Develop

Databases/Functions/set_g0.m

@@ -0,0 +1,8 @@
+function g0 = set_g0(ls, TP, DB)
+    % Function that computes the vector of gibbs free energy for the given
+    % set of species [J/mol]
+    for i=length(ls):-1:1
+        species = ls{i};
+        g0(i, 1) = species_g0(species, TP, DB) * 1e3;
+    end
+end

Examples/Example_TP_seminar.m

@@ -0,0 +1,30 @@
+% -------------------------------------------------------------------------
+% EXAMPLE: TP_seminar
+%
+% Compute equilibrium composition at defined temperature (e.g., 1500 K) and
+% pressure (e.g., 1.01325 bar) for a lean H2-Br2 mixture at
+% standard conditions, and a set of 3 species considered.
+%   
+% species == {'H2', 'Br2', 'HBr'}
+%   
+% See wiki or ListSpecies() for more predefined sets of species
+%
+% @author: Alberto Cuadra Lara
+%          PhD Candidate - Group Fluid Mechanics
+%          Universidad Carlos III de Madrid
+%                  
+% Last update Dec 10 2021
+% -------------------------------------------------------------------------
+
+%% INITIALIZE
+self = App({'H2', 'Br2', 'HBr'});
+%% INITIAL CONDITIONS
+self = set_prop(self, 'TR', 300, 'pR', 1 * 1.01325);
+self.PD.S_Fuel     = {'H2', 'Br2'};
+self.PD.N_Fuel     = [0.75, 0.25];
+%% ADDITIONAL INPUTS (DEPENDS OF THE PROBLEM SELECTED)
+self = set_prop(self, 'pP', self.PD.pR.value, 'TP', 1500); 
+%% SOLVE PROBLEM
+self = SolveProblem(self, 'TP');
+%% DISPLAY RESULTS (PLOTS)
+postResults(self);

GUI/Functions/gui_CalculateButtonPushed.m

@@ -18,7 +18,7 @@
         % Save results
         results = save_results(obj, app);
         % Update GUI with the last results of the set
-        obj = update_results_gui(obj, results);
+        obj = gui_update_results(obj, results);
         % Display results (plots)
         postResults(app);
         % Set lamp to Done color
@@ -34,27 +34,40 @@
 end
 
 % SUB-PASS FUNCTIONS
-function obj = update_results_gui(obj, app)
-    % Update GUI with the results computed
+function obj = gui_update_results(obj, results)
+    % Update:
+    %  1. GUI with the last results computed
+    %  2. GUI-UITree with all the results
+
+    % Update GUI with the last result computed
+    gui_write_results(obj, results, 1);
+    % Update UITree with all the results
+    gui_add_nodes(obj.Node_Results, results)
 end
 
 function obj = get_listSpecies_gui(obj)
     obj.LS = obj.listbox_Products.Items;
     if isempty(obj.LS)
         % Get default value
-        obj.LS = 'Soot Formation';
+        obj.LS = ListSpecies([], 'Soot Formation');
     end
 end
 function results = save_results(obj, app)
-    % Save results in the UITree
-    % 1. Save data 
-    results.mix1 = app.PS.strR;
-    results.mix2 = app.PS.strP;
-    results.ProblemType = obj.ProblemType.Value;
-    results.reaction = obj.Reaction.Value;
-    results.LS = obj.LS;
-    results.LS_products = obj.LS_products;
-    % 2. Save results in the UITree 
+    % Save results
+    N = length(app.PS.strR);
+    for i = N:-1:1
+        results(i).mix1 = app.PS.strR{i};
+        results(i).mix2 = app.PS.strP{i};
+        results(i).ProblemType = obj.ProblemType.Value;
+        results(i).Reactants = obj.Reactants.Items{sscanf(obj.Reactants.Value, '%d')};
+        results(i).Products = obj.Products.Value;
+        if isempty(results(i).Products)
+            results(i).Products = 'Default';   
+        end
+        results(i).LS = app.S.LS;
+        results(i).LS_products = obj.LS;
+        results(i).UITable_R_Data = obj.UITable_R.Data;
+    end
 end
 
 function app = get_input_constrains(obj, app)

