Continuous Reactor ¶. In this example we will illustrate how Cantera can be used to simulate a Continuously Stirred Tank Reactor (CSTR), also interchangeably referred to as a Perfectly Stirred Reactor or a Well Stirred Reactor, a Jet Stirred Reactor or a Longwell Reactor (there may well be more "aliases"). A cartoon of such a reactor is shown
Instances of class Kinetics are responsible for evaluating reaction rates of progress, species production rates, and other quantities pertaining to a reaction mechanism. Add a new reaction to this phase. Creation rates for each species. [kmol/m^3/s] for bulk phases or [kmol/m^2/s] for surface phases.
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In Cantera, a reactor network represents a set of one or more homogeneous reactors and reacting surfaces that may be connected to each other and to the environment through
Reactors ¶. A Cantera Reactor() represents the simplest form of a chemically reacting system. It corresponds to an extensive thermodynamic control volume V V, in which all state variables are homogeneously distributed. The system is generally unsteady -- that is, all states are functions of time. In particular, transient state changes due to
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In this section, we describe how Cantera uses species and phase information to calculate thermodynamic properties. Thermodynamic properties typically depend on information at both the species and phase levels. Generally, the species thermodynamic model and accompanying coefficient data specifies how the reference enthalpy and entropy values
Here, we'll create a gas mixture. Start MATLAB, and at the prompt type: >>>. >> gas1 = GRI30. If you have successfully installed the Cantera toolbox, you should see something like this: gri30: temperature 300 K. pressure 101325 Pa. density 0.0818891 kg/m^3.
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The user must specify a transport model for each species and provide inputs that inform how species properties are calculated. For example, the user provides inputs that allow Cantera to calculate species collision integrals based on species-specific Lennard-Jones parameters. The user also selects a phase transport model.
import cantera as ct import numpy as np. When using Cantera, the first thing you usually need is an object representing: some phase of matter. Here, we’ll create a gas mixture. gas1 = ct.Solution('gri30.yaml') To view the state of the mixture, the gas1 object as if it were a function: gas1() gri30: temperature 300 K.
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The basic reaction type is a homogeneous reaction with a pressure-independent rate coefficient and mass action kinetics. For example: a A + b B ⇌ c C + d D. where A and B are reactant species, C and D are product species, and a, b, c, and d are stoichiometric coefficients. The forward reaction rate is then calculated as: R f = [ A] a [ B] b k f.
P r = k 0 [ M] k ∞. The rate constant may be written as. k f ( T, P r) = k ∞ ( P r 1 + P r) More accurate models for unimolecular processes lead to other, more complex, forms for the dependence on reduced pressure. These can be accounted for by multiplying the Lindemann expression by a function F ( T, P r): k f ( T, P r) = k ∞ ( P r 1 + P
In Cantera, an element may refer to a chemical element or an isotope. Note that definitions of elements are not often needed, since Cantera has definitions for the standard chemical elements. Explicit element definitions are usually only needed for isotopes. An element can be defined in the YAML format by adding entries to the elements section
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Cantera 3.0.0 Cantera 2.6.0 Cantera 2.5.1 Cantera 2.4.0 Cantera 2.3.0 Cantera 2.2.1 Cantera 2.1.2 Cantera 2.0.2 Science Reference Thermodynamic Properties Species Thermodynamic Models Phase Thermodynamic Models Chemical Reactions Reaction Rates
In this example we simulate a freely-propagating, adiabatic, 1-D flame, calculate its laminar burning velocity and perform a sensitivity analysis of its kinetics. The figure below illustrates the setup, in a flame-fixed co-ordinate system. The reactants enter with density \rho_ {u} ρu, temperature T_ {u} T u and speed S_ {u} S u.
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Reactors and Reactor Networks. #. In Cantera, a reactor network represents a set of one or more homogeneous reactors and reacting surfaces that may be connected to each other and to the environment through devices representing mass flow, heat transfer, and moving walls. The system is generally unsteady – that is, all states are functions of time.
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For those new to Cantera, we present here a set of short tutorials to familiarize you with Cantera’s basic functionality and capabilities, give some examples of how to work
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Here, newSolution imports all information held by a YAML input file into a Cantera Solution object, which is accessed by the pointer sol.The thermodynamic information is accessible via sol->thermo(), which itself returns a pointer to a ThermoPhase object. Class ThermoPhase is the base class for Cantera classes that represent phases of matter. . It defines the public
Here, we describe how Cantera calculates chemical reaction rates for various reaction types. Elementary Reactions # The basic reaction type is a homogeneous reaction with a
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