• Stiff-PINN

  • Referenced in 1 article [sw42094]
  • Physics-Informed Neural Network for Stiff Chemical Kinetics. Recently developed physics-informed neural network (PINN ... performance of PINN in solving stiff chemical kinetic problems with governing equations of stiff ordinary ... regular PINN in the studied stiff chemical kinetic systems. The developed Stiff-PINN approach that ... enable PINN to solve stiff chemical kinetics shall open the possibility of applying PINN...
  • MESMER

  • Referenced in 1 article [sw26915]
  • commonly used theoretical models for describing chemical kinetics are accurate in two limits. When relaxation ... used to analyze and predict nonequilibrium chemical kinetics across a range of intermediate relaxation regimes ... transfer with an external bath impacts phenomenological kinetics. MESMER offers users a range of user ... range of fields concerned with chemical kinetics. As accurate thermodynamics data become more widely available...
  • ChemPy

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

  • Referenced in 2 articles [sw33637]
  • language for programming deterministic (mass-action) chemical kinetics to perform computation. We present its syntax ... Open image in new window programs into chemical reactions, thereby laying the foundation...
  • Reaktoro

  • Referenced in 2 articles [sw40343]
  • processes governed by either chemical equilibrium, chemical kinetics, or a combination of both...
  • SGNS2

  • Referenced in 2 articles [sw34966]
  • SGNS2: a compartmentalized stochastic chemical kinetics simulator for dynamic cell populations. Motivation: Cell growth ... division affect the kinetics of internal cellular processes and the phenotype diversity of cell populations ... Results: We present SGNS2, a simulator of chemical reaction systems according to the Stochastic Simulation...
  • POTLIB

  • Referenced in 2 articles [sw08278]
  • variety of chemical dynamics and chemical kinetics computer codes. Interface routines are provided...
  • SIMKINE

  • Referenced in 1 article [sw07174]
  • kinetics of homogeneous chemical systems. The chemical kinetics pre-processor code is designed to translate ... rate equations into a system of chemical kinetic differential equations. The developed programme is applied...
  • ALCHEMIC

  • Referenced in 1 article [sw34081]
  • ALCHEMIC: Advanced time-dependent chemical kinetics. ALCHEMIC solves chemical kinetics problems, including gas-grain interactions ... phenomena and can model the time-dependent chemical evolution of molecular clouds, hot cores, corinos...
  • CORE2D

  • Referenced in 5 articles [sw07855]
  • solute transport under both local chemical equilibrium and kinetic conditions. It can handle abiotic reactions ... lake, and 6) Coupled thermo-hydro-chemical processes of compacted bentonite after FEBEX in situ...
  • ERENA

  • Referenced in 1 article [sw18299]
  • method for ordinary differential equations of chemical kinetics. We herein propose a fast and robust ... stiff ordinary differential equations (ODEs) of chemical kinetics. The formulation of ERENA is based...
  • OpenSMOKE++

  • Referenced in 5 articles [sw22162]
  • reacting systems with detailed kinetic mechanisms, including thousands of chemical species and reactions. The framework ... main chemical paths and to interpret the numerical results from a kinetic point of view...
  • 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 ... simulation may yield important information about system kinetics when kinetic parameters of the model ... chemical or biochemical reactions given the information about the stoichiometry of the reaction mechanism, kinetics...
  • BIOTC

  • Referenced in 1 article [sw21431]
  • model for multiphase hydrodynamics and global chemical kinetics for chemical reactions to simulate fast pyrolysis...
  • MT3DMS

  • Referenced in 21 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...
  • GeoSysBRNS

  • Referenced in 5 articles [sw13424]
  • organic compound. Chemical and biochemical processes can be kinetically controlled (e.g., by Monod-kinetics ... kinetics, or requiring the user to apply changes at the source code level, chemical processes...
  • cmcFoam

  • Referenced in 1 article [sw29516]
  • turbulence model and using a chemical kinetic scheme having 21 species and 84 chemical reactions...
  • PLASMAKIN

  • Referenced in 1 article [sw00712]
  • physical and chemical data used in plasma physics modeling and to compute kinetics data from ... exchange rates. PLASMAKIN supports any number of chemical species and reactions, is independent of problem ... reactions, accessing the data or the chemical kinetics results through a reduced number of procedure...
  • PoKiTT

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

  • Referenced in 1 article [sw21137]
  • automatically evaluates the performance of a chemical kinetic model using experimental data given...