diff --git a/interfaces/python/ctml_writer.py b/interfaces/python/ctml_writer.py index a1e011312..1ad63d341 100644 --- a/interfaces/python/ctml_writer.py +++ b/interfaces/python/ctml_writer.py @@ -904,7 +904,7 @@ 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, omega_ac = 0.0): + polar = 0.0, rot_relax = 0.0): """ :param geom: A string specifying the molecular geometry. One of ``atom``, @@ -920,9 +920,6 @@ 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 @@ -930,7 +927,6 @@ 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") @@ -943,7 +939,6 @@ 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 @@ -2194,20 +2189,20 @@ 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, reactions, + phase.__init__(self,name, 3, elements, species, note, 'none', 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") @@ -2224,9 +2219,8 @@ class RedlichKwongMFTP(phase): if self._tr: t = ph.addChild('transport') t['model'] = self._tr - if self._kin: - k = ph.addChild("kinetics") - k['model'] = self._kin + k = ph.addChild("kinetics") + k['model'] = 'none' class redlich_kwong(phase):