def establish_processor(self, loop_counter=0):
if loop_counter == 0 and self.master_equation_flag == False:
new_file, original_rxn_eqs, master_rxn_eqs = ctic.cti_write2(
original_cti=os.path.join(self.data_directory,
self.cti_file_name),
working_directory=self.data_directory,
file_name=self.cti_file_name.replace('.cti', '') + '_updated')
self.new_cti_file = new_file
if loop_counter == 0 and self.master_equation_flag == True:
new_file, original_rxn_eqs, master_rxn_eqs = ctic.cti_write2(
original_cti=os.path.join(self.data_directory,
self.cti_file_name),
master_rxns=os.path.join(
self.data_directory,
self.master_reaction_equation_cti_name),
master_index=self.master_index,
working_directory=self.data_directory,
file_name=self.cti_file_name.replace('.cti', '') + '_updated')
self.new_cti_file = new_file
processor = pr.Processor(self.new_cti_file)
#processor = pr.Processor(self.data_directory +'/'+ self.cti_file_name)
self.processor = processor
return
N2 = df['N2']
wavelength = 210
for i in range(df.shape[0]):
Press = pressure[i]
Temp = temperature[i]
k_value = k[i]
Cl2_mf = Cl2[i]
CH3OH_mf = CH3OH[i]
HO2_mf = HO2[i]
N2_mf = N2[i]
species_list = [HO2_mf,N2_mf]
species_string = ['ho2','n2']
uncertainty_string = [2.3,2.3,2.3,2.3]
#
#
test_p = pr.Processor('MSI/data/automating_lightfoot_1988/i-pentanol_one_reaction.cti')
test_p.solution.set_multiplier(k_value,i_reaction=0)
print(test_p.solution.multiplier(0))
conditions_dict = {}
temp_uncertainty = []
temp_uncertainty_species = []
for ii,specie in enumerate(species_list):
if specie !=0.0:
conditions_dict[species_string[ii]] = specie
if species_string[ii] != 'Ar':
temp_uncertainty.append(uncertainty_string[ii])
temp_uncertainty_species.append(species_string[ii])
test_tube = st.shockTube(pressure=Press,
temperature=Temp,
observables=['h2o2','ho2'],
Press = pressure[i]
Temp = temperature[i]
k_value = k[i]
O2_mf = O2[i]
OH_mf = OH[i]
H_mf = H[i]
H2O_mf = H2O[i]
NH3_mf = NH3[i]
NH2_mf = NH2[i]
Ar_mf = Ar[i]
species_list = [O2_mf,OH_mf,H_mf,H2O_mf,NH3_mf,NH2_mf, Ar_mf]
species_string = ['O2','OH','H','H2O','NH3','NH2','Ar']
uncertainty_string = [.05,2.3,2.3,.05,.05,2.3,0]
test_p = pr.Processor('MSI/data/automating_HO2/one_reaction.cti')
test_p.solution.set_multiplier(k_value,i_reaction=0)
print(test_p.solution.multiplier(0))
conditions_dict = {}
temp_uncertainty = []
temp_uncertainty_species = []
for ii,specie in enumerate(species_list):
if specie !=0.0:
conditions_dict[species_string[ii]] = specie
if species_string[ii] != 'Ar':
temp_uncertainty.append(uncertainty_string[ii])
temp_uncertainty_species.append(species_string[ii])
print(conditions_dict)
test_tube = st.shockTube(pressure=Press,
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import os
os.chdir('C:\\Users\\Skoron\\Desktop')
import MSI.simulations.instruments.flames as f
import MSI.cti_core.cti_processor as pr
import cantera as ct
import matplotlib.pyplot as plt
import numpy as np
test_p = pr.Processor(
'C:\\Users\\Skoron\\Google Drive\\Burke Group\\Codes\\Mechanisms\\FFCM-1\\FFCM1.cti'
)
f1 = f.flamespeed_multi_condition(pressures=[1.00],
temperatures=[298.0],
kineticSens=1,
physicalSens=0,
conditions=[{
'H2': 0.5,
'O2': 0.5,
'He': 4.0
}, {
'H2': 0.75,
'O2': 0.5,
'He': 4.0
}, {
'H2': 1.0,
'O2': 0.5,
'He': 4.0
import sys
import sys, os
sys.path.append(
'../../'
) #get rid of this at some point with central test script or when package is built
