Merge pull request #947 from AlbertoCuadra/develop

Update: comments and typos

examples/Example_DET.m

@@ -3,12 +3,12 @@
 %
 % Compute pre-shock and post-shock state for a planar detonation
 % considering Chapman-Jouguet (CJ) theory for lean to rich CH4-air mixtures
-% at standard conditions, a set of 26 species considered and a set of
+% at standard conditions, a set of 24 species considered and a set of
 % equivalence ratios (phi) contained in (0.5, 5) [-]
 %   
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_DET_OBLIQUE_BETA.m

@@ -3,11 +3,11 @@
 %
 % Compute pre-shock and post-shock state for a oblique detonation
 % considering Chapman-Jouguet (CJ) theory for a stoichiometric CH4-air
-% mixture at standard conditions, a set of 26 species considered, an 
+% mixture at standard conditions, a set of 24 species considered, an 
 % overdrive of 4 and a set of wave angles [15:5:80] [deg].
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_DET_OBLIQUE_THETA.m

@@ -6,9 +6,9 @@
 % mixture at standard conditions, a set of 24 species considered, an 
 % overdrive of 4 and a set of deflection angles [15:5:50] [deg].
 %   
-% Soot formation == {'CO2', 'CO', 'H2O', 'H2', 'O2', 'N2', 'He', 'Ar',...
-%                    'HCN','H','OH','O','CN','NH3','CH4','C2H4','CH3',...
-%                    'NO','HCO','NH2','NH','N','CH','Cbgrb'}
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
+%                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species
 %

examples/Example_DET_OVERDRIVEN.m

@@ -6,8 +6,8 @@
 % mixture at standard conditions, a set of 26 species considered and a set
 % of overdrives contained in (1,10) [-].
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_DET_OVERDRIVEN_AND_UNDERDRIVEN.m

@@ -3,11 +3,11 @@
 %
 % Compute pre-shock and post-shock state for a planar underdriven to 
 % overdriven detonation considering Chapman-Jouguet (CJ) theory for a
-% stoichiometric CH4-air mixture at standard conditions, a set of 26
+% stoichiometric CH4-air mixture at standard conditions, a set of 24
 % species considered and a set of overdrives contained in (1,10) [-].
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_DET_OVERDRIVEN_R.m

@@ -3,11 +3,11 @@
 %
 % Compute pre-shock and post-shock state for a reflected planar overdriven
 % detonation considering Chapman-Jouguet (CJ) theory for a stoichiometric 
-% CH4-air mixture at standard conditions, a set of 26 species considered
+% CH4-air mixture at standard conditions, a set of 24 species considered
 % and a set of overdrives contained in (1,10) [-].
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_DET_R.m

@@ -3,12 +3,12 @@
 %
 % Compute pre-shock and post-shock state for a reflected planar detonation
 % considering Chapman-Jouguet (CJ) theory for lean to rich CH4-air mixtures
-% at standard conditions, a set of 26 species considered and a set of
+% at standard conditions, a set of 24 species considered and a set of
 % equivalence ratios (phi) contained in (0.5, 5) [-]
 %   
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_DET_UNDERDRIVEN.m

@@ -3,11 +3,11 @@
 %
 % Compute pre-shock and post-shock state for a planar under-driven detonation
 % considering Chapman-Jouguet (CJ) theory for a stoichiometric CH4-air
-% mixture at standard conditions, a set of 26 species considered and a set
+% mixture at standard conditions, a set of 24 species considered and a set
 % of underdrives contained in (1,10) [-].
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_DET_UNDERDRIVEN_R.m

@@ -3,11 +3,11 @@
 %
 % Compute pre-shock and post-shock state for a reflected planar underdriven
 % detonation considering Chapman-Jouguet (CJ) theory for a stoichiometric 
-% CH4-air mixture at standard conditions, a set of 26 species considered
+% CH4-air mixture at standard conditions, a set of 24 species considered
 % and a set of overdrives contained in (1,10) [-].
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_EV.m

@@ -3,11 +3,11 @@
 %
 % Compute equilibrium composition at adiabatic temperature and constant
 % volume for lean to rich CH4-air mixtures at standard conditions, a set
-% of 26 species considered and a set of equivalence ratios (phi) contained
+% of 24 species considered and a set of equivalence ratios (phi) contained
 % in (0.5, 5) [-]
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_HP.m

@@ -3,11 +3,11 @@
 %
 % Compute adiabatic temperature and equilibrium composition at constant
 % pressure (e.g., 1.01325 bar) for lean to rich CH4-air mixtures at
-% standard conditions, a set of 26 species considered and a set of
+% standard conditions, a set of 24 species considered and a set of
 % equivalence ratios phi contained in (0.5, 5) [-]
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_HP_COMPLETE_INCOMPLETE.m

