical networks. The program is written ... structure and possessing any kinetics using normal chemical notation; optionally build models directly from...
  • GEMS3K

  • Referenced in 4 articles [sw19058]
  • equilibrium defines the baseline for solubility, chemical kinetics, and RMT in general. Efficient RMT simulations ... operator-splitting approach, where the solver of chemical equilibria is called by the mass transport...
  • SIGMA

  • Referenced in 4 articles [sw31363]
  • equations, supplemented by the equations of chemical kinetics and the finite difference TVD method...
  • CHEMEQ2

  • Referenced in 4 articles [sw18289]
  • Stiff Ordinary Differential Equations of Chemical Kinetics. This report describes and documents the subroutine CHEMEQ2...
  • TOUGHREACT

  • Referenced in 17 articles [sw07854]
  • TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids ... local equilibrium or kinetic rates. The gas phase can be chemically active. Precipitation and dissolution...
  • ChemPAK

  • Referenced in 3 articles [sw18708]
  • package for solving direct problems of chemical kinetics with an arbitrary number of chemical reactions...
  • pyJac

  • Referenced in 3 articles [sw26411]
  • source code used to analytically calculate chemical kinetics Jacobian matrices, customized for a particular model/reaction...
  • KPP

  • Referenced in 10 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 ... continuous and discrete adjoint models of the chemical system to do sensitivity analysis...
  • ChemPy

  • Referenced in 2 articles [sw37962]
  • erential equations commonly encountered in chemical kinetics. Last, but not the least, it collects parametrizations...