GUI/Functions/gui_ProblemTypeValueChanged.m

@@ -125,10 +125,10 @@ function gui_ProblemTypeValueChanged(obj)
             % Set default input values
             obj.PR1.Value = '300';
             obj.PR2.Value = '1';
-            obj.PR3.Value = '0';
-            obj.PR4.Value = '0';
+            obj.PR4.Value = '2';
+            gui_compute_mach_or_velocity(obj, 'Mach');
             % Set visible item volume ratio
-            obj.text_vP_vR.Visible = 'off'; 
+            obj.text_vP_vR.Visible = 'off';
             % Set invisible shocks/detonation items
             gui_visible_shocks(obj, true);
         case 'SHOCK_R' % * SHOCK_R: CALCULATE PLANAR POST-REFLECTED SHOCK STATE
@@ -144,8 +144,8 @@ function gui_ProblemTypeValueChanged(obj)
             % Set default input values
             obj.PR1.Value = '300';
             obj.PR2.Value = '1';
-            obj.PR3.Value = '0';
-            obj.PR4.Value = '0';
+            obj.PR4.Value = '2';
+            gui_compute_mach_or_velocity(obj, 'Mach');
             % Set visible item volume ratio
             obj.text_vP_vR.Visible = 'off'; 
             % Set invisible shocks/detonation items

GUI/Functions/gui_ProductsValueChanged.m

@@ -0,0 +1,19 @@
+function gui_ProductsValueChanged(obj)
+    % Update List of species considered as Products
+    try
+        if isempty(obj.Products.Value)
+            temp_app = ListSpecies(obj);
+            obj.listbox_Products.Items = temp_app.S.LS;
+        else
+            % Update List of Products depending of the value of the equivalence ratio
+            if strcmpi(obj.Products.Value, 'Complete Reaction')
+                gui_edit_phiValueChanged(obj, []); 
+            else
+                temp_app = ListSpecies(obj, obj.Products.Value);
+                obj.listbox_Products.Items = temp_app.S.LS;
+            end
+        end
+    catch
+        obj.listbox_Products.Items = {};
+    end
+end

GUI/Functions/gui_add_nodes.m

@@ -0,0 +1,48 @@
+function gui_add_nodes(obj_parent, results)
+    % Function that generate nodes in a UITree and save data on them.
+    % 1. Generate Nodes (childrens)
+    % * Category 1: new children node: Results -> ProblemType
+    match_text = strcat('Problem Type: ', results(1).ProblemType);
+    category1 = set_node(obj_parent, match_text);
+    % * Category 2: new children node: ProblemType -> Reactants
+    match_text = strcat('Reactants: ', results(1).Reactants);
+    category2 = set_node(category1, match_text);
+    % * Category 3: new children node: Reactants -> ListProducts
+    match_text = strcat('List Products: ', results(1).Products);
+    category3 = set_node(category2, match_text);
+    % * Category 4: new children node: ListProducts -> cases
+    for i = 1:length(results)
+        match_text = sprintf('Case %d', category3.UserData); 
+        set_node(category3, match_text, 'NodeData', results(i));
+        category3.UserData = category3.UserData + 1;
+    end
+end
+
+function category_children = set_node(category_parent, match_text, varargin)
+    % Default values
+    NodeData = [];
+    % Check varargin inputs
+    for i = 1:nargin - 3
+        switch lower(varargin{i})
+            case 'nodedata'
+                NodeData = varargin{i + 1};
+        end
+    end
+    % Set node
+    j = 0;
+    if ~isempty(category_parent.Children)
+        i = 1;
+        while i <= length(category_parent.Children)
+            if strcmpi(category_parent.Children(i).Text, match_text)
+                category_children = category_parent.Children(i);
+                j = 1;
+                break;
+            end
+            i = i + 1;
+        end
+    end
+    if j == 0
+        category_children = uitreenode(category_parent, 'Text', match_text, 'NodeData', NodeData, 'UserData', 1);
+    end
+    expand(category_parent,'all');
+end