os.chdir('../../')
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.optimization.matrix_loader as ml
import MSI.optimization.opt_runner as opt
import MSI.simulations.absorbance.curve_superimpose as csp
import MSI.simulations.yaml_parser as yp
import cantera as ct
#
test_p = pr.Processor(
'/Users/carlylagrotta/Desktop/MSI/data/test_data/FFCM1_custom.cti')
yaml_file_list = [
('MSI/data/test_data/Hong_4.yaml', 'MSI/data/test_data/Hong_4_abs.yaml'),
('MSI/data/test_data/Hong_1.yaml', ),
('MSI/data/test_data/Troe_6.yaml', 'MSI/data/test_data/Troe_6_abs.yaml'),
('MSI/data/test_data/Hong_4.yaml', 'MSI/data/test_data/Hong_4_abs.yaml')
]
yaml_instance = yp.Parser()
list_of_yaml_objects = yaml_instance.load_yaml_list(yaml_list=yaml_file_list)
list_of_experiment_dicts = yaml_instance.parsing_multiple_dictonaries(
list_of_yaml_objects=list_of_yaml_objects)
optimization_instance = opt.Optimization_Utility()
test = optimization_instance.looping_over_parsed_yaml_files(
list_of_experiment_dicts,
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import cantera as ct
import time
### testing FFCM
start = time.time()
gas = ct.Solution('MSI/data/test_data/FFCM1.cti')
all_species = gas.species_names
test_p = pr.Processor('MSI/data/test_data/FFCM1.cti')
test_tube = st.shockTube(pressure=1.74,
temperature=1880,
observables=all_species,
kineticSens=1,
physicalSens=0,
conditions={
'H2O': .013,
'O2': .0099,
'H': .0000007,
'Ar': 0.9770993
},
initialTime=0,
finalTime=0.1,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
import sys
sys.path.append('.') #get rid of this at some point with central test script or when package is built
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.simulations.absorbance.curve_superimpose as csp
import MSI.simulations.yaml_parser as yp
import cantera as ct
test_p = pr.Processor('MSI/data/test_data/optimized_burke.cti')
test_tube = st.shockTube(pressure=3.44187,
temperature=1079,
observables=['OH','H2O'],
kineticSens=1,
physicalSens=0,
conditions={'H2O2':0.00195373,'Ar':0.99804627},
initialTime=0,
finalTime=0.0014,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
save_timeHistories=1,
save_physSensHistories=1)
test_tube.run()
parser = yp.Parser()
abs_instance = csp.Absorb()
exp_loaded = parser.load_to_obj('MSI/data/test_data/Troe_6.yaml')
abs_loaded = parser.load_to_obj('MSI/data/test_data/Troe_6_abs.yaml')
H2 = df['H2']
O = df['O']
He = df['He']
for i in range(df.shape[0]):
Press = pressure[i]
Temp = temperature[i]
k_value = k[i]
O_mf = O[i]
H2_mf = H2[i]
He_mf = He[i]
species_list = [O_mf, H2_mf, He_mf]
species_string = ['O', 'H2', 'He']
uncertainty_string = [2.3, .05, 0]
test_p = pr.Processor(
'MSI/data/automating_O_H2_sutherland/one_reaction.cti')
test_p.solution.set_multiplier(k_value, i_reaction=0)
print(test_p.solution.multiplier(0))
conditions_dict = {}
temp_uncertainty = []
temp_uncertainty_species = []
for ii, specie in enumerate(species_list):
if specie != 0.0:
conditions_dict[species_string[ii]] = specie
if species_string[ii] != 'Ar':
temp_uncertainty.append(uncertainty_string[ii])
temp_uncertainty_species.append(species_string[ii])
test_tube = st.shockTube(pressure=Press,
temperature=Temp,
observables=['OH'],
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.utilities.uncertainty_merge as um
import cantera as ct
test_p = pr.Processor('MSI/data/test_data/glarborg_custom.cti')
