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Dave Goodwin 2004-03-16 19:55:46 +00:00
parent 2745d841dc
commit 275075c895
4 changed files with 99 additions and 25 deletions
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88
Cantera/python/Cantera/Reactor.py
View file

@ -1,12 +1,12 @@
"""
Zero-dimensional reactors. More text.
Zero-dimensional reactors.
"""
import _cantera
from Numeric import array, zeros
import types
class ReactorBase:
"""Base class for reactors."""
@ -25,11 +25,11 @@ class ReactorBase:
self._walls = []
self._name = name
self._verbose = verbose
if contents:
self.insert(contents)
self.insert(contents)
self.setInitialVolume(volume)
self.setEnergy(energy)
def __del__(self):
"""Delete the reactor instance."""
if self._verbose:
@ -37,9 +37,19 @@ class ReactorBase:
_cantera.reactor_del(self.__reactor_id)
def __str__(self):
return self._name
s = self._name
if self._contents:
s += ": \n"+`self._contents`
return s
def __repr__(self):
s = self._name
if self._contents:
s += ": \n"+`self._contents`
return s
def name(self):
"""Reactor name."""
return self._name
def reactor_id(self):
@ -52,14 +62,15 @@ class ReactorBase:
Insert 'contents' into the reactor. Sets the objects used to compute
thermodynamic properties and kinetic rates.
"""
self.contents = contents
_cantera.reactor_setThermoMgr(self.__reactor_id, contents._phase_id)
_cantera.reactor_setKineticsMgr(self.__reactor_id, contents.ckin)
self._contents = contents
if contents:
_cantera.reactor_setThermoMgr(self.__reactor_id, contents._phase_id)
_cantera.reactor_setKineticsMgr(self.__reactor_id, contents.ckin)
def setInitialTime(self, t0):
"""Set the initial time. Restarts integration from this time
using the current state as the initial condition. weDefault: 0.0 s"""
using the current state as the initial condition. Default: 0.0 s"""
_cantera.reactor_setInitialTime(self.__reactor_id, t0)
def setInitialVolume(self, t0):
@ -67,8 +78,10 @@ class ReactorBase:
_cantera.reactor_setInitialVolume(self.__reactor_id, t0)
def setEnergy(self, e):
"""Turn the energy equation on or off. If off, the reactor
temperature is held constant."""
"""Turn the energy equation on or off. If the argument is the
string 'off' or the number 0, the energy equation is disabled,
and the reactor temperature is held constant at its initial
value."""
ie = 1
if e == 'off' or e == 0:
ie = 0
@ -113,24 +126,26 @@ class ReactorBase:
def advance(self, time):
"""Advance the state of the reactor in time from the current
time to time 'time'. Note: this method is deprecated. See class ReactorNet."""
time to time 'time'. Note: this method is deprecated. See
class ReactorNet."""
return _cantera.reactor_advance(self.__reactor_id, time)
def step(self, time):
"""Advance the state of the reactor in time from the current
time to time 'time'. Note: this method is deprecated. See class ReactorNet."""
"""Take one internal time step from the current time toward
time 'time'. Note: this method is deprecated. See class
ReactorNet."""
return _cantera.reactor_step(self.__reactor_id, time)
def massFraction(self, k):
"""Mass fraction of species k."""
if type(k) == types.StringType:
kk = self.contents.speciesIndex(k)
kk = self._contents.speciesIndex(k)
else:
kk = k
return _cantera.reactor_massFraction(self.__reactor_id, kk)
def massFractions(self):
nsp = self.contents.nSpecies()
nsp = self._contents.nSpecies()
y = zeros(nsp,'d')
for k in range(nsp):
y[k] = self.massFraction(k)
@ -138,40 +153,67 @@ class ReactorBase:
def moleFractions(self):
y = self.massFractions()
self.contents.setMassFractions(y)
return self.contents.moleFractions()
self._contents.setMassFractions(y)
return self._contents.moleFractions()
def inlets(self):
"""Return the list of flow devices installed on inlets to this reactor."""
return self._inlets
def outlets(self):
"""Return the list of flow devices installed on outlets
on this reactor."""
return self._outlets
def walls(self):
"""Return the list of walls installed on this reactor."""
return self._walls
def _addInlet(self, inlet):
"""For internal use"""
"""For internal use. Store a reference to 'inlet'
so that it will not be deleted before this object."""
self._inlets.append(inlet)
def _addOutlet(self, outlet):
"""For internal use. Store a reference to 'outlet'
so that it will not be deleted before this object."""
self._outlets.append(outlet)
def _addWall(self, wall):
"""For internal use. Store a reference to 'wall'
so that it will not be deleted before this object."""
self._walls.append(wall)
def updateContents(self):
"""Set the state of the object representing the reactor contents
to the current reactor state."""
self._contents.setState_TRY(self.temperature(),
self.density(),
self.massFractions())
def contents(self):
updateContents()
return self._contents
_reactorcount = 0
_reserviorcount = 0
class Reactor(ReactorBase):
"""
A reactor.
"""
def __init__(self, contents = None, name = '<reactor>',
def __init__(self, contents = None, name = '',
volume = 1.0, energy = 'on',
verbose = 0):
"""
Create a Reactor instance, and if 'contents' is specified,
insert it.
"""
global _reactorcount
if name == '':
name = 'Reactor_'+`_reactorcount`
_reactorcount += 1
ReactorBase.__init__(self, contents = contents, name = name,
volume = volume, energy = energy,
verbose = verbose, type = 1)
@ -184,6 +226,10 @@ class Reservoir(ReactorBase):
nothing.
"""
def __init__(self, contents = None, name = '<reservoir>', verbose = 0):
global _reservoircount
if name == '':
name = 'Reservoir_'+`_reservoircount`
_reservoircount += 1
ReactorBase.__init__(self, contents = contents,
name = name, verbose = verbose, type = 2)

