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- Cantera.Kinetics.Kinetics
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- Solution(Cantera.ThermoPhase.ThermoPhase, Cantera.Kinetics.Kinetics, Cantera.Transport.Transport)
- Cantera.ThermoPhase.ThermoPhase(Cantera.Phase.Phase)
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- Solution(Cantera.ThermoPhase.ThermoPhase, Cantera.Kinetics.Kinetics, Cantera.Transport.Transport)
- Cantera.Transport.Transport
-
- Solution(Cantera.ThermoPhase.ThermoPhase, Cantera.Kinetics.Kinetics, Cantera.Transport.Transport)
class Solution(Cantera.ThermoPhase.ThermoPhase, Cantera.Kinetics.Kinetics, Cantera.Transport.Transport) |
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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 very few methods of its own, and is
provided largely for convenience, so that a single object can be
used to compute thermodynamic, kinetic, and transport properties
of a solution. Functions like IdealGasMix and others defined in
module gases return objects of class Solution.
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- Method resolution order:
- Solution
- Cantera.ThermoPhase.ThermoPhase
- Cantera.Phase.Phase
- Cantera.Kinetics.Kinetics
- Cantera.Transport.Transport
Methods defined here:
- __del__(self)
- __init__(self, src='', id='', loglevel=0, debug=0)
- __repr__(self)
- name(self)
- set(self, **options)
- Set various properties.
T --- temperature [K]
P --- pressure [Pa]
Rho --- density [kg/m3]
V --- specific volume [m3/kg]
H --- specific enthalpy [J/kg]
U --- specific internal energy [J/kg]
S --- specific entropy [J/kg/K]
X --- mole fractions (string or array)
Y --- mass fractions (string or array)
Vapor --- saturated vapor fraction
Liquid --- saturated liquid fraction
Methods inherited from Cantera.ThermoPhase.ThermoPhase:
- chemPotentials(self, species=[])
- Species chemical potentials.
This method returns an array containing the species
chemical potentials [J/kmol]. The expressions used to
compute these depend on the model implemented by the
underlying kernel thermo manager.
- cp_R(self, species=[])
- Pure species non-dimensional heat capacities
at constant pressure.
This method returns an array containing the pure-species
standard-state heat capacities divided by R. For gaseous
species, these values are ideal gas heat capacities.
- cp_mass(self)
- Specific heat at constant pressure [J/kg/K].
- cp_mole(self)
- The molar heat capacity at constant pressure [J/kmol/K].
- cv_mass(self)
- Specific heat at constant volume [J/kg/K].
- cv_mole(self)
- The molar heat capacity at constant volume [J/kmol/K].
- electricPotential(self)
- Electric potential [V].
- elementPotentials(self, elements=[])
- Element potentials of the elements.
This method returns an array containing the element potentials
[J/kmol]. The element potentials are only defined for
equilibrium states. This method first sets the composition to
a state of equilibrium holding T and P constant, then computes
the element potentials for this equilibrium state.
- enthalpies_RT(self, species=[])
- Pure species non-dimensional reference state enthalpies.
This method returns an array containing the pure-species
standard-state enthalpies divided by RT. For gaseous species,
these values are ideal gas enthalpies.
- enthalpy_mass(self)
- Specific enthalpy [J/kg].
- enthalpy_mole(self)
- The molar enthalpy [J/kmol].
- entropies_R(self, species=[])
- Pure species non-dimensional entropies.
This method returns an array containing the pure-species
standard-state entropies divided by R. For gaseous species,
these values are ideal gas entropies.
- entropy_mass(self)
- Specific entropy [J/kg/K].
- entropy_mole(self)
- The molar entropy [J/kmol/K].
- equilibrate(self, XY, solver=-1, rtol=1.0000000000000001e-09, maxsteps=1000, maxiter=100, loglevel=0)
- Set to a state of chemical equilibrium holding property pair
'XY' constant.
XY --- A two-letter string, which must be one of the set
['TP','TV','HP','SP','SV','UV','PT','VT','PH','PS','VS','VU'].
