Cantera/Kinetic Mechanisms: Difference between revisions
From charlesreid1
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=Theory= | =Theory= | ||
Theory of chemical reactions | |||
What a mechanism consists of | What a mechanism consists of | ||
| Line 6: | Line 8: | ||
Input parameters for rate constant calculation | Input parameters for rate constant calculation | ||
=Definitions/Quantities= | |||
Definitions of quantities involved in chemical reactions | |||
Theoretical information needed (by Cantera) to define reaction mechanisms | |||
=Code= | =Code= | ||
==Defining a Reaction== | |||
End use of the Cantera classes - to define a reaction. | |||
CTI files, XML files | |||
What are the parameters that a reaction requires to work | |||
How to use for rolling your own reactor models | |||
==Computing Reaction Rates== | |||
End use of the Cantera classes - to obtain reaction rates. | |||
Kinetics class | |||
Where the reaction rates are assembled, and what methods | Where the reaction rates are assembled, and what methods | ||
| Line 17: | Line 37: | ||
Where the reaction rates are used | Where the reaction rates are used | ||
How to use for arbitrary | How to use for arbitrary numerical solvers (your own ODE/PDE solvers) | ||
=Flags= | |||
{{CanteraFlag}} | |||
Latest revision as of 08:41, 17 April 2017
Theory
Theory of chemical reactions
What a mechanism consists of
How the reaction rates are assembled, theoretically
Input parameters for rate constant calculation
Definitions/Quantities
Definitions of quantities involved in chemical reactions
Theoretical information needed (by Cantera) to define reaction mechanisms
Code
Defining a Reaction
End use of the Cantera classes - to define a reaction.
CTI files, XML files
What are the parameters that a reaction requires to work
How to use for rolling your own reactor models
Computing Reaction Rates
End use of the Cantera classes - to obtain reaction rates.
Kinetics class
Where the reaction rates are assembled, and what methods
Where the reaction rates are used
How to use for arbitrary numerical solvers (your own ODE/PDE solvers)
Flags
 |
Cantera all pages on the wiki related to the Cantera combustion microkinetics and thermodynamics (a.k.a. "thermochemistry") software.
Cantera · Cantera Outline · Category:Cantera
Outline of Cantera topics: Cantera Outline · Cantera Outline/Brief Understanding Cantera's Structure: Cantera Structure Cantera from Matlab: Using_Cantera#Matlab Cantera from Python: Using_Cantera#Python Cantera from C++: Using_Cantera#C++ Cantera + Fipy (PDE Solver): Fipy and Cantera/Diffusion 1D Cantera Gas Objects: Cantera/Gases Cantera 1D Domains, Stacks: Cantera_One-D_Domains · Cantera_Stacks Cantera Gas Mixing: Cantera_Gas_Mixing
Topics in Combustion: Diffusion: Cantera/Diffusion · Cantera/Diffusion Coefficients Sensitivity Analysis: Cantera/Sensitivity Analysis Analysis of the Jacobian Matrix in Cantera: Jacobian_in_Cantera Chemical Equilibrium: Chemical_Equilibrium Kinetic Mechanisms: Cantera/Kinetic_Mechanisms Reactor Equations: Cantera/Reactor_Equations Differential vs. Integral Reactors: Cantera/Integral_and_Differential_Reactors Effect of Dilution on Adiabatic Flame Temperature: Cantera/Adiabatic_Flame_Temperature_Dilution
Topics in Catalysis: Cantera for Catalysis: Cantera_for_Catalysis Steps for Modeling 0D Multiphase Reactor: Cantera_Multiphase_Zero-D Reaction Rate Source Terms: Cantera/Reaction_Rate_Source_Terms Surface coverage: Cantera/Surface_Coverage Surface reactions: Cantera/Surface_Reactions
Cantera Input Files: Chemkin file format: Chemkin CTI files: Cantera/CTI_Files · Cantera/CTI_Files/Phases · Cantera/CTI_Files/Species · Cantera/CTI_Files/Reactions
Hacking Cantera: Pantera (monkey patches and convenience functions for Cantera): Pantera Extending Cantera's C API: Cantera/Extending_C_API Extending Cantera with Python Classes: Cantera/Adding Python Class Debugging Cantera: Cantera/Debugging_Cantera Debugging Cantera from Python: Cantera/Debugging_Cantera_from_Python Gas Mixing Functions: Cantera_Gas_Mixing Residence Time Reactor (new Cantera class): Cantera/ResidenceTimeReactor
Resources: Cantera Resources: Cantera Resources Cantera Lecture Notes: Cantera_Lecture
Category:Cantera · Category:Combustion Category:C++ · Category:Python Flags · Template:CanteraFlag · e |
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Installing Cantera notes on the wiki related to installing the Cantera thermochemistry software library.
Cantera Installation: Mac OS X 10.5 (Leopard): Installing_Cantera#Leopard Mac OS X 10.6 (Snow Leopard): Installing_Cantera#Snow_Leopard · Cantera2 Config Mac OS X 10.7 (Lion): Installing_Cantera#Lion Mac OS X 10.8 (Mountain Lion): Installing_Cantera#Mountain_Lion Ubuntu 12.04 (Precise Pangolin): Installing_Cantera#Ubuntu Windows XP: Installing_Cantera#Windows_XP Windows 7: Installing_Cantera#Windows_7
Cantera Preconfig: In old versions of Cantera, a preconfig file was used to specify library locations and options. Mac OS X 10.5 (Leopard) preconfig: Cantera_Preconfig/Leopard_Preconfig Mac OS X 10.6 (Snow Leopard) preconfig: Cantera_Preconfig/Snow_Leopard_Preconfig Mac OS X 10.8 (Mountain Lion) preconfig: Cantera_Config/MountainLion_SconsConfig Ubuntu 12.04 (Precise Pangolin) preconfig: Cantera_Config/Ubuntu1204_SconsConfig Flags · Template:InstallingCanteraFlag · e |