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Validations #109

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Dec 2, 2021
Merged

Validations #109

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a4e1d45
Update: include temp of products
AlbertoCuadra Dec 2, 2021
4614126
Update: display results of displaySpecies
AlbertoCuadra Dec 2, 2021
7895b51
Update: rename
AlbertoCuadra Dec 2, 2021
c21a0cf
Update: include ListSpecies and DisplaySpecies
AlbertoCuadra Dec 2, 2021
1fe1732
Add: more validations with CEA
AlbertoCuadra Dec 2, 2021
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21 changes: 10 additions & 11 deletions Validations/CEA/run_validation_DET_1.m
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Expand Up @@ -3,23 +3,22 @@
% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Chapman-Jouget Detonation
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: C2H2_acetylene + AIR_IDEAL (79% N2 + 21% O2)
% List of species considered:
% {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
% 'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
% 'NO','HCO','NH2','NH','N','CH','Cbgrb'}
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
filename = {'C2H2_air1_detonations.out', 'C2H2_air1_detonations2.out', 'C2H2_air1_detonations3.out'};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ProblemType', 'DET', 'S_Fuel', 'C2H2_acetylene', 'EquivalenceRatio', 0.5:0.01:4);
results_CT = run_CT('ProblemType', 'DET', 'Species', LS,...
'S_Fuel', 'C2H2_acetylene', 'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
18 changes: 8 additions & 10 deletions Validations/CEA/run_validation_DET_2.m
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% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Chapman-Jouget Detonation
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: C2H2_acetylene + O2
% List of species considered:
% {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
% 'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
% 'NO','HCO','NH2','NH','N','CH','Cbgrb'}
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'C2H2_acetylene';
prefixDataName = 'C2H2';
filename = {strcat(prefixDataName, '_O2_detonations.out'), strcat(prefixDataName, '_O2_detonations2.out'), strcat(prefixDataName, '_O2_detonations3.out')};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ProblemType', 'DET', 'ListSpecies', LS,...
'S_Fuel', Fuel, 'S_Oxidizer', 'O2', 'S_Inert', [],...
'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
21 changes: 10 additions & 11 deletions Validations/CEA/run_validation_DET_3.m
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Expand Up @@ -3,23 +3,22 @@
% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Chapman-Jouget Detonation
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: CH4 + AIR_IDEAL (79% N2 + 21% O2)
% List of species considered:
% {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
% 'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
% 'NO','HCO','NH2','NH','N','CH','Cbgrb'}
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
filename = {'CH4_air1_detonations.out', 'CH4_air1_detonations2.out', 'CH4_air1_detonations3.out'};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ProblemType', 'DET', 'S_Fuel', 'CH4', 'EquivalenceRatio', 0.5:0.01:4);
results_CT = run_CT('ProblemType', 'DET', 'Species', LS,...
'S_Fuel', 'CH4', 'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
18 changes: 8 additions & 10 deletions Validations/CEA/run_validation_DET_4.m
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Expand Up @@ -3,27 +3,25 @@
% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Chapman-Jouget Detonation
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: CH4 + O2
% List of species considered:
% {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
% 'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
% 'NO','HCO','NH2','NH','N','CH','Cbgrb'}
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'CH4';
prefixDataName = Fuel;
filename = {strcat(prefixDataName, '_O2_detonations.out'), strcat(prefixDataName, '_O2_detonations2.out'), strcat(prefixDataName, '_O2_detonations3.out')};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ProblemType', 'DET', 'ListSpecies', LS,...
'S_Fuel', Fuel, 'S_Oxidizer', 'O2', 'S_Inert', [],...
'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
18 changes: 8 additions & 10 deletions Validations/CEA/run_validation_HP_1.m
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% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Adiabatic T and composition at constant p
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: C2H2_acetylene + AIR_IDEAL (79% N2 + 21% O2)
% List of species considered:
% {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
% 'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
% 'NO','HCO','NH2','NH','N','CH','Cbgrb'}
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'C2H2_acetylene';
prefixDataName = 'C2H2';
filename = {strcat(prefixDataName, '_air1_HP.out'), strcat(prefixDataName, '_air1_HP2.out'), strcat(prefixDataName, '_air1_HP3.out')};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ListSpecies', LS, 'S_Fuel', Fuel,...
'S_Oxidizer', 'O2', 'S_Inert', 'N2',...
'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
18 changes: 8 additions & 10 deletions Validations/CEA/run_validation_HP_2.m
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% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Adiabatic T and composition at constant p