reaction_equations = test_p.solution.reaction_equations()
#df = um.get_uncertainties(reaction_equations,uncert_file='MSI/data/test_data/uncertainty.csv')
df = um.get_uncertainties(
reaction_equations,
uncert_file='MSI/data/test_data/FFCM1_reaction_uncertainty_FFCM_values.csv'
)
#test_tube = st.shockTube(pressure=1.355,
# temperature=1590,
# observables=['OH'],
# kineticSens=0,
# physicalSens=0,
# conditions={'H2O':.001234,'H2O2':.00254,'O2':.00062,'Ar':.995606},
# initialTime=0,
# finalTime=0.0025,
# thermalBoundary='Adiabatic',
# mechanicalBoundary='constant pressure',
# processor=test_p,
# save_timeHistories=1,
# save_physSensHistories=1)
He = df['He']
for i in range(df.shape[0]):
Press = pressure[i]
Temp = temperature[i]
k_value = k[i]
O_mf = O[i]
H2_mf = H2[i]
He_mf = He[i]
species_list = [O_mf,H2_mf,He_mf]
species_string = ['O','H2','He']
uncertainty_string = [2.3,.05,0]
test_p = pr.Processor('MSI/data/automating_O_H2_michael/one_reaction.cti')
test_p.solution.set_multiplier(k_value,i_reaction=0)
print(test_p.solution.multiplier(0))
conditions_dict = {}
temp_uncertainty = []
temp_uncertainty_species = []
for ii,specie in enumerate(species_list):
if specie !=0.0:
conditions_dict[species_string[ii]] = specie
if species_string[ii] != 'Ar':
temp_uncertainty.append(uncertainty_string[ii])
temp_uncertainty_species.append(species_string[ii])
test_tube = st.shockTube(pressure=Press,
temperature=Temp,
'../../'
) #get rid of this at some point with central test script or when package is built
os.chdir('../../')
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.optimization.matrix_loader as ml
import MSI.optimization.opt_runner as opt
import MSI.simulations.absorbance.curve_superimpose as csp
import MSI.simulations.yaml_parser as yp
import cantera as ct
import pandas as pd
#
#test_p = pr.Processor('C:\\Users\\Skoron\\Google Drive\\Burke Group\\Codes\\Mechanisms\\FFCM-1\\FFCM1.cti')
test_p = pr.Processor(
'MSI/data/DME-Methanol_Blends_RCM/DME-MeOH_combined_mech_Hongfu(Cantera).cti'
)
yaml_file_list = [('MSI/data/DME-Methanol_Blends_RCM_2/Wang_0_short.yaml', )]
yaml_instance = yp.Parser()
list_of_yaml_objects = yaml_instance.load_yaml_list(yaml_list=yaml_file_list)
list_of_experiment_dicts = yaml_instance.parsing_multiple_dictonaries(
list_of_yaml_objects=list_of_yaml_objects)
# # #
optimization_instance = opt.Optimization_Utility()
test = optimization_instance.looping_over_parsed_yaml_files(
list_of_experiment_dicts,
yaml_file_list,
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.simulations.absorbance.curve_superimpose as csp
import MSI.simulations.yaml_parser as yp
import cantera as ct
import pandas as pd
import matplotlib.pyplot as plt
test_p = pr.Processor('MSI/data/test_data/Hong.cti')
test_tube = st.shockTube(pressure=1.635,
temperature=1283,
observables=['OH', 'H2O'],
kineticSens=0,
physicalSens=0,
conditions={
'H2O2': 0.003094,
'H2O': 0.001113,
'O2': 0.000556,
'Ar': 0.999623
},
initialTime=0,
finalTime=0.001,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
save_timeHistories=1,
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import cantera as ct
import matplotlib.pyplot as plt
test_p = pr.Processor('MSI/data/test_data/hong_reproduction_of_data.cti')
test_tube = st.shockTube(pressure=1.653,
temperature=1283,
observables=['OH', 'H2O'],
kineticSens=0,
physicalSens=0,
