diff --git a/modules/ct_equil/equilibrate_T.m b/modules/ct_equil/equilibrate_T.m index aa65789c..dc3af873 100644 --- a/modules/ct_equil/equilibrate_T.m +++ b/modules/ct_equil/equilibrate_T.m @@ -48,7 +48,7 @@ % Compute property matrix of the species at chemical equilibrium % NOTE: If the ind variable is removed from the inputs, the set_species % routine will completely fill the properties matrix - M0 = set_species(self, self.S.LS, N(:, 1), TP, ind); + M0 = set_species(self, self.S.LS, N(:, 1), TP, [ind, self.S.ind_frozen]); % Compute properties of final mixture mix2 = set_properties(self, mix1, M0, pP, TP, STOP, STOP_ions); end diff --git a/modules/ct_equil/equilibrium_gibbs.m b/modules/ct_equil/equilibrium_gibbs.m index 19ed2ddc..f0155040 100644 --- a/modules/ct_equil/equilibrium_gibbs.m +++ b/modules/ct_equil/equilibrium_gibbs.m @@ -40,7 +40,7 @@ R0TP = self.C.R0 * TP; % [J/(mol)] % Initialization - NatomE = mix1.NatomE; + NatomE = mix1.NatomE_react; max_NatomE = max(NatomE); NP = 0.1; SIZE = -log(self.TN.tolN); diff --git a/modules/ct_equil/equilibrium_gibbs_eos.m b/modules/ct_equil/equilibrium_gibbs_eos.m index edc259ed..b8aa2dca 100644 --- a/modules/ct_equil/equilibrium_gibbs_eos.m +++ b/modules/ct_equil/equilibrium_gibbs_eos.m @@ -41,7 +41,7 @@ A0 = C.A0.value; R0TP = C.R0 * TP; % [J/mol] % Initialization - NatomE = mix1.NatomE_react'; + NatomE = mix1.NatomE_react; max_NatomE = max(NatomE); NP = 0.1; SIZE = -log(TN.tolN); diff --git a/modules/ct_equil/equilibrium_gibbs_large.m b/modules/ct_equil/equilibrium_gibbs_large.m index 6bafebb5..63fb37a3 100644 --- a/modules/ct_equil/equilibrium_gibbs_large.m +++ b/modules/ct_equil/equilibrium_gibbs_large.m @@ -38,7 +38,7 @@ R0TP = self.C.R0 * TP; % [J/mol] % Initialization - NatomE = mix1.NatomE_react'; + NatomE = mix1.NatomE_react; max_NatomE = max(NatomE); NP = 0.1; SIZE = -log(self.TN.tolN); diff --git a/modules/ct_equil/equilibrium_helmholtz.m b/modules/ct_equil/equilibrium_helmholtz.m index 641c0acd..da548343 100644 --- a/modules/ct_equil/equilibrium_helmholtz.m +++ b/modules/ct_equil/equilibrium_helmholtz.m @@ -41,7 +41,7 @@ R0TP = self.C.R0 * TP; % [J/(mol)] % Initialization - NatomE = mix1.NatomE; + NatomE = mix1.NatomE_react; max_NatomE = max(NatomE); NP = 0.1; SIZE = -log(self.TN.tolN); diff --git a/modules/ct_equil/equilibrium_helmholtz_eos.m b/modules/ct_equil/equilibrium_helmholtz_eos.m index 7220bd62..27e243fd 100644 --- a/modules/ct_equil/equilibrium_helmholtz_eos.m +++ b/modules/ct_equil/equilibrium_helmholtz_eos.m @@ -41,7 +41,7 @@ A0 = C.A0.value; R0TP = C.R0 * TP; % [J/mol] % Initialization - NatomE = mix1.NatomE_react'; + NatomE = mix1.NatomE_react; max_NatomE = max(NatomE); NP = 0.1; SIZE = -log(TN.tolN); diff --git a/modules/ct_equil/equilibrium_helmholtz_large.m b/modules/ct_equil/equilibrium_helmholtz_large.m index b3170621..af833430 100644 --- a/modules/ct_equil/equilibrium_helmholtz_large.m +++ b/modules/ct_equil/equilibrium_helmholtz_large.m @@ -38,7 +38,7 @@ R0TP = self.C.R0 * TP; % [J/mol] % Initialization - NatomE = mix1.NatomE_react'; + NatomE = mix1.NatomE_react; max_NatomE = max(NatomE); NP = 0.1; SIZE = -log(self.TN.tolN); diff --git a/utils/compute_properties.m b/utils/compute_properties.m index 023fdf00..c475fe02 100644 --- a/utils/compute_properties.m +++ b/utils/compute_properties.m @@ -17,8 +17,8 @@ % Definitions R0 = self.C.R0; % [J/(K mol)] Universal gas constant % Initialization - mix.error_moles = []; - mix.error_moles_ions = []; + mix.error_moles = 0; + mix.error_moles_ions = 0; % Inputs mix.p = p; % [bar] mix.T = T; % [K]