GUI/Functions/gui_compute_mach_or_velocity.m

@@ -0,0 +1,31 @@
+function gui_compute_mach_or_velocity(obj, inputname)
+    % Function that computes the pre-shock Mach number of the mixture from 
+    % a given pre-shock velocity or viceversa.
+    if any(contains(obj.ProblemType.Value, 'SHOCK', 'IgnoreCase', true))
+        if ~isempty(obj.UITable_R.Data)
+            temp_app = gui_create_temp_app(obj, [], false);
+            mix1 = temp_app.PS.strR{1};
+
+            if strcmpi(inputname, 'Mach')
+                [M1, FLAG] = gui_get_prop(obj, 'M1', obj.PR4.Value);
+                u1 = M1 * soundspeed(mix1);
+                obj.PR3.Value = compute_vector_or_scalar(u1, FLAG);
+            else
+                [u1, FLAG] = gui_get_prop(obj, 'u1', obj.PR3.Value);
+                M1 = u1 / soundspeed(mix1);
+                obj.PR4.Value = compute_vector_or_scalar(M1, FLAG);
+            end
+        else
+            obj.PR3.Value = '-';
+        end
+    end
+end
+
+% SUB-PASS FUNCTIONS
+function value_char = compute_vector_or_scalar(value, FLAG)
+    if FLAG
+        value_char = sprintf('[%.2f:%.2f:%.2f]', value(1), value(2) - value(1), value(end));
+    else
+        value_char = sprintf('%.2f', value);
+    end
+end

GUI/Functions/gui_compute_propReactants.m

@@ -11,18 +11,4 @@
     app = get_FLAG_N(app);
     % Compute stoichiometric matrix and properties of the mixture
     app = Define_FOI(app, 1);
-    if ~isempty(app.PD.S_Fuel) && ~isempty(app.PD.S_Oxidizer)
-        % Compute percentage Fuel, Oxidizer/Fuel ratio and equivalence ratio
-        R = app.PD.R_Fuel + app.PD.R_Oxidizer + app.PD.R_Inert;
-        app.PS.strR{1}.percentage_Fuel = sum(app.PD.R_Fuel(:, 1)) / sum(R(:, 1)) * 100;
-        app.PS.strR{1}.FO = sum(app.PD.R_Fuel(:, 1)) / sum(app.PD.R_Oxidizer(:, 1));
-        app.PS.strR{1}.FO_st = sum(app.PD.R_Fuel(:, 1)) / (app.PS.strR_Fuel.x + app.PS.strR_Fuel.y/4 - app.PS.strR_Fuel.z/2);
-        app.PS.strR{1}.OF = 1/app.PS.strR{1}.FO;
-        app.PS.strR{1}.phi = app.PS.strR{1}.FO / app.PS.strR{1}.FO_st;
-    else
-        app.PS.strR{1}.percentage_Fuel = 0;
-        app.PS.strR{1}.FO = inf;
-        app.PS.strR{1}.OF = 0;
-        app.PS.strR{1}.phi = '-';
-    end
 end

GUI/Functions/gui_create_temp_app.m

@@ -0,0 +1,10 @@
+function app = gui_create_temp_app(obj, event, FLAG_COMPUTE_FROM_PHI)
+    % Function that creates an app required for preliminary calculations
+
+    % Initialize app (fast: transfer DB)
+    app = App('fast', obj.DB_master, obj.DB);
+    % Get reactant species
+    app = gui_get_reactants(obj, event, app, FLAG_COMPUTE_FROM_PHI);
+    % Compute properties of the mixture
+    app = gui_compute_propReactants(obj, app);
+end