conditions={
'H2O2': 0.003094,
'H2O': 0.001113,
'O2': 0.000556,
'Ar': 0.995237
},
initialTime=0,
finalTime=0.001,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
save_timeHistories=1,
save_physSensHistories=1)
test_tube.run()
test_tube.printVars()
import sys, os
sys.path.append(
'../../'
) #get rid of this at some point with central test script or when package is built
os.chdir('../../')
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.simulations.absorbance.curve_superimpose as csp
import MSI.simulations.yaml_parser as yp
import cantera as ct
import pandas as pd
import matplotlib.pyplot as plt
test_p = pr.Processor(
'MSI/data/branching_reaction_study/FFCM1_custom_cheb_extra_zeros_new_extra_reactions_precursor.cti'
)
test_tube = st.shockTube(pressure=0.772,
temperature=2188,
observables=['OH'],
kineticSens=0,
physicalSens=0,
conditions={
'CH3I': 0.000009954,
'CH3OH': 0.000006016,
'Ar': .999984
},
initialTime=0,
finalTime=0.004,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import os
os.chdir('C:\\Users\\HP USER\\Desktop')
#import MSI.simulations.instruments.flames as f
import MSI.cti_core.cti_processor as pr
import cantera as ct
import matplotlib.pyplot as plt
import numpy as np
import MSI.simulations.instruments.ignition_delay as ig
#test_p = pr.Processor('C:\\Users\\HP USER\\Google Drive\\Burke #Group\\Codes\\Mechanisms\\heptane_lowT\\Mech.cti')
test_p = pr.Processor(
'C:\\Users\\HP USER\\Desktop\\MSI\\data\\rodger_plotting_error_testing\\Glarborg_HNO_updated.cti'
)
s = ig.ignition_delay_wrapper(
pressures=[1.422800621],
temperatures=[
1970.89, 1982.38, 2060.95, 2078.74, 2162.57, 2224.36, 2262.05, 2327.96,
2353.06, 2391.77
],
observables=['OH'],
kineticSens=0,
physicalSens=0,
conditions=[{
'NH3': 0.007273181,
'O2': 0.002727294,
'Ar': 0.987550463
}],
import sys, os
sys.path.append(
'../../'
) #get rid of this at some point with central test script or when package is built
os.chdir('../../')
import MSI.simulations.instruments.RCM as rcm
import MSI.cti_core.cti_processor as pr
import cantera as ct
import matplotlib.pyplot as plt
test_p = pr.Processor('MSI/data/RCM/mech.cti')
#test_p = pr.Processor('MSI/data/chebyshev_data/FFCM1_custom_cheb.cti')
#test_p = pr.Processor('MSI/data/chebyshev_data/FFCM1_custom_cheb_test.cti')
test_tube = rcm.RCM(pressure=1.4939057488280285,
temperature=323,
observables=['H2O'],
kineticSens=0,
physicalSens=0,
conditions={
'C3H8': 0.024950099800399205,
'CH3OCH3': 0.024950099800399205,
'N2': 0.7504990019960079,
'O2': 0.1996007984031936
},
initialTime=0,
finalTime=.1,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant volume',
processor=test_p,
'../../'
) #get rid of this at some point with central test script or when package is built
os.chdir('../../')
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.optimization.matrix_loader as ml
import MSI.optimization.opt_runner as opt
import MSI.simulations.absorbance.curve_superimpose as csp
import MSI.simulations.yaml_parser as yp
import cantera as ct
import pandas as pd
import MSI.simulations.instruments.ignition_delay as ig
#
#test_p = pr.Processor('C:\\Users\\Skoron\\Google Drive\\Burke Group\\Codes\\Mechanisms\\FFCM-1\\FFCM1.cti')
test_p = pr.Processor('C:\\Users\\Skoron\\Desktop\\MSI\\data\\chem.cti')
yaml_file_list = [(
'C:\\Users\\Skoron\\Desktop\\MSI\\data\\ignition_delay_template_h2o2_3temp_Ttarget.yaml',
)]
