def _calc_a(self, y_C, y_H, y_O, y_N, y_S):
"""
Calculate the mean atomic weight for the specified element mass
fractions.
:param y_C: Carbon mass fraction
:param y_H: Hydrogen mass fraction
:param y_O: Oxygen mass fraction
:param y_N: Nitrogen mass fraction
:param y_S: Sulphur mass fraction
:returns: [kg/kmol] mean atomic weight
See equation at bottom of page 538 of Merrick1983a.
"""
return 1 / (y_C / mm("C") + y_H / mm("H") + y_O / mm("O") +
y_N / mm("N") + y_S / mm("S"))
def molar_mass(compound):
"""
Determine the molar mass of a chemical compound.
:param compound: Formula of a chemical compound, e.g. 'Fe2O3'.
:returns: [kg/mol] Molar mass.
"""
return mm(compound) / 1000.0
def molar_mass(compound):
"""
Determine the molar mass of a chemical compound.
:param compound: Formula of a chemical compound, e.g. 'Fe2O3'.
:returns: [kg/mol] Molar mass.
"""
return mm(compound) / 1000.0
def _create_x_and_mm(self):
x = {}
x['N2'] = random.uniform(0.0, 10.0)
x['O2'] = random.uniform(0.0, 10.0)
x['Ar'] = random.uniform(0.0, 10.0)
x['H2O'] = random.uniform(0.0, 10.0)
total = sum(x.values())
x = {key: x[key]/total for key in x.keys()}
molar_mass = sum([x[key]*mm(key) for key in x.keys()])
return x, molar_mass
def _create_x_and_mm(self):
x = {
'N2': random.uniform(0.0, 10.0),
'O2': random.uniform(0.0, 10.0),
'Ar': random.uniform(0.0, 10.0),
'H2O': random.uniform(0.0, 10.0)
}
total = sum(x.values())
x = {key: x[key] / total for key in x.keys()}
molar_mass = sum([x[key] * mm(key) for key in x.keys()])
return x, molar_mass
def __init__(self, dictionary):
self.formula = dictionary['Formula']
"""Chemical formula, e.g. 'Fe', 'CO2'."""
self.molar_mass = mm(self.formula) / 1000.0
"""Molar mass. [kg/mol]"""
self._phases = {}
"""Dictionary containing the compound's phase objects."""
if 'Reference' in dictionary:
self.reference = dictionary['Reference']
else:
self.reference = ""
"""Reference to the publisher of the thermo data."""
for k, v in dictionary['Phases'].items():
self._phases[k] = Phase(v)
def __init__(self, dictionary):
self.formula = dictionary['Formula']
"""Chemical formula, e.g. 'Fe', 'CO2'."""
self.molar_mass = mm(self.formula) / 1000.0
"""Molar mass. [kg/mol]"""
self._phases = {}
"""Dictionary containing the compound's phase objects."""
if 'Reference' in dictionary:
self.reference = dictionary['Reference']
else:
self.reference = ""
"""Reference to the publisher of the thermo data."""
for k, v in dictionary['Phases'].items():
if not 'Symbol' in v:
v['Symbol'] = k
self._phases[k] = Phase(v)
def calculate(self, **state):
"""
Calculate the density at the specified temperature, pressure, and
composition.
:param T: [K] temperature
:param P: [Pa] pressure
:param x: [mole fraction] dictionary of compounds and mole fractions
:returns: [kg/m3] density
The **state parameter contains the keyword argument(s) specified above\
that are used to describe the state of the material.
"""
super().calculate(**state)
mm_average = 0.0
for compound, molefraction in state['x'].items():
mm_average += molefraction * mm(compound)
mm_average /= 1000.0
return mm_average * state['P'] / R / state['T']
def calculate(self, **state):
"""
Calculate the density at the specified temperature, pressure, and
composition.
:param T: [K] temperature
:param P: [Pa] pressure
:param x: [mole fraction] dictionary of compounds and mole fractions
:returns: [kg/m3] density
The **state parameter contains the keyword argument(s) specified above\
that are used to describe the state of the material.
"""
super().calculate(**state)
mm_average = 0.0
for compound, molefraction in state['x'].items():
mm_average += molefraction * mm(compound)
mm_average /= 1000.0
return mm_average * state['P'] / R / state['T']