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: C2H2_acetylene + O2
% List of species considered:
% {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
% 'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
% 'NO','HCO','NH2','NH','N','CH','Cbgrb'}
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'C2H2_acetylene';
prefixDataName = 'C2H2';
filename = {strcat(prefixDataName, '_O2_HP.out'), strcat(prefixDataName, '_O2_HP2.out'), strcat(prefixDataName, '_O2_HP3.out')};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ListSpecies', LS, 'S_Fuel', Fuel,...
'S_Oxidizer', 'O2', 'S_Inert', [],...
'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
18 changes: 8 additions & 10 deletions Validations/CEA/run_validation_HP_3.m
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Expand Up @@ -3,27 +3,25 @@
% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Adiabatic T and composition at constant p
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: C2H2_acetylene + AIR_IDEAL (79% N2 + 21% O2)
% List of species considered:
% {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
% 'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
% 'NO','HCO','NH2','NH','N','CH','Cbgrb'}
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'CH4';
prefixDataName = Fuel;
filename = {strcat(prefixDataName, '_air1_HP.out'), strcat(prefixDataName, '_air1_HP2.out'), strcat(prefixDataName, '_air1_HP3.out')};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ListSpecies', LS, 'S_Fuel', Fuel,...
'S_Oxidizer', 'O2', 'S_Inert', 'N2',...
'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
13 changes: 7 additions & 6 deletions Validations/CEA/run_validation_HP_4.m
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% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Adiabatic T and composition at constant p
% Temperature [K] = 300;
% Pressure [bar] = 1.01325;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: CH4 + O2
% List of species considered:
Expand All @@ -15,15 +15,16 @@
Fuel = 'CH4';
prefixDataName = Fuel;
filename = {strcat(prefixDataName, '_O2_HP.out'), strcat(prefixDataName, '_O2_HP2.out'), strcat(prefixDataName, '_O2_HP3.out')};
LS = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ListSpecies', LS, 'S_Fuel', Fuel,...
'S_Oxidizer', 'O2', 'S_Inert', [],...
'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, LS);
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi');
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
27 changes: 27 additions & 0 deletions Validations/CEA/run_validation_TP_1.m
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function run_validation_TP_1
% Run test validation_TP_1:
% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Equilibrium composition at defined T and p
% Temperature [K] = 2500;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: C6H6 + AIR_IDEAL (79% N2 + 21% O2)
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'C6H6';
prefixDataName = Fuel;
filename = {strcat(prefixDataName, '_air1_TP.out'), strcat(prefixDataName, '_air1_TP2.out'), strcat(prefixDataName, '_air1_TP3.out')};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ProblemType', 'TP', 'Temp', 2500, 'Species', LS,...
'S_Fuel', Fuel,'S_Oxidizer', 'O2',...
'S_Inert', 'N2', 'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
27 changes: 27 additions & 0 deletions Validations/CEA/run_validation_TP_2.m
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function run_validation_TP_2
% Run test validation_TP_2:
% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Equilibrium composition at defined T and p
% Temperature [K] = 2500;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: C6H6 + O2
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'C6H6';
prefixDataName = Fuel;
filename = {strcat(prefixDataName, '_O2_TP.out'), strcat(prefixDataName, '_O2_TP2.out'), strcat(prefixDataName, '_O2_TP3.out')};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ProblemType', 'TP', 'Temp', 2500, 'Species', LS,...
'S_Fuel', Fuel,'S_Oxidizer', 'O2',...
'S_Inert', [], 'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
27 changes: 27 additions & 0 deletions Validations/CEA/run_validation_TP_3.m
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function run_validation_TP_3
% Run test validation_TP_3:
% Contrasted with: NASA's Chemical Equilibrium with Applications software
% Problem type: Equilibrium composition at defined T and p
% Temperature [K] = 2500;
% Pressure [bar] = 1;
% Equivalence ratio [-] = 0.5:0.01:4
% Initial mixture: CH3OH + O2
% List of species considered: ListSpecies('Soot Formation Extended')

% Inputs
Fuel = 'CH3OH';
prefixDataName = Fuel;
filename = {strcat(prefixDataName, '_O2_TP.out'), strcat(prefixDataName, '_O2_TP2.out'), strcat(prefixDataName, '_O2_TP3.out')};
LS = 'Soot Formation Extended';
DisplaySpecies = {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
'NO','HCO','NH2','NH','N','CH','Cbgrb'};
% Combustion Toolbox
results_CT = run_CT('ProblemType', 'TP', 'Temp', 2500, 'Species', LS,...
'S_Fuel', Fuel,'S_Oxidizer', 'O2',...
'S_Inert', [], 'EquivalenceRatio', 0.5:0.01:4);
% Load results CEA
results_CEA = data_CEA(filename, DisplaySpecies);
% Display validation (plot)
plot_molar_fractions_validation(results_CT, results_CEA, 'phi', 'Xi', DisplaySpecies);
end
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