yaml_instance = yp.Parser()
list_of_yaml_objects = yaml_instance.load_yaml_list(yaml_list=yaml_file_list)
list_of_experiment_dicts = yaml_instance.parsing_multiple_dictonaries(
list_of_yaml_objects=list_of_yaml_objects)
#
optimization_instance = opt.Optimization_Utility()
test = optimization_instance.looping_over_parsed_yaml_files(
list_of_experiment_dicts,
yaml_file_list,
H = df['H']
for i in range(df.shape[0]):
Press = pressure[i]
Temp = temperature[i]
k_value = k[i]
O2_mf = O2[i]
H2_mf = H2[i]
Ar_mf = Ar[i]
H_mf = H[i]
species_list = [O2_mf, H2_mf, H_mf, Ar_mf]
species_string = ['O2', 'H2', 'H', 'Ar']
uncertainty_string = [.05, 2.3, 2.3, .05]
#test_p = pr.Processor('MSI/data/automating_HO2_masten/masten_paper.cti')
test_p = pr.Processor('MSI/data/automating_OH_O_hong/GRI30-1999.cti')
#chage this to be a handmade cti file
test_p.solution.set_multiplier(k_value, i_reaction=0)
print(test_p.solution.multiplier(0))
conditions_dict = {}
for ii, specie in enumerate(species_list):
if specie != 0.0:
conditions_dict[species_string[ii]] = specie
temp_uncertainty = []
temp_uncertainty_species = []
for ii, specie in enumerate(species_list):
if specie != 0.0:
if species_string[ii] != 'Ar':
temp_uncertainty.append(uncertainty_string[ii])
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import MSI.simulations.instruments.jsr_steadystate as jsr
import MSI.cti_core.cti_processor as pr
import cantera as ct
import matplotlib.pyplot as plt
import numpy as np
#test_p = pr.Processor('C:\\Users\\HP USER\\Google Drive\\Burke #Group\\Codes\\Mechanisms\\heptane_lowT\\Mech.cti')
data = 'C:\\Users\\HP USER\\Google Drive\\Burke Group\\JSR Experiments\\LeClercMethane\\oxygen_profile.csv'
data2 = 'C:\\Users\\HP USER\\Google Drive\\Burke Group\\JSR Experiments\\LeClercMethane\\data_08082019.csv'
test_p = pr.Processor(
'C:\\Users\\HP USER\\Google Drive\\Burke Group\\Codes\\Mechanisms\\CH4_DME\\chem_760_762_763.cti'
)
jsr1 = jsr.JSR_multiTemp_steadystate(volume=8.5e-5,
pressure=1.0520602,
temperatures=np.linspace(850, 1250, 100),
observables=['OH', 'H2O'],
kineticSens=1,
physicalSens=0,
conditions={
'CH4': 0.063,
'O2': 0.063,
'He': 0.874
},
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
absp2 = parser2.load_to_obj(
'MSI/data/klip_optimization_with_raw_data/Hong_HO2_fake_data_' +
str(value) + '_abs.yaml')
loaded_tube2 = parser2.parse_shock_tube_obj(loaded_exp=exp2,
loaded_absorption=absp2)
pressure2 = loaded_tube2['pressure']
temperature2 = loaded_tube2['temperature']
conditions2 = loaded_tube2['conditions']
print("THESE ARE THE HONG CONDITIONS")
print(pressure2)
print(temperature2)
print(conditions2)
test_p = pr.Processor(
'MSI/data/klip_optimization_with_raw_data/FFCM1_custom_extra_reaction_updated.cti'
)
#HONG YAML FILES AND CONDITIONS
test_tube = st.shockTube(pressure=pressure,
temperature=temperature,
observables=['OH', 'H2O', 'H2O2'],
kineticSens=0,
physicalSens=0,
conditions=conditions,
initialTime=0,
finalTime=0.0035,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
# 'Ar': 0.9974968858350951},
# initialTime=0,
# finalTime=.07,
# thermalBoundary='Adiabatic',
# mechanicalBoundary='constant volume',
# processor=test_p,
# save_timeHistories=1,
# save_physSensHistories=1,
# volumeTrace='MSI/data/RCM/volume_trace_file.csv')
# test_tube.run()
# #test_tube.printVars()
# time_History = test_tube.timeHistory
test_p = pr.Processor(
