Editing Pitzer's acentric factor initialization

This commit is contained in:
Steven DeCaluwe 2014-04-25 11:49:34 +00:00
parent 06a88b70eb
commit 710393308d

View file

@ -923,11 +923,11 @@ class transport(object):
class gas_transport(transport):
"""
Species-specific Transport coefficients for ideal gas transport models.
Species-specific Transport coefficients for gas-phase transport models.
"""
def __init__(self, geom = 'nonlin',
diam = 0.0, well_depth = 0.0, dipole = 0.0,
polar = 0.0, rot_relax = 0.0, omega_ac = 0.0):
polar = 0.0, rot_relax = 0.0, acentric_factor = 0.0):
"""
:param geom:
A string specifying the molecular geometry. One of ``atom``,
@ -953,7 +953,7 @@ class gas_transport(transport):
self._dipole = dipole
self._polar = polar
self._rot_relax = rot_relax
self._w_ac = omega_ac
self._w_ac = acentric_factor
def build(self, t):
#t = s.addChild("transport")
@ -966,7 +966,8 @@ 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')
if self._w_ac is not None:
addFloat(t, "acentric_factor", self._w_ac, '%8.3f')
class rate_expression(object):
pass