@@ -12,8 +12,8 @@
 %       - soot = {'N2', 'Ar', 'CO', 'H2', 'Cbgrb', 'CO2', 'H2O'}; (equivalence ratio > equivalence ratio soot)   
 %
 % * Incomplete:
-%       - Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                            'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+%       - Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                            'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                            'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_HP_MIXTEMP.m

@@ -4,11 +4,11 @@
 % Compute adiabatic temperature and equilibrium composition at constant
 % pressure (e.g., 1.01325 bar) for lean to rich CH4-air mixtures at
 % standard conditions except for the air which is at 380 K. Also, a set
-% of 26 species considered and a set of equivalence ratios phi contained
+% of 24 species considered and a set of equivalence ratios phi contained
 % in (0.5, 5) [-]
 %   
-% Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                    'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_HP_PRESSURE.m

@@ -18,8 +18,8 @@
 %       - soot = {'N2', 'Ar', 'CO', 'H2', 'Cbgrb', 'CO2', 'H2O'}; (equivalence ratio > equivalence ratio soot)   
 %
 % * Incomplete:
-%       - Soot formation == {'CO2','CO','H2O','H2','O2','N2','He','Ar','Cbgrb',...
-%                            'C2','C2H4','CH','CH','CH3','CH4','CN','H',...
+%       - Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                            'C2','C2H4','CH','CH3','CH4','CN','H',...
 %                            'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species

examples/Example_ROCKET_IAC.m

@@ -2,7 +2,7 @@
 % EXAMPLE: ROCKET Propellants considering an Infinite-Area-Chamber (IAC)
 %
 % Compute rocket propellant performance considering an Infinite-Area-Chamber
-% for lean to rich LH2-LOX mixtures at 101.325 bar, a set of 24 species
+% for lean to rich LH2-LOX mixtures at 101.325 bar, a set of 11 species
 % considered, a set of equivalence ratios phi contained in (2, 5) [-], and
 % an exit area ratio A_exit/A_throat = 3 
 %   

examples/Example_ROCKET_IAC_2.m

@@ -2,30 +2,31 @@
 % EXAMPLE: ROCKET Propellants considering an Infinite-Area-Chamber (IAC)
 %
 % Compute rocket propellant performance considering an Infinite-Area-Chamber
-% for lean to rich MON25-MHF3 mixtures at 101.325 bar, a set of 24 species
+% for lean to rich MHF3-MON25 mixtures at 101.325 bar, a set of 24 species
 % considered, a set of equivalence ratios phi contained in (2, 5) [-], and
 % an exit area ratio A_exit/A_throat = 3 
 %   
-% HYDROGEN_L == {'H','H2O','OH','H2','O','O3','O2','HO2','H2O2',...
-%                'H2bLb','O2bLb'}
+% Soot formation == {'CO2','CO','H2O','H2','O2','N2','Ar','Cbgrb',...
+%                    'C2','C2H4','CH','CH3','CH4','CN','H',...
+%                    'HCN','HCO','N','NH','NH2','NH3','NO','O','OH'}
 %   
 % See wiki or list_species() for more predefined sets of species
 %
 % @author: Alberto Cuadra Lara
 %          PhD Candidate - Group Fluid Mechanics
 %          Universidad Carlos III de Madrid
 %                 
-% Last update Jul 30 2022
+% Last update Feb 08 2024
 % -------------------------------------------------------------------------
 
 %% INITIALIZE
 self = App('Soot Formation');
 %% INITIAL CONDITIONS
 self = set_prop(self, 'TR', 298.15, 'pR', 100 * 1.01325, 'phi', 2);
-self.PD.S_Fuel     = {'N2O4bLb', 'N2O3'};
-self.PD.N_Fuel     = convert_weight_percentage_to_moles(self.PD.S_Fuel, [36.67, 63.33], self.DB);
-self.PD.S_Oxidizer = {'CH6N2bLb', 'N2H4bLb'};
-self.PD.wt_ratio_oxidizers = [86, 14];
+self.PD.S_Fuel     = {'CH6N2bLb', 'N2H4bLb'};
+self.PD.N_Fuel     = convert_weight_percentage_to_moles(self.PD.S_Fuel, [86, 14], self.DB);
+self.PD.S_Oxidizer = {'N2O4bLb', 'N2O3'};
+self.PD.wt_ratio_oxidizers = [36.67, 63.33];
 self.PD.FLAG_IAC = true;
 %% ADDITIONAL INPUTS (DEPENDS OF THE PROBLEM SELECTED)
 self = set_prop(self, 'Aratio', 3);

