2528df0f75
These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
348 lines
13 KiB
Python
348 lines
13 KiB
Python
"""
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This module implements class ThermoPhase, a class representing
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thermodynamic phases.
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"""
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from Cantera.num import zeros
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from Cantera.Phase import Phase
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import _cantera
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import types
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def thermoIndex(id):
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return _cantera.thermo_thermoIndex(id)
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class ThermoPhase(Phase):
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"""
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A phase with an equation of state.
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Class ThermoPhase may be used to represent the intensive
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thermodynamic state of a phase of matter, which might be a gas,
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liquid, or solid. Class ThermoPhase extends class Phase by
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providing methods that require knowledge of the equation of state.
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Class ThermoPhase is not usually instantiated directly. It is used
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as base class for classes Solution and Interface.
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@see Solution, Interface
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"""
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# used in the 'equilibrate' method
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_equilmap = {'TP':104,'TV':100,'HP':101,'SP':102,'SV':107,'UV':105,
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'PT':104,'VT':100,'PH':101,'PS':102,'VS':107,'VU':105}
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def __init__(self, xml_phase=None, index=-1):
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"""
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xml_phase - CTML node specifying the attributes of this phase
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index - optional. If positive, create only a Python wrapper for
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an existing kernel object, instead of creating a new kernel object.
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The value of 'index' is the integer index number to reference the
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existing kernel object.
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"""
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self._phase_id = 0
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self._owner = 0
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self.idtag = ""
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if index >= 0:
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# create a Python wrapper for an existing kernel
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# ThermoPhase instance
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self._phase_id = index
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elif xml_phase:
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# create a new kernel instance from an XML specification
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self._phase_id = _cantera.ThermoFromXML(xml_phase._xml_id)
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self.idtag = xml_phase["id"]
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self._owner = 1
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else:
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raise CanteraError('either xml_phase or index must be specified')
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def __del__(self):
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"""Delete the object. If it is the owner of the kernel object,
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this is also deleted."""
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if self._owner:
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_cantera.thermo_delete(self._phase_id)
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def name(self):
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"""The name assigned to the phase. The default value is the name
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attribute from the CTI file. But method setName can be used to
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set the name to anything desired, e.g. 'gas at inlet' or 'exhaust'
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"""
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return self.idtag
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def setName(self, name):
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""" Set the name attribute. This can be any string"""
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self.idtag = name
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def refPressure(self):
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"""Reference pressure [Pa].
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All standard-state thermodynamic properties are for this pressure.
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"""
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return _cantera.thermo_refpressure(self._phase_id)
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def minTemp(self, sp=None):
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""" Minimum temperature for which thermodynamic property fits
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are valid. If a species is specified (by name or number),
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then the minimum temperature is for only this
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species. Otherwise it is the lowest temperature for which the
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properties are valid for all species. """
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if not sp:
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return _cantera.thermo_mintemp(self._phase_id, -1)
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else:
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return _cantera.thermo_mintemp(self._phase_id,
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self.speciesIndex(sp))
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def maxTemp(self, sp=None):
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""" Maximum temperature for which thermodynamic property fits
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are valid. If a species is specified (by name or number),
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then the maximum temperature is for only this
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species. Otherwise it is the highest temperature for which the
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properties are valid for all species. """
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if not sp:
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return _cantera.thermo_maxtemp(self._phase_id, -1)
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else:
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return _cantera.thermo_maxtemp(self._phase_id,
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self.speciesIndex(sp))
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def enthalpy_mole(self):
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""" The molar enthalpy [J/kmol]."""
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return _cantera.thermo_getfp(self._phase_id,1)
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def intEnergy_mole(self):
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""" The molar internal energy [J/kmol]."""
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return _cantera.thermo_getfp(self._phase_id,2)
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def entropy_mole(self):
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""" The molar entropy [J/kmol/K]."""