19
Cantera/python/Cantera/ThermoPhase.py
View file

@ -10,7 +10,6 @@ def thermoIndex(id):
return _cantera.thermo_thermoIndex(id)
class ThermoPhase(Phase):
""" Class ThermoPhase may be used to represent the intensive state
of a homogeneous phase of matter, which might be a gas, liquid, or solid.
"""
@ -229,6 +228,7 @@ class ThermoPhase(Phase):
_cantera.thermo_setfp(self._phase_id, 5, s, p)
def setElectricPotential(self, v):
"""Set the electric potential."""
_cantera.thermo_setfp(self._phase_id, 6, v, 0);
def equilibrate(self, XY):
@ -263,12 +263,29 @@ class ThermoPhase(Phase):
return _cantera.thermo_getfp(self._phase_id,53)
def setState_Psat(self, p, vaporFraction):
"""Set the state of a saturated liquid/vapor mixture by
specifying the pressure and vapor fraction."""
_cantera.thermo_setfp(self._phase_id,8, p, vaporFraction)
def setState_Tsat(self, t, vaporFraction):
"""Set the state of a saturated liquid/vapor mixture by
specifying the temperature and vapor fraction."""
_cantera.thermo_setfp(self._phase_id,7, t, vaporFraction)
def saveState(self):
"""Return an array with state information that can later be
used to restore the state."""
state = zeros(self.nSpecies()+2,'d')
state[0] = self.temperature()
state[1] = self.density()
state[2:] = self.massFractions()
return state
def restoreState(self, s):
"""Restore the state to that stored in array s."""
self.setState_TRY(state[0], state[1], state[2:])
def thermophase(self):
"""Return the integer index that is used to
reference the kernel object. For internal use."""

16
Cantera/python/Cantera/solution.py
View file

@ -1,7 +1,4 @@
"""
"""
#import string
import os
from constants import *
@ -66,5 +63,18 @@ class Solution(ThermoPhase, Kinetics, Transport):
return _cantera.phase_report(self._phase_id, self.verbose)
def 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
"""
setByName(self, options)

1
Cantera/src/zeroD/Reactor.cpp
View file

@ -55,6 +55,7 @@ namespace Cantera {
return;
}
m_time = t0;
m_mix->restoreState(m_state);
// total mass
doublereal mass = m_mix->density() * m_vol;