If H, U, S, or V is specified, the value must be the specific
value (per unit mass)
solver --- Specifies the equilibrium solver to use. If solver =
0, a fast solver using the element potential method will be
used. If solver > 0, a slower but more robust Gibbs
minimization solver will be used. If solver < 0 or
unspecified, the fast solver will be tried first, then if it
fails the other will be tried.
rtol -- the relative error tolerance.
maxsteps -- maximum number of steps in composition to take to
find a converged solution.
maxiter -- for the Gibbs minimization solver only, this
specifies the number of 'outer' iterations on T or P when some
property pair other than TP is specified.
loglevel -- set to a value > 0 to write diagnostic output to a
file in HTML format. Larger values generate more detailed
information. The file will be named 'equilibrate_log.html.'
Subsequent files will be named 'equillibrate_log1.html', etc.,
so that log files are not overwritten.
- gibbs_RT(self, species=[])
- Pure species non-dimensional Gibbs free energies.
This method returns an array containing the pure-species
standard-state Gibbs free energies divided by R.
For gaseous species, these are ideal gas values.
- gibbs_mass(self)
- Specific Gibbs free energy [J/kg].
- gibbs_mole(self)
- The molar Gibbs function [J/kmol].
- intEnergy_mass(self)
- Specific internal energy [J/kg].
- intEnergy_mole(self)
- The molar internal energy [J/kmol].
- maxTemp(self, sp=None)
- Maximum temperature for which thermodynamic property fits
are valid. If a species is specified (by name or number),
then the maximum temperature is for only this
species. Otherwise it is the highest temperature for which the
properties are valid for all species.
- minTemp(self, sp=None)
- Minimum temperature for which thermodynamic property fits
are valid. If a species is specified (by name or number),
then the minimum temperature is for only this
species. Otherwise it is the lowest temperature for which the
properties are valid for all species.
- pressure(self)
- The pressure [Pa].
- refPressure(self)
- Reference pressure [Pa].
All standard-state thermodynamic properties are for this pressure.
- restoreState(self, s)
- Restore the state to that stored in array s.
- saveState(self)
- Return an array with state information that can later be
used to restore the state.
- setElectricPotential(self, v)
- Set the electric potential.
- setName(self, name)
- Set the name attribute. This can be any string
- setPressure(self, p)
- Set the pressure [Pa].
- setState_HP(self, h, p)
- Set the state by specifying the specific enthalpy and
the pressure.
- setState_PX(self, p, x)
- Set the pressure [Pa], and mole fractions.
- setState_PY(self, p, y)
- Set the pressure [Pa], and mass fractions.
- setState_SP(self, s, p)
- Set the state by specifying the specific entropy
energy and the pressure.
- setState_SV(self, s, v)
- Set the state by specifying the specific entropy
and the specific volume.
- setState_TP(self, t, p)
- Set the temperature [K] and pressure [Pa].
- setState_TPX(self, t, p, x)
- Set the temperature [K], pressure [Pa], and
mole fractions.
- setState_TPY(self, t, p, y)
- Set the temperature [K], pressure [Pa], and
mass fractions.
- setState_UV(self, u, v)
- Set the state by specifying the specific internal
energy and the specific volume.
- thermo_hndl(self)
- Return the integer index that is used to
reference the kernel object. For internal use.
- thermophase(self)
- Return the integer index that is used to
reference the kernel object. For internal use.
Methods inherited from Cantera.Phase.Phase:
- atomicWeights(self, elements=[])
- Array of element molar masses [kg/kmol].
If a sequence of element symbols is supplied, only the values
for those elements are returned, ordered as in the
list. Otherwise, the values are for all elements in the phase,
ordered as in the input file.
- density(self)
- Mass density [kg/m^3].
- elementIndex(self, element)
- The index of element 'element', which may be specified as
a string or an integer index. In the latter case, the index is
checked for validity and returned. If no such element is
present, an exception is thrown.
- elementName(self, m)
- Name of the element with index number m.
- elementNames(self)
- Return a tuple of all element names.