examples/Example_SHOCK_I.m

@@ -2,11 +2,11 @@
 % EXAMPLE: SHOCK_I
 %
 % Compute pre-shock and post-shock state for a planar incident shock wave
-% at standard conditions, a set of 20 species considered and a set of
+% at standard conditions, a set of 16 species considered and a set of
 % initial shock front velocities (u1) contained in (sound velocity, 20000) [m/s]
 %    
 % Air == {'O2','N2','O','O3','N','NO','NO2','NO3','N2O','N2O3','N2O4',...
-%         'N3','C','CO','CO2','Ar','H2O','H2','H','He'}
+%         'N3','C','CO','CO2','Ar'}
 %   
 % See wiki or list_species() for more predefined sets of species
 %

examples/Example_SHOCK_I_IONIZATION.m

@@ -2,15 +2,18 @@
 % EXAMPLE: SHOCK_I_IONIZATION
 %
 % Compute pre-shock and post-shock state for a planar incident shock wave
-% at standard conditions, a set of 39 species considered and a set of
+% at standard conditions, a set of 51 species considered and a set of
 % initial shock front velocities (u1) contained in (360, 13000) [m/s]
 %    
-% Air_ions == {'O2','N2','O','O3','N','NO','NO2','NO3','N2O','N2O3',...
-%              'N2O4','N3','eminus','Nminus','Nplus','NOplus','NO2minus',...
-%              'NO3minus','N2plus','N2minus','N2Oplus','Oplus','Ominus',...
-%              'O2plus', 'O2minus','CO2','CO','COplus','C','Cplus',...
-%              'Cminus','CN','CNplus','CNminus','CNN','NCO','NCN','Ar',...
-%              'Arplus'}
+% Air_ions == {'eminus', 'Ar', 'Arplus', 'C', 'Cplus', 'Cminus', ...
+%              'CN', 'CNplus', 'CNminus', 'CNN', 'CO', 'COplus', ...
+%              'CO2', 'CO2plus', 'C2', 'C2plus', 'C2minus', 'CCN', ...
+%              'CNC', 'OCCN', 'C2N2', 'C2O', 'C3', 'C3O2', 'N', ...
+%              'Nplus', 'Nminus', 'NCO', 'NO', 'NOplus', 'NO2', ...
+%              'NO2minus', 'NO3', 'NO3minus', 'N2', 'N2plus', ...
+%              'N2minus', 'NCN', 'N2O', 'N2Oplus', 'N2O3', 'N2O4', ...
+%              'N2O5', 'N3', 'O', 'Oplus', 'Ominus', 'O2', 'O2plus', ...
+%              'O2minus', 'O3'}
 %   
 % See wiki or list_species() for more predefined sets of species
 %
@@ -21,30 +24,8 @@
 % Last update July 22 2022
 % -------------------------------------------------------------------------
 
-% Air_ions = {'O2','N2','O','O3','N','NO','NO2','NO3','N2O','N2O3',...
-%              'N2O4','N3_M','eminus','Nminus','Nplus','NOplus','NO2minus_M',...
-%              'NO3minus_M','N2plus','N2minus','N2Oplus','Oplus','Ominus',...
-%              'O2plus', 'O2minus','CO2','CO','COplus','C','Cplus',...
-%              'Cminus','CN_M','CNplus_M','CNminus_M','CNN_M','NCO','NCN_M','Ar',...
-%              'Arplus','O2_M','O3_M','CO2_M','O3minus_M','O3plus_M',...
-%              'N3minus_M','N3plus_M','NO3plus_M','CNminus_M','CNplus_M',...
-%              'NCOminus_M','NCOplus_M','NCNminus_M','NCNplus_M','O4_M',...
-%              'O4minus_M','O4plus_M'};
-
-Air_ions = {'O2','N2','O','O3','N','NO','NO2','NO3','N2O','N2O3',...
-             'N2O4','N3','eminus','Nminus','Nplus','NOplus','NO2minus',... 
-             'NO3minus','N2plus','N2minus','N2Oplus','Oplus','Ominus',...
-             'O2plus', 'O2minus','CO2','CO','COplus','C','Cplus',...
-             'Cminus','CN','CNplus','CNminus','CNN','NCO','NCN','Ar',...
-             'Arplus'};
-
-% Air_ions = find_species_LS(LS, {'C','N','O','minus','plus','Ar'}, 'any',...
-% {'I', 'S', 'L', 'T', 'P', 'F', 'ab', 'W', 'Z','X','R','Os','Cr','H','Br',...
-% 'G','K','U','Co','Cu','B','V','Ni','Na','Mg','Mo','Ag','Nb','Cb','Cl','D','T',...
-% 'Ca','Cs','Ne','Cd','Mn'}, 'all');
-
 %% INITIALIZE
-self = App(Air_ions);
+self = App('Air_ions');
 %% INITIAL CONDITIONS
 self = set_prop(self, 'TR', 300, 'pR', 1 * 1.01325);
 self.PD.S_Oxidizer = {'N2', 'O2', 'Ar', 'CO2'};

