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Thermodynamic Properties

Warning

This documentation is for an old version of Cantera. You can find docs for newer versions here.

# Creating Phase Objects¶

These classes are composite representations of a substance which has thermodynamic, chemical kinetic, and (optionally) transport properties.

class cantera.Solution(infile='', phaseid='', source=None, thermo=None, species=(), kinetics=None, reactions=(), **kwargs)

Bases: cantera._cantera.ThermoPhase, cantera._cantera.Kinetics, cantera._cantera.Transport

A class for chemically-reacting solutions. Instances can be created to represent any type of solution – a mixture of gases, a liquid solution, or a solid solution, for example.

Class Solution derives from classes ThermoPhase, Kinetics, and Transport. It defines no methods of its own, and is provided so that a single object can be used to compute thermodynamic, kinetic, and transport properties of a solution.

To skip initialization of the Transport object, pass the keyword argument transport_model=None to the Solution constructor.

The most common way to instantiate Solution objects is by using a phase definition, species and reactions defined in an input file:

gas = ct.Solution('gri30.cti')


If an input file defines multiple phases, the phase name (in CTI) or id (in XML) can be used to specify the desired phase:

gas = ct.Solution('diamond.cti', 'gas')
diamond = ct.Solution('diamond.cti', 'diamond')


Solution objects can also be constructed using Species and Reaction objects which can themselves either be imported from input files or defined directly in Python:

spec = ct.Species.listFromFile('gri30.cti')
rxns = ct.Reaction.listFromFile('gri30.cti')
species=spec, reactions=rxns)


where the thermo and kinetics keyword arguments are strings specifying the thermodynamic and kinetics model, respectively, and species and reactions keyword arguments are lists of Species and Reaction objects, respectively.

For non-trivial uses cases of this functionality, see the examples extract_submechanism.py and mechanism_reduction.py.

In addition, Solution objects can be constructed by passing the text of the CTI or XML phase definition in directly, using the source keyword argument:

cti_def = '''
ideal_gas(name='gas', elements='O H Ar',
species='gri30: all',
reactions='gri30: all',
options=['skip_undeclared_elements', 'skip_undeclared_species', 'skip_undeclared_third_bodies'],
initial_state=state(temperature=300, pressure=101325))'''
gas = ct.Solution(source=cti_def)

class cantera.Interface(infile='', phaseid='', phases=(), thermo=None, species=(), kinetics=None, reactions=())

Bases: cantera._cantera.InterfacePhase, cantera._cantera.InterfaceKinetics

Two-dimensional interfaces.

Instances of class Interface represent reacting 2D interfaces between bulk 3D phases. Class Interface defines no methods of its own. All of its methods derive from either InterfacePhase or InterfaceKinetics.

To construct an Interface object, adjacent bulk phases which participate in reactions need to be created and then passed in as a list in the phases argument to the constructor:

gas = ct.Solution('diamond.cti', 'gas')
diamond = ct.Solution('diamond.cti', 'diamond')
diamond_surf = ct.Interface('diamond.cti', 'diamond_100', [gas, diamond])

class cantera.DustyGas(infile, phaseid='')

Bases: cantera._cantera.ThermoPhase, cantera._cantera.Kinetics, cantera._cantera.DustyGasTransport

A composite class which models a gas in a stationary, solid, porous medium.

The only transport properties computed are the multicomponent diffusion coefficients. The model does not compute viscosity or thermal conductivity.

## Pure Fluid Phases¶

The following convenience functions can be used to create PureFluid objects with the indicated equation of state:

cantera.CarbonDioxide()

Create a PureFluid object using the equation of state for carbon dioxide.

cantera.Heptane()

Create a PureFluid object using the equation of state for heptane.

cantera.Hfc134a()

Create a PureFluid object using the equation of state for HFC-134a.

cantera.Hydrogen()

Create a PureFluid object using the equation of state for hydrogen.

cantera.Methane()

Create a PureFluid object using the equation of state for methane.

cantera.Nitrogen()

Create a PureFluid object using the equation of state for nitrogen.

cantera.Oxygen()

Create a PureFluid object using the equation of state for oxygen.

cantera.Water()

Create a PureFluid object using the equation of state for water.