'/Users/carlylagrotta/Dropbox/Columbia/MSI/data/branching_reaction_study/FFCM1_custom_cheb_extra_zeros_new_extra_reactions_precursor.cti'
)
test_tube = st.shockTube(pressure=0.6008089141308347,
temperature=1925,
observables=['OH'],
kineticSens=0,
physicalSens=0,
conditions={
'CH3OH': 0.000023898,
'Ar': 0.999976102
},
initialTime=0,
finalTime=.002,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant volume',
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import numpy as np
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import cantera as ct
test_p2 = pr.Processor('MSI/data/chebyshev_data/FFCM1_custom_cheb_test.cti')
test_tube = st.shockTube(pressure=1.909,
temperature=1398,
observables=['OH', 'H2O'],
kineticSens=1,
physicalSens=0,
conditions={
'O2': 0.00062,
'H2O': 0.001234,
'H2O2': 0.00254,
'Ar': 0.9974968858350951
},
initialTime=0,
finalTime=.0002,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant volume',
processor=test_p2,
save_timeHistories=1,
save_physSensHistories=1)
csv_paths = [
O2 = df['O2']
H2 = df['H2']
Ar = df['Ar']
for i in range(df.shape[0]):
Press = pressure[i]
Temp = temperature[i]
k_value = k[i]
O2_mf = O2[i]
H2_mf = H2[i]
Ar_mf = Ar[i]
species_list = [O2_mf, H2_mf, Ar_mf]
species_string = ['O2', 'H2', 'Ar']
#test_p = pr.Processor('MSI/data/automating_HO2_masten/masten_paper.cti')
test_p = pr.Processor(
'MSI/data/automating_HO2_masten/masten_paper_gri_thermo.cti')
#chage this to be a handmade cti file
test_p.solution.set_multiplier(k_value, i_reaction=1)
print(test_p.solution.multiplier(1))
conditions_dict = {}
for ii, specie in enumerate(species_list):
if specie != 0.0:
conditions_dict[species_string[ii]] = specie
print(conditions_dict)
test_tube = st.shockTube(pressure=Press,
temperature=Temp,
observables=['OH'],
kineticSens=0,
physicalSens=0,
import MSI.cti_core.cti_processor as pr
import cantera as ct
import matplotlib.pyplot as plt
import numpy as np
import time
import pandas as pd
#test_p = pr.Processor('C:\\Users\\HP USER\\Google Drive\\Burke #Group\\Codes\\Mechanisms\\heptane_lowT\\Mech.cti')
#data='C:\\Users\\HP USER\\Google Drive\\Burke Group\\JSR Experiments\\RodgerSymposium\\exp58.csv'
#data2='C:\\Users\\HP USER\\Google Drive\\Burke Group\\JSR Experiments\\LeClercMethane\\data_08082019.csv'
#_760_762_763
#outfile='C:\\Users\\HP USER\\Google Drive\\Burke Group\\JSR Experiments\\N2O_AR\\glar_comp_lam_2027.csv'
#outfile2='C:\\Users\\HP USER\\Google Drive\\Burke Group\\JSR Experiments\\N2O_AR\\glar_comp_lam_2027_ksens.csv'
test_p = pr.Processor(
'C:\\Users\\HP USER\\Google Drive\\Burke Group\\Codes\\Mechanisms\\Lamoreaux\\lam.cti'
)
jsr1 = jsr.JSR_multiTemp_steadystate(volume=8.2e-5,
pressure=1.02069,
temperatures=[1050],
observables=['N2'],
kineticSens=1,
physicalSens=0,
conditions={
'N2O': 0.045,
'Ar': 0.955
},
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
save_physSensHistories=0,
Ar = df['Ar']
wavelength = 227.5
for i in range(df.shape[0]):
Press = pressure[i]
Temp = temperature[i]
k_value = k[i]
Cl_mf = Cl[i]
CH3OH_mf = CH3OH[i]
O2_mf = O2[i]
Ar_mf = Ar[i]
species_list = [Cl_mf, CH3OH_mf, O2_mf, Ar_mf]
species_string = ['cl', 'ch3oh', 'o2', 'ar']
uncertainty_string = [2.3, 2.3, 2.3, 2.3]
#
##
test_p = pr.Processor(
'MSI/data/automating_kircher_Ar_1983/i-pentanol_one_reaction.cti')
test_p.solution.set_multiplier(k_value, i_reaction=0)
print(test_p.solution.multiplier(0))
