Editing Pitzer's acentric factor initialization
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1 changed files with 5 additions and 4 deletions
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@ -923,11 +923,11 @@ class transport(object):
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class gas_transport(transport):
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"""
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Species-specific Transport coefficients for ideal gas transport models.
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Species-specific Transport coefficients for gas-phase transport models.
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"""
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def __init__(self, geom = 'nonlin',
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diam = 0.0, well_depth = 0.0, dipole = 0.0,
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polar = 0.0, rot_relax = 0.0, omega_ac = 0.0):
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polar = 0.0, rot_relax = 0.0, acentric_factor = 0.0):
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"""
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:param geom:
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A string specifying the molecular geometry. One of ``atom``,
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@ -953,7 +953,7 @@ class gas_transport(transport):
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self._dipole = dipole
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self._polar = polar
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self._rot_relax = rot_relax
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self._w_ac = omega_ac
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self._w_ac = acentric_factor
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def build(self, t):
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#t = s.addChild("transport")
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@ -966,7 +966,8 @@ class gas_transport(transport):
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addFloat(t, "dipoleMoment", (self._dipole, 'Debye'),'%8.3f')
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addFloat(t, "polarizability", (self._polar, 'A3'),'%8.3f')
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addFloat(t, "rotRelax", self._rot_relax,'%8.3f')
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addFloat(t, "omega_ac", self._w_ac, '%8.3f')
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if self._w_ac is not None:
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addFloat(t, "acentric_factor", self._w_ac, '%8.3f')
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class rate_expression(object):
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pass
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