- massFraction(self, species)
- Mass fraction of one species, referenced by name or
index number.
>>> ph.massFraction(4)
>>> ph.massFraction('CH4')
- massFractions(self, species=None)
- Species mass fraction array.
If optional argument 'species'
is supplied, then only the values for the selected species are
returned.
>>> y1 = ph.massFractions() # all species
>>> y2 = ph.massFractions(['OH', 'CH3'. 'O2'])
- meanMolarMass(self)
- Mean molar mass [kg/kmol].
- meanMolecularWeight(self)
- Mean molar mass [kg/kmol].
- molarDensity(self)
- Molar density [kmol/m^3].
- molarMasses(self, species=None)
- Array of species molar masses [kg/kmol].
- moleFraction(self, species)
- Mole fraction of a species, referenced by name or
index number.
>>> ph.moleFraction(4)
>>> ph.moleFraction('CH4')
- moleFractions(self, species=None)
- Species mole fraction array.
If optional argument 'species'
is supplied, then only the values for the selected species are
returned.
>>> x1 = ph.moleFractions() # all species
>>> x2 = ph.moleFractions(['OH', 'CH3'. 'O2'])
- molecularWeights(self, species=None)
- Array of species molar masses [kg/kmol].
- nAtoms(self, species=None, element=None)
- Number of atoms of element 'element' in species 'species'.
The element and species may be specified by name or by number.
>>> ph.nAtoms('CH4','H')
___ 4
- nElements(self)
- Number of elements.
- nSpecies(self)
- Number of species.
- phase_id(self)
- The integer index used to access the kernel-level object.
Internal.
- selectElements(self, f, elements)
- Given an array 'f' of floating-point element properties,
return a nummodule array of those values corresponding to elements
listed in 'elements'.
>>> f = ph.elementPotentials()
>>> lam_o, lam_h = ph.selectElements(f, ['O', 'H'])
- selectSpecies(self, f, species)
- Given an array 'f' of floating-point species properties,
return an array of those values corresponding to species
listed in 'species'. This method is used internally to implement
species selection in methods like moleFractions, massFractions, etc.
>>> f = ph.chemPotentials()
>>> muo2, muh2 = ph.selectSpecies(f, ['O2', 'H2'])
- setDensity(self, rho)
- Set the density [kg/m3].
- setMassFractions(self, x, norm=1)
- Set the mass fractions.
See: setMoleFractions
- setMolarDensity(self, n)
- Set the density [kmol/m3].
- setMoleFractions(self, x, norm=1)
- Set the mole fractions.
x - string or array of mole fraction values
norm - If non-zero (default), array values will be
scaled to sum to 1.0.
>>> ph.setMoleFractions('CO:1, H2:7, H2O:7.8')
>>> x = [1.0]*ph.nSpecies()
>>> ph.setMoleFractions(x)
>>> ph.setMoleFractions(x, norm = 0) # don't normalize values
- setState_TNX(self, t, n, x)
- Set the temperature, molardensity, and mole fractions. The mole
fractions may be entered as a string or array,
>>> ph.setState_TNX(600.0, 2.0e-3, 'CH4:0.4, O2:0.6')
- setState_TR(self, t, rho)
- Set the temperature and density, leaving the composition
unchanged.
- setState_TRX(self, t, rho, x)
- Set the temperature, density, and mole fractions. The mole
fractions may be entered as a string or array,
>>> ph.setState_TRX(600.0, 2.0e-3, 'CH4:0.4, O2:0.6')
- setState_TRY(self, t, rho, y)
- Set the temperature, density, and mass fractions.
- setTemperature(self, t)
- Set the temperature [K].
- speciesIndex(self, species)
- The index of species 'species', which may be specified as
a string or an integer index. In the latter case, the index is
checked for validity and returned. If no such species is
present, an exception is thrown.
- speciesName(self, k)
- Name of the species with index k.
- speciesNames(self)
- Return a tuple of all species names.
- temperature(self)
- Temperature [K].
- volume_mass(self)
- Specific volume [m^3/kg].