examples/Example_SHOCK_OBLIQUE_BETA.m

@@ -2,16 +2,19 @@
 % EXAMPLE: SHOCK_OBLIQUE_BETA
 %
 % Compute pre-shock and post-shock state for a oblique incident shock wave
-% at standard conditions, a set of 20 species considered, a initial 
+% at standard conditions, a set of 51 species considered, a initial 
 % shock front velocities u1 = a1 * 10 [m/s], and a set of wave angles
 % beta = [20:5:85] [deg]
 %    
-% Air_ions == {'O2','N2','O','O3','N','NO','NO2','NO3','N2O','N2O3',...
-%              'N2O4','N3','eminus','Nminus','Nplus','NOplus','NO2minus',...
-%              'NO3minus','N2plus','N2minus','N2Oplus','Oplus','Ominus',...
-%              'O2plus', 'O2minus,'CO2','CO','COplus','C','Cplus',...
-%              'Cminus','CN','CNplus','CNminus','CNN','NCO','NCN','Ar',...
-%              'Arplus'}
+% Air_ions == {'eminus', 'Ar', 'Arplus', 'C', 'Cplus', 'Cminus', ...
+%              'CN', 'CNplus', 'CNminus', 'CNN', 'CO', 'COplus', ...
+%              'CO2', 'CO2plus', 'C2', 'C2plus', 'C2minus', 'CCN', ...
+%              'CNC', 'OCCN', 'C2N2', 'C2O', 'C3', 'C3O2', 'N', ...
+%              'Nplus', 'Nminus', 'NCO', 'NO', 'NOplus', 'NO2', ...
+%              'NO2minus', 'NO3', 'NO3minus', 'N2', 'N2plus', ...
+%              'N2minus', 'NCN', 'N2O', 'N2Oplus', 'N2O3', 'N2O4', ...
+%              'N2O5', 'N3', 'O', 'Oplus', 'Ominus', 'O2', 'O2plus', ...
+%              'O2minus', 'O3'}
 %   
 % See wiki or list_species() for more predefined sets of species
 %

examples/Example_SHOCK_OBLIQUE_R.m

@@ -2,16 +2,19 @@
 % EXAMPLE: SHOCK_OBLIQUE_R
 %
 % Compute pre-shock and post-shock state (incident and reflected) for a
-% oblique incident shock wave at standard conditions, a set of 20 species
+% oblique incident shock wave at standard conditions, a set of 51 species
 % considered, a initial shock front velocities u1 = a1 * 10 [m/s], and a
 % deflection angle theta = 20 [deg]
 %    
-% Air_ions == {'O2','N2','O','O3','N','NO','NO2','NO3','N2O','N2O3',...
-%              'N2O4','N3','eminus','Nminus','Nplus','NOplus','NO2minus',...
-%              'NO3minus','N2plus','N2minus','N2Oplus','Oplus','Ominus',...
-%              'O2plus', 'O2minus,'CO2','CO','COplus','C','Cplus',...
-%              'Cminus','CN','CNplus','CNminus','CNN','NCO','NCN','Ar',...
-%              'Arplus'}
+% Air_ions == {'eminus', 'Ar', 'Arplus', 'C', 'Cplus', 'Cminus', ...
+%              'CN', 'CNplus', 'CNminus', 'CNN', 'CO', 'COplus', ...
+%              'CO2', 'CO2plus', 'C2', 'C2plus', 'C2minus', 'CCN', ...
+%              'CNC', 'OCCN', 'C2N2', 'C2O', 'C3', 'C3O2', 'N', ...
+%              'Nplus', 'Nminus', 'NCO', 'NO', 'NOplus', 'NO2', ...
+%              'NO2minus', 'NO3', 'NO3minus', 'N2', 'N2plus', ...
+%              'N2minus', 'NCN', 'N2O', 'N2Oplus', 'N2O3', 'N2O4', ...
+%              'N2O5', 'N3', 'O', 'Oplus', 'Ominus', 'O2', 'O2plus', ...
+%              'O2minus', 'O3'}
 %   
 % See wiki or list_species() for more predefined sets of species
 %