GUI/Functions/gui_edit_phiValueChanged.m

@@ -1,28 +1,45 @@
-function gui_edit_phiValueChanged(obj, event)
+function [obj, temp_app] = gui_edit_phiValueChanged(obj, event)
     % Update moles and mole fractions of the reactant UITables for the
     % given equivalence ratio
     try
         % If UITable_R is empty the equivalence can not change
         if isempty(obj.UITable_R.Data) 
             return
         end
-        % Initialize app (fast: transfer DB)
-        app = App('fast', obj.DB_master, obj.DB);
         % Set FLAG compute moles from equivalence ratio
         FLAG_COMPUTE_FROM_PHI = true;
-        % Get reactant species
-        app = gui_get_reactants(obj, event, app, FLAG_COMPUTE_FROM_PHI);
-        % Compute properties of the mixture
-        app = gui_compute_propReactants(obj, app);
+        % Create temporaly app required for preliminary calculations
+        temp_app = gui_create_temp_app(obj, event, FLAG_COMPUTE_FROM_PHI);
         % Update UITable classes
-        gui_update_UITable_R(obj, app);
+        gui_update_UITable_R(obj, temp_app);
         obj.UITable_P.Data = obj.UITable_R.Data(:, 1);    % (species, numer of moles, mole fractions, temperature)
         obj.UITable_R2.Data = obj.UITable_R.Data(:, 1:3); % (species, numer of moles, mole fractions)
         % Update GUI: equivalence ratio, O/F and percentage Fuel
-        gui_update_phi(obj, app);
+        obj.edit_phi2.Value = obj.edit_phi.Value;
+        obj.edit_OF.Value = 1/temp_app.PS.strR{1}.FO;
+        obj.edit_F.Value = temp_app.PS.strR{1}.percentage_Fuel;
+        % Check List of products (only in case of ListProducts == Complete reaction)
+        temp_app = check_ListProducts(obj, temp_app);
     catch ME
         message = {sprintf('Error in function %s() at line %d.\n\nError Message:\n%s', ...
         ME.stack(1).name, ME.stack(1).line, ME.message)};
         uialert(obj.UIFigure, message, 'Warning', 'Icon', 'warning');
     end
+end
+
+function app = check_ListProducts(obj, app)
+    if strcmpi(obj.Products.Value, 'Complete Reaction')
+        if isempty(obj.UITable_R.Data)
+            % Set lamp to Error color
+            obj.Lamp.Color = obj.color_lamp_warning;
+            % Print error
+            message = {'First, define initial mixture'};
+            uialert(obj.UIFigure, message, 'Warning', 'Icon', 'warning');
+        end
+        % Update List of Products depending of the value of the equivalence ratio
+        phi = app.PS.strR{1}.phi;
+        phi_c = app.PS.strR{1}.phi_c;
+        app = ListSpecies(obj, obj.Products.Value, phi, phi_c);
+        obj.listbox_Products.Items = app.S.LS;
+    end
 end

GUI/Functions/gui_get_prop.m

@@ -7,8 +7,8 @@
     else
         flag_prop = false;
         value = sscanf(value,'%f');
-        if isempty(value); value = app.PD.(name).value; return; end
-        app.PD.(name).value = value;
+%         if isempty(value); value = app.PD.(name).value; return; end
+%         app.PD.(name).value = value;
     end
 
     extra_parameters = nargin - 3;

GUI/Functions/gui_update_from_uitree.m

@@ -0,0 +1,8 @@
+function gui_update_from_uitree(obj, selectedNodes)
+    % Update GUI with the data that correspond with the selected node from
+    % the UITree
+    if isempty(selectedNodes.Children)
+        results = selectedNodes.NodeData;
+        gui_write_results(obj, results, 1, 'FLAG_REACTANTS', true);
+    end
+end

GUI/Functions/gui_update_frozen.m

@@ -8,6 +8,6 @@ function gui_update_frozen(obj)
             obj.listbox_Products.Items = {};
         end
     else
-        gui_ReactionValueChanged(obj)
+        gui_ProductsValueChanged(obj)
     end
 end