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return _cantera.thermo_getfp(self._phase_id,3)
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def gibbs_mole(self):
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""" The molar Gibbs function [J/kmol]."""
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return _cantera.thermo_getfp(self._phase_id,4)
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def cp_mole(self):
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""" The molar heat capacity at constant pressure [J/kmol/K]."""
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return _cantera.thermo_getfp(self._phase_id,5)
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def cv_mole(self):
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""" The molar heat capacity at constant volume [J/kmol/K]."""
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return _cantera.thermo_getfp(self._phase_id,6)
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def pressure(self):
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""" The pressure [Pa]."""
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return _cantera.thermo_getfp(self._phase_id,7)
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def electricPotential(self):
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"""Electric potential [V]."""
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return _cantera.thermo_getfp(self._phase_id,25)
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def chemPotentials(self, species = []):
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"""Species chemical potentials.
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This method returns an array containing the species
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chemical potentials [J/kmol]. The expressions used to
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compute these depend on the model implemented by the
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underlying kernel thermo manager."""
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mu = _cantera.thermo_getarray(self._phase_id,20)
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return self.selectSpecies(mu, species)
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def elementPotentials(self, elements = []):
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"""Element potentials of the elements.
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This method returns an array containing the element potentials
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[J/kmol]. The element potentials are only defined for
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equilibrium states. This method first sets the composition to
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a state of equilibrium holding T and P constant, then computes
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the element potentials for this equilibrium state. """
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lamb = _cantera.thermo_getarray(self._phase_id,21)
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return self.selectElements(lamb, elements)
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def enthalpies_RT(self, species = []):
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"""Pure species non-dimensional reference state enthalpies.
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This method returns an array containing the pure-species
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standard-state enthalpies divided by RT. For gaseous species,
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these values are ideal gas enthalpies."""
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hrt = _cantera.thermo_getarray(self._phase_id,23)
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return self.selectSpecies(hrt, species)
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def entropies_R(self, species = []):
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"""Pure species non-dimensional entropies.
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This method returns an array containing the pure-species
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standard-state entropies divided by R. For gaseous species,
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these values are ideal gas entropies."""
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sr = _cantera.thermo_getarray(self._phase_id,24)
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return self.selectSpecies(sr, species)
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def gibbs_RT(self, species = []):
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"""Pure species non-dimensional Gibbs free energies.
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This method returns an array containing the pure-species
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standard-state Gibbs free energies divided by R.
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For gaseous species, these are ideal gas values."""
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grt = (_cantera.thermo_getarray(self._phase_id,23)
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- _cantera.thermo_getarray(self._phase_id,24))
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return self.selectSpecies(grt, species)
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def cp_R(self, species = []):
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"""Pure species non-dimensional heat capacities
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at constant pressure.
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This method returns an array containing the pure-species
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standard-state heat capacities divided by R. For gaseous
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species, these values are ideal gas heat capacities."""
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cpr = _cantera.thermo_getarray(self._phase_id,25)
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return self.selectSpecies(cpr, species)
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def setPressure(self, p):
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"""Set the pressure [Pa]."""
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_cantera.thermo_setfp(self._phase_id,1,p,0.0)
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def enthalpy_mass(self):
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"""Specific enthalpy [J/kg]."""
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return _cantera.thermo_getfp(self._phase_id,8)
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def intEnergy_mass(self):
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"""Specific internal energy [J/kg]."""
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return _cantera.thermo_getfp(self._phase_id,9)
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def entropy_mass(self):
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"""Specific entropy [J/kg/K]."""
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return _cantera.thermo_getfp(self._phase_id,10)
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def gibbs_mass(self):
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"""Specific Gibbs free energy [J/kg]."""
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return _cantera.thermo_getfp(self._phase_id,11)
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def cp_mass(self):
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"""Specific heat at constant pressure [J/kg/K]."""
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return _cantera.thermo_getfp(self._phase_id,12)
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def cv_mass(self):
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"""Specific heat at constant volume [J/kg/K]."""
