def setUp(self):
"""
A function run before each unit test in this class.
"""
self.Tmin = 350.
self.Tmax = 1500.
self.Pmin = 1e-1
self.Pmax = 1e1
self.pressures = numpy.array([1e-1, 1e1])
self.comment = 'CH3 + C2H6 <=> CH4 + C2H5 (Baulch 2005)'
self.arrhenius = [
PDepArrhenius(
pressures=(self.pressures, "bar"),
arrhenius=[
Arrhenius(
A=(9.3e-16, "cm^3/(molecule*s)"),
n=0.0,
Ea=(4740 * constants.R * 0.001, "kJ/mol"),
T0=(1, "K"),
Tmin=(self.Tmin, "K"),
Tmax=(self.Tmax, "K"),
comment=self.comment,
),
Arrhenius(
A=(9.3e-14, "cm^3/(molecule*s)"),
n=0.0,
Ea=(4740 * constants.R * 0.001, "kJ/mol"),
T0=(1, "K"),
Tmin=(self.Tmin, "K"),
Tmax=(self.Tmax, "K"),
comment=self.comment,
),
],
Tmin=(self.Tmin, "K"),
Tmax=(self.Tmax, "K"),
Pmin=(self.Pmin, "bar"),
Pmax=(self.Pmax, "bar"),
comment=self.comment,
),
PDepArrhenius(
pressures=(self.pressures, "bar"),
arrhenius=[
Arrhenius(
A=(1.4e-11, "cm^3/(molecule*s)"),
n=0.0,
Ea=(11200 * constants.R * 0.001, "kJ/mol"),
T0=(1, "K"),
Tmin=(self.Tmin, "K"),
Tmax=(self.Tmax, "K"),
comment=self.comment,
),
Arrhenius(
A=(1.4e-9, "cm^3/(molecule*s)"),
n=0.0,
Ea=(11200 * constants.R * 0.001, "kJ/mol"),
T0=(1, "K"),
Tmin=(self.Tmin, "K"),
Tmax=(self.Tmax, "K"),
comment=self.comment,
),
],
Tmin=(self.Tmin, "K"),
Tmax=(self.Tmax, "K"),
Pmin=(self.Pmin, "bar"),
Pmax=(self.Pmax, "bar"),
comment=self.comment,
),
]
self.kinetics = MultiPDepArrhenius(
arrhenius=self.arrhenius,
Tmin=(self.Tmin, "K"),
Tmax=(self.Tmax, "K"),
Pmin=(self.Pmin, "bar"),
Pmax=(self.Pmax, "bar"),
comment=self.comment,
)
