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Added gas-phse kinetics to RedlichKwongMFTP class

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This commit is contained in:
Steven DeCaluwe 2014-04-25 11:49:32 +00:00
parent b84f19c439
commit 06a88b70eb
1 changed files with 13 additions and 7 deletions
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20
interfaces/cython/cantera/ctml_writer.py
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@ -927,7 +927,7 @@ class gas_transport(transport):
"""
def __init__(self, geom = 'nonlin',
diam = 0.0, well_depth = 0.0, dipole = 0.0,
polar = 0.0, rot_relax = 0.0):
polar = 0.0, rot_relax = 0.0, omega_ac = 0.0):
"""
:param geom:
A string specifying the molecular geometry. One of ``atom``,
@ -943,6 +943,9 @@ class gas_transport(transport):
:param rot_relax:
The rotational relaxation collision number at 298 K. Dimensionless.
Default: 0.0
:param w_ac:
Pitzer's acentric factor. Dimensionless.
Default: 0.0
"""
self._geom = geom
self._diam = diam
@ -950,6 +953,7 @@ class gas_transport(transport):
self._dipole = dipole
self._polar = polar
self._rot_relax = rot_relax
self._w_ac = omega_ac
def build(self, t):
#t = s.addChild("transport")
@ -962,6 +966,7 @@ class gas_transport(transport):
addFloat(t, "dipoleMoment", (self._dipole, 'Debye'),'%8.3f')
addFloat(t, "polarizability", (self._polar, 'A3'),'%8.3f')
addFloat(t, "rotRelax", self._rot_relax,'%8.3f')
addFloat(t, "omega_ac", self._w_ac, '%8.3f')
class rate_expression(object):
pass
@ -2233,20 +2238,20 @@ class RedlichKwongMFTP(phase):
elements = '',
species = '',
note = '',
reactions = 'none',
kinetics = 'GasKinetics',
initial_state = None,
activity_coefficients = None,
transport = 'None',
options = []):
phase.__init__(self,name, 3, elements, species, note, 'none',
phase.__init__(self,name, 3, elements, species, note, reactions,
initial_state,options)
self._pure = 0
self._kin = kinetics
self._tr = transport
self._activityCoefficients = activity_coefficients
def conc_dim(self):
return (0,0)
def build(self, p):
ph = phase.build(self,p)
e = ph.child("thermo")
@ -2263,8 +2268,9 @@ class RedlichKwongMFTP(phase):
if self._tr:
t = ph.addChild('transport')
t['model'] = self._tr
k = ph.addChild("kinetics")
k['model'] = 'none'
if self._kin:
k = ph.addChild("kinetics")
k['model'] = self._kin
class redlich_kwong(phase):