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return _cantera.thermo_getfp(self._phase_id,13)
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def setState_TPX(self, t, p, x):
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"""Set the temperature [K], pressure [Pa], and
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mole fractions."""
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self.setTemperature(t)
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self.setMoleFractions(x)
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self.setPressure(p)
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def setState_TPY(self, t, p, y):
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"""Set the temperature [K], pressure [Pa], and
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mass fractions."""
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self.setTemperature(t)
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self.setMassFractions(y)
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self.setPressure(p)
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def setState_TP(self, t, p):
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"""Set the temperature [K] and pressure [Pa]."""
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self.setTemperature(t)
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self.setPressure(p)
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def setState_PX(self, p, x):
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"""Set the pressure [Pa], and mole fractions."""
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self.setMoleFractions(x)
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self.setPressure(p)
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def setState_PY(self, p, y):
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"""Set the pressure [Pa], and mass fractions."""
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self.setMassFractions(y)
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self.setPressure(p)
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def setState_HP(self, h, p):
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"""Set the state by specifying the specific enthalpy and
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the pressure."""
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_cantera.thermo_setfp(self._phase_id, 2, h, p)
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def setState_UV(self, u, v):
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"""Set the state by specifying the specific internal
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energy and the specific volume."""
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_cantera.thermo_setfp(self._phase_id, 3, u, v)
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def setState_SV(self, s, v):
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"""Set the state by specifying the specific entropy
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and the specific volume."""
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_cantera.thermo_setfp(self._phase_id, 4, s, v)
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def setState_SP(self, s, p):
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"""Set the state by specifying the specific entropy
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energy and the pressure."""
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_cantera.thermo_setfp(self._phase_id, 5, s, p)
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def setElectricPotential(self, v):
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"""Set the electric potential."""
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_cantera.thermo_setfp(self._phase_id, 6, v, 0);
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def equilibrate(self, XY, solver = -1, rtol = 1.0e-9,
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maxsteps = 1000, maxiter = 100, loglevel = 0):
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""" Set to a state of chemical equilibrium holding property pair
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'XY' constant.
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XY --- A two-letter string, which must be one of the set
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['TP','TV','HP','SP','SV','UV','PT','VT','PH','PS','VS','VU'].
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If H, U, S, or V is specified, the value must be the specific
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value (per unit mass)
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solver --- Specifies the equilibrium solver to use. If solver =
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0, a fast solver using the element potential method will be
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used. If solver > 0, a slower but more robust Gibbs
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minimization solver will be used. If solver < 0 or
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unspecified, the fast solver will be tried first, then if it
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fails the other will be tried.
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rtol -- the relative error tolerance.
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maxsteps -- maximum number of steps in composition to take to
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find a converged solution.
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maxiter -- for the Gibbs minimization solver only, this
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specifies the number of 'outer' iterations on T or P when some
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property pair other than TP is specified.
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loglevel -- set to a value > 0 to write diagnostic output to a
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file in HTML format. Larger values generate more detailed
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information. The file will be named 'equilibrate_log.html.'
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Subsequent files will be named 'equillibrate_log1.html', etc.,
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so that log files are not overwritten.
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"""
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_cantera.thermo_equil(self._phase_id, XY, solver,
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rtol, maxsteps, maxiter, loglevel)
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def saveState(self):
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"""Return an array with state information that can later be
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used to restore the state."""
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state = zeros(self.nSpecies()+2,'d')
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state[0] = self.temperature()
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state[1] = self.density()
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state[2:] = self.massFractions()
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return state
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def restoreState(self, s):
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"""Restore the state to that stored in array s."""
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self.setState_TRY(s[0], s[1], s[2:])
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def thermophase(self):
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"""Return the integer index that is used to
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reference the kernel object. For internal use."""
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return self._phase_id
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def thermo_hndl(self):
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"""Return the integer index that is used to
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reference the kernel object. For internal use."""
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return self._phase_id
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