sa_dict['thermo'][observable][label].append(rms.getconcentrationsensitivity(
self.bsol, observable, label, t))
# get kinetics SA coefficients
sa_dict['kinetics'][observable] = dict()
for rxn_number in range(num_rxns):
sa_dict['kinetics'][observable][rxn_number] = list()
for t in sa_dict['time']:
sa_dict['kinetics'][observable][rxn_number].append(rms.getconcentrationsensitivity(
self.bsol, observable, rxn_number, t))
return sa_dict
def get_idt_by_T(self):
"""
Finds the ignition point by approximating dT/dt as a first order forward difference
and then finds the point of maximum slope. Since this adapter simulates at constant T, this method
returns a dictionary whose values are empty lists.
Returns:
idt_dict (dict): Dictionary whose keys include 'idt' and 'idt_index' and whose values are lists of
the ignition delay time in seconds and index at which idt occurs respectively.
"""
idt_dict = {'idt': list(),
'idt_index': list(),
}
return idt_dict
register_simulate_adapter("RMSConstantTP", RMSConstantTP)
V0 = None
self.reinitialize_simulation(
T0=T0,
P0=P0,
X0=condition.mol_frac,
V0=V0,
)
if criteria == 'mol_frac':
x0 = self.model.X[spc_index]
elif criteria == 'mass_frac':
x0 = self.model.mass_fraction_dict()[species]
else:
raise ValueError(f'Invalid criteria: {criteria}')
while True:
self.cantera_simulation.step()
if criteria == 'mol_frac':
x1 = self.model.X[spc_index]
else:
x1 = self.model.mass_fraction_dict()[species]
if x1 < x0 * 0.5:
break
t50_list.append(self.cantera_simulation.time)
return t50_list
register_simulate_adapter("CanteraConstantUV", CanteraConstantUV)
P0 = condition.P0.value_si
V0 = None
self.reinitialize_simulation(T0=T0,
P0=P0,
X0=condition.mol_frac,
V0=V0,
)
if criteria == 'mol_frac':
x0 = self.model.X[spc_index]
elif criteria == 'mass_frac':
x0 = self.model.mass_fraction_dict()[species]
else:
raise ValueError(f'Invalid criteria: {criteria}')
while True:
self.cantera_simulation.step()
if criteria == 'mol_frac':
x1 = self.model.X[spc_index]
else:
x1 = self.model.mass_fraction_dict()[species]
if x1 < x0 * 0.5:
break
t50_list.append(self.cantera_simulation.time)
return t50_list
register_simulate_adapter("CanteraConstantTP", CanteraConstantTP)
sa_dict['kinetics'][observable][rxn_number] = list()
for t in sa_dict['time']:
sa_dict['kinetics'][observable][rxn_number].append(
rms.getconcentrationsensitivity(
self.bsol, observable, rxn_number, t))
return sa_dict
def get_idt_by_T(self):
"""
Finds the ignition point by approximating dT/dt as a first order forward difference
and then finds the point of maximum slope.
Returns:
idt_dict (dict): Dictionary whose keys include 'idt' and 'idt_index' and whose values are lists of
the ignition delay time in seconds and index at which idt occurs respectively.
"""
idt_dict = {
'idt': list(),
'idt_index': list(),
}
time = self.sol.t
temperature = np.array([self.sol(t)[-2] for t in self.sol.t])
dTdt = np.diff(temperature) / np.diff(time)
idt_dict['idt_index'].append(int(np.argmax(dTdt)))
idt_dict['idt'].append(time[idt_dict['idt_index'][0]])
return idt_dict
register_simulate_adapter("RMSConstantUV", RMSConstantUV)