conditions_dict = {}
temp_uncertainty = []
temp_uncertainty_species = []
for ii, specie in enumerate(species_list):
if specie != 0.0:
conditions_dict[species_string[ii]] = specie
if species_string[ii] != 'ar':
temp_uncertainty.append(uncertainty_string[ii])
temp_uncertainty_species.append(species_string[ii])
test_tube = st.shockTube(pressure=Press,
temperature=Temp,
observables=['h2o2', 'ho2'],
kineticSens=0,
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import MSI.simulations.absorbance.curve_superimpose as csp
import MSI.simulations.yaml_parser as yp
import cantera as ct
import pandas as pd
import matplotlib.pyplot as plt
test_p = pr.Processor(
'MSI/data/hong_H2O2_fake_data/Hong_new_full_temperature_dep_new_approach_high_temperature.cti'
)
test_tube = st.shockTube(pressure=1.635,
temperature=1283,
observables=['OH', 'H2O'],
kineticSens=0,
physicalSens=0,
conditions={
'H2O2': 0.003049,
'H2O': 0.001113,
'O2': 0.000556,
'Ar': 0.995212
},
initialTime=0,
finalTime=0.001,
thermalBoundary='Adiabatic',
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import numpy as np
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import cantera as ct
import pandas as pd
import matplotlib.pyplot as plt
test_p = pr.Processor('MSI/data/test_data/FFCM1_custom_updated.cti')
#test_tube = st.shockTube(pressure=1.672,
# temperature=1182,
# observables=['OH','H2O'],
# kineticSens=1,
# physicalSens=0,
# conditions={'H2O':0.001113,
# 'H2O2':0.002046,
# 'O2':0.000556,
# 'Ar':0.996285},
# initialTime=0,
# finalTime=0.003,
# thermalBoundary='Adiabatic',
# mechanicalBoundary='constant pressure',
# processor=test_p,
# save_timeHistories=1,
# save_physSensHistories=1)
#test_tube = st.shockTube(pressure=1.635,
# temperature=1283,
# observables=['OH','H2O'],
# kineticSens=1,
import sys
sys.path.append(
'.'
) #get rid of this at some point with central test script or when package is built
import MSI.simulations.instruments.jsr_steadystate as jsr
import MSI.cti_core.cti_processor as pr
import cantera as ct
import matplotlib.pyplot as plt
test_p = pr.Processor(
'C:\\Users\\HP USER\\Google Drive\\Burke Group\\Codes\\Mechanisms\\grimech3\\gri30.cti'
)
jsr = jsr.JSR_steadystate(pressure=1.0,
temperature=1283,
observables=['OH', 'H2O'],
kineticSens=1,
physicalSens=0,
conditions={
'H2O2': 0.003094,
'H2O': 0.001113,
'O2': 0.000556,
'Ar': 0.995237
},
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
save_physSensHistories=1)
jsr.set_geometry(volume=9.19523225755e-5)
a, b = jsr.run()
import sys, os
sys.path.append(
'../../'
) #get rid of this at some point with central test script or when package is built
os.chdir('../../')
import MSI.simulations.instruments.shock_tube as st
import MSI.cti_core.cti_processor as pr
import cantera as ct
test_p = pr.Processor('MSI/data/test_data/FFCM1.cti')
test_tube = st.shockTube(pressure=1.74,
temperature=1880,
observables=['OH', 'H2O'],
kineticSens=1,
physicalSens=0,
conditions={
'H2O': .013,
'O2': .0099,
'H': .0000007,
'Ar': 0.9770993
},
initialTime=0,
finalTime=0.1,
thermalBoundary='Adiabatic',
mechanicalBoundary='constant pressure',
processor=test_p,
save_timeHistories=1)
test_tube.run()
test_tube.sensitivity_adjustment(temp_del=.01)
test_tube.species_adjustment(spec_del=.01)
def establish_processor(self):
processor = pr.Processor(self.data_directory + '/' +
self.cti_file_name)
self.processor = processor
return