Methods inherited from Cantera.Kinetics.Kinetics:
- activationEnergies(self)
- Activation energies in Kelvin for all reactions.
- advanceCoverages(self, dt)
- clear(self)
- Delete the kinetics manager.
- creationRates(self, phase=None)
- delta_G(self)
- delta_G0(self)
- delta_H(self)
- delta_H0(self)
- delta_S(self)
- delta_S0(self)
- destructionRates(self, phase=None)
- equilibriumConstants(self)
- Equilibrium constants in concentration units for all reactions.
- fwdRateConstants(self)
- Forward rate constants for all reactions.
- fwdRatesOfProgress(self)
- Forward rates of progress of the reactions.
- isReversible(self, i)
- True (1) if reaction number 'i' is reversible,
and false (0) otherwise.
- kin_index(self)
- kineticsSpeciesIndex(self, name, phase)
- The index of a species.
name -- species name
phase -- phase name
Kinetics managers for heterogeneous reaction mechanisms
maintain a list of all species in all phases. The order of the
species in this list determines the ordering of the arrays of
production rates. This method returns the index for the
specified species of the specified phase, and is used to
locate the entry for a particular species in the production
rate arrays.
- kineticsStart(self, n)
- The starting location of phase n in production rate arrays.
- kineticsType(self)
- Kinetics manager type.
- kinetics_hndl(self)
- multiplier(self, i)
- nPhases(self)
- Number of phases.
- nReactions(self)
- Number of reactions.
- netProductionRates(self, phase=None)
- netRatesOfProgress(self)
- Net rates of progress of the reactions.
- phase(self, n)
- Return an object representing the nth phase.
- productStoichCoeff(self, k, i)
- The stoichiometric coefficient of species k as a product in reaction i.
- productStoichCoeffs(self)
- The array of product stoichiometric coefficients. Element
[k,i] of this array is the product stoichiometric
coefficient of species k in reaction i.
- reactantStoichCoeff(self, k, i)
- The stoichiometric coefficient of species k as a reactant in reaction i.
- reactantStoichCoeffs(self)
- The array of reactant stoichiometric coefficients. Element
[k,i] of this array is the reactant stoichiometric
coefficient of species k in reaction i.
- reactionEqn(self, i)
- The equation for the specified reaction. If a list of equation numbers
is given, then a list of equation strings is returned.
- reactionPhaseIndex(self)
- The phase in which the reactions take place.
- reactionString(self, i)
- Reaction string for reaction number 'i'
- reactionType(self, i)
- Type of reaction 'i'
- revRateConstants(self, doIrreversible=0)
- Reverse rate constants for all reactions.
- revRatesOfProgress(self)
- Reverse rates of progress of the reactions.
- setMultiplier(self, value=0.0, reaction=-1)
- sourceTerms(self)
Methods inherited from Cantera.Transport.Transport:
- addTransportModel(self, model, loglevel=1)
- Add a new transport model. Note that if 'model' is the
name of an already-installed transport model, the new
transport manager will take the place of the old one, which
will no longer be accessible. This method does not change the
active model.
- binaryDiffCoeffs(self)
- Two-dimensional array of species binary diffusion coefficients.
- desc(self)
- A short description of the active model.
- diffusionCoeffs(self)
- Species diffusion coefficients. (m^2/s).
- mixDiffCoeffs(self)
- Mixture-averaged diffusion coefficients.
- molarFluxes(self, state1, state2, delta)
- multiDiffCoeffs(self)
- Two-dimensional array of species multicomponent diffusion
coefficients. Not implemented in all transport managers.
- setParameters(self, type, k, params)
- Set model-specific parameters.
- switchTransportModel(self, model)
- Switch to a different transport model.
- thermalConductivity(self)
- Thermal conductivity. [W/m/K].
- thermalDiffCoeffs(self)
- Return a one-dimensional array of the species thermal diffusion
coefficients. Not implemented in all transport models.
- transport_hndl(self)
- For internal use.
- transport_id(self)
- For internal use.
- viscosity(self)
- Viscosity [Pa-s].
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