• CHEMKIN

  • Referenced in 198 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...
  • MPSalsa

  • Referenced in 24 articles [sw06960]
  • resolution 3D simulations with an equal emphasis on fluid flow and chemical kinetics modeling...
  • KinFitSim

  • Referenced in 6 articles [sw09290]
  • Kinetics simulation and fitting software. KinFitSim 3.0 is a tool for simulating complex chemical reactions ... reactions and involving a large number of chemical species are not uncommon in models ... numerical simulation may yield important information about system kinetics when kinetic parameters of the model ... numerical methods. It automatically simulates the time-course of chemical or biochemical reactions given...
  • MLAB

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

  • Referenced in 10 articles [sw00124]
  • ODEs describing a chemical kinetics system can be very stiff and are the most computationally ... costly part of most reactive flow simulations. Research areas ranging from combustion to climate modeling ... limited by their ability to solve these chemical ODE systems both accurately and efficiently. These ... explicit and very stable for chemical kinetics problems...
  • GEMS3K

  • Referenced in 4 articles [sw19058]
  • coupled simulation codes, Reactive mass transport (RMT) simulation is a powerful numerical tool to advance ... baseline for solubility, chemical kinetics, and RMT in general. Efficient RMT simulations can be based ... operator-splitting approach, where the solver of chemical equilibria is called by the mass transport...
  • TOUGHREACT

  • Referenced in 14 articles [sw07854]
  • TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids ... fluids can occur under local equilibrium or kinetic rates. The gas phase can be chemically...
  • ReactOp

  • Referenced in 1 article [sw22146]
  • problems of reaction kinetics and reactor design: Kinetics evaluation - estimation of complex reaction rate parameters ... available sets of experimental data; Simulation of chemical reactors and cascades of chemical reactors ... Wizard accompanies user when he simulates chemical reactors, estimates kinetic parameters, optimizes chemical reactors...
  • MT3DMS

  • Referenced in 19 articles [sw08693]
  • dimensional transport model that can simulate advection, dispersion, and chemical reactions of dissolved constituents. MT3DMS ... 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...
  • SCAMP

  • Referenced in 11 articles [sw02112]
  • general-purpose simulator of metabolic and chemical networks. The program is written ... experienced users rapidly to build and simulate metabolic systems. The language is sufficiently flexible ... structure and possessing any kinetics using normal chemical notation; optionally build models directly from ... time interpreter for immediate execution. The simulator also incorporates an inbuilt symbolic differentiator for evaluating...
  • BIOTC

  • Referenced in 1 article [sw21431]
  • BIOTC: an open-source CFD code for simulating biomass fast pyrolysis. The BIOTC code ... hydrodynamics and global chemical kinetics for chemical reactions to simulate fast pyrolysis of biomass...
  • PoKiTT

  • Referenced in 1 article [sw17486]
  • heterogeneous architectures for detailed chemical kinetics, transport, and thermodynamics calculations. Simulating combustion provides detailed insights ... interplay between fluid flow, molecular diffusion, and chemical reactions. However, the breadth of state...
  • CRNSimulator

  • Referenced in 3 articles [sw33636]
  • action kinetics with other kinds of dynamics, and provides a simple way to simulate experiments ... which a sequence of chemical additions is performed. It is particularly well-suited for engineered...
  • OpenSMOKE++

  • Referenced in 1 article [sw22162]
  • numerical simulations of reacting systems with detailed kinetic mechanisms, including thousands of chemical species ... OpenSMOKE++ framework can handle simulations of ideal chemical reactors (plug-flow, batch, and jet stirred ... main chemical paths and to interpret the numerical results from a kinetic point of view ... Since simulations involving large kinetic mechanisms are very time consuming, OpenSMOKE++ adopts advanced numerical techniques...
  • iNA

  • Referenced in 3 articles [sw17973]
  • package for the exploration of stochastic biochemical kinetics using the system size expansion. The accepted ... given by the Chemical Master Equation and the Stochastic Simulation Algorithm, which are equivalent ... biochemical kinetics by means of van Kampen’s system size expansion of the Chemical Master ... stochastic simulations. These analytical tools are complemented by automated multi-core stochastic simulations with direct...
  • E-CELL

  • Referenced in 20 articles [sw07917]
  • reaction rules. E-CELL simulates cell behavior by numerically integrating the differential equations described implicitly ... concentrations of proteins, protein complexes and other chemical compounds in the cell. Using this software ... rules of the developed cell model with kinetic parameters can be obtained...
  • SIGMA

  • Referenced in 4 articles [sw31363]
  • equations, supplemented by the equations of chemical kinetics and the finite difference TVD method ... aided software package SIGMA. The results of simulation of the hypersonic flow about the spherical...
  • SIMKINE

  • Referenced in 1 article [sw07174]
  • extrapolation to simulate complex mechanisms based on the kinetics of homogeneous chemical systems. The chemical...
  • reactingfoam-SCI

  • Referenced in 1 article [sw29520]
  • open source CFD platform for reacting flow simulation. Computational fluid dynamics (CFD) has become ... intrinsically involve the complex interaction of chemical kinetics and fluid mechanics. Among various open source ... packages, the widely used C++ finite volume simulation toolbox OpenFOAM has many advantages such ... have been identified regarding its application in chemically reacting flows, especially incomplete splitting schemes, poor...
  • KINSOLVER

  • Referenced in 1 article [sw00488]
  • parThe simulator KINSOLVER solves chemical reaction networks, satisfying standard multiplicative mass-action kinetics, of arbitrary ... adaptive RK-Fehlberg, and LSODES). The simulator includes a simple Web-based interface for specifying...