Merge branch 'main' into protonicmembrane

Documentation/computationalGraph/scripts/ConcentrationModel.m

@@ -0,0 +1,36 @@
+classdef ConcentrationModel < BaseModel
+
+    methods
+
+        function model = registerVarAndPropfuncNames(model)
+
+            %% Declaration of the Dynamical Variables and Function of the model
+            % (setup of varnameList and propertyFunctionList)
+
+            model = registerVarAndPropfuncNames@BaseModel(model);
+
+            varnames = {};
+            % Concentration
+            varnames{end + 1} = 'c';
+            % Mass accumulation term
+            varnames{end + 1} = 'massAccum';
+            % Source term
+            varnames{end + 1} = 'source';
+            % Mass conservation equation
+            varnames{end + 1} = 'massCons';
+
+            model = model.registerVarNames(varnames);
+
+            fn = @ConcentrationModel.updateMassAccum;
+            inputnames = {'c'};
+            model = model.registerPropFunction({'massAccum', fn, inputnames});
+
+            fn = @ConcentrationModel.updateMassCons;
+            inputnames = {'massAccum', 'source'};
+            model = model.registerPropFunction({'massCons', fn, inputnames});
+
+        end
+
+    end
+
+end

Documentation/computationalGraph/scripts/ConcentrationReactionModel.m

@@ -0,0 +1,44 @@
+classdef ConcentrationReactionModel < BaseModel
+
+    properties
+
+        Reaction
+        Solid
+        Elyte
+
+    end
+
+    methods
+
+        function model = ConcentrationReactionModel()
+
+            model.Reaction = ReactionModel();
+            model.Solid    = ConcentrationModel();
+            model.Elyte    = ConcentrationModel();
+
+        end
+
+        function model = registerVarAndPropfuncNames(model)
+
+            %% Declaration of the Dynamical Variables and Function of the model
+
+            model = registerVarAndPropfuncNames@BaseModel(model);
+
+            fn = @ConcentrationReactionModel.updateConcentrationSource;
+            inputnames = {{'Reaction', 'R'}};
+            model = model.registerPropFunction({{'Solid', 'source'}, fn, inputnames});
+            model = model.registerPropFunction({{'Elyte', 'source'}, fn, inputnames});
+
+            fn = @ConcentrationReactionModel.updateReactionConcentrationE;
+            inputnames = {{'Elyte', 'c'}};
+            model = model.registerPropFunction({{'Reaction', 'c_e'}, fn, inputnames});
+
+            fn = @ConcentrationReactionModel.updateReactionConcentrationS;
+            inputnames = {{'Solid', 'c'}};
+            model = model.registerPropFunction({{'Reaction', 'c_s'}, fn, inputnames});
+
+        end
+
+    end
+
+end

Documentation/computationalGraph/scripts/ConcentrationReactionThermalModel.m

@@ -0,0 +1,37 @@
+classdef ConcentrationReactionThermalModel < BaseModel
+
+    properties
+
+        Masses
+        Thermal
+
+    end
+
+    methods
+
+        function model = ConcentrationReactionThermalModel()
+
+            model.Masses  = ConcentrationReactionModel();
+            model.Thermal = ThermalModel();
+
+        end
+
+        function model = registerVarAndPropfuncNames(model)
+
+            %% Declaration of the Dynamical Variables and Function of the model
+
+            model = registerVarAndPropfuncNames@BaseModel(model);
+
+            fn = @ConcentrationReactionThermalModel.updateOCP;
+            inputnames = {{'Masses', 'Reaction', 'c_s'}, {'Thermal', 'T'}};
+            model = model.registerPropFunction({{'Masses', 'Reaction', 'OCP'}, fn, inputnames});
+
+            fn = @ConcentrationReactionThermalModel.updateThermalSource;
+            inputnames = {{'Masses', 'Reaction', 'R'}};
+            model = model.registerPropFunction({{'Thermal', 'source'}, fn, inputnames});
+
+        end
+
+    end
+
+end

Documentation/computationalGraph/scripts/ReactionModel.m

@@ -0,0 +1,49 @@
+classdef ReactionModel < BaseModel
+
+    methods
+
+        function model = registerVarAndPropfuncNames(model)
+
+            model = registerVarAndPropfuncNames@BaseModel(model);
+
+            varnames = {};
+            % potential in electrode
+            varnames{end + 1} = 'phi_s';
+            % charge carrier concentration in electrode - value at surface
+            varnames{end + 1} = 'c_s';
+            % potential in electrolyte
+            varnames{end + 1} = 'phi_e';
+            % charge carrier concentration in electrolyte
+            varnames{end + 1} = 'c_e';
+            % Electrode over potential
+            varnames{end + 1} = 'eta';
+            % Reaction rate [mol s^-1 m^-2]
+            varnames{end + 1} = 'R';
+            % OCP [V]
+            varnames{end + 1} = 'OCP';
+            % Reaction rate coefficient [A m^-2]
+            varnames{end + 1} = 'j';
+
+            model = model.registerVarNames(varnames);
+
+            fn = @ReactionModel.updateReactionRateCoefficient;
+            inputnames = {'c_e', 'c_s'};
+            model = model.registerPropFunction({'j', fn, inputnames});
+
+            fn = @ReactionModel.updateOCP;
+            inputnames = {'c_s'};
+            model = model.registerPropFunction({'OCP', fn, inputnames});
+
+            fn = @ReactionModel.updateEta;
+            inputnames = {'phi_e', 'phi_s', 'OCP'};            
+            model = model.registerPropFunction({'eta', fn, inputnames});
+
+            fn = @ReactionModel.updateReactionRate;
+            inputnames = {'eta', 'j'};
+            model = model.registerPropFunction({'R', fn, inputnames});
+
+        end
+
+    end
+
+end

Documentation/computationalGraph/scripts/ReactionModel2.m

@@ -0,0 +1,23 @@
+classdef ReactionModel2 < ReactionModel
+
+    methods
+
+        function model = registerVarAndPropfuncNames(model)
+
+            model = registerVarAndPropfuncNames@ReactionModel(model);
+
+            varnames = {};
+            % potential in electrode
+            varnames{end + 1} = 'T';
+
+            model = model.registerVarNames(varnames);
+
+            fn = @ReactionModel.updateOCP;
+            inputnames = {'c_s', 'T'};
+            model = model.registerPropFunction({'OCP', fn, inputnames});
+
+        end
+
+    end
+
+end

Documentation/computationalGraph/scripts/ReactionThermalModel.m

@@ -0,0 +1,36 @@
+classdef ReactionThermalModel < BaseModel
+
+    properties
+
+        Reaction
+        Thermal
+
+    end
+
+    methods
+
+        function model = ReactionThermalModel()
+
+            model.Reaction = ReactionModel();
+            model.Thermal  = ThermalModel();
+
+        end
+        function model = registerVarAndPropfuncNames(model)
+
+            %% Declaration of the Dynamical Variables and Function of the model
+
+            model = registerVarAndPropfuncNames@BaseModel(model);
+
+            fn = @ReactionThermalModel.updateOCP;
+            inputnames = {{'Reaction', 'c_s'}, {'Thermal', 'T'}};
+            model = model.registerPropFunction({{'Reaction', 'OCP'}, fn, inputnames});
+
+            fn = @ReactionThermalModel.updateThermalSource;
+            inputnames = {{'Reaction', 'R'}};
+            model = model.registerPropFunction({{'Thermal', 'source'}, fn, inputnames});
+
+        end
+
+    end
+
+end

Documentation/computationalGraph/scripts/ThermalModel.m

@@ -0,0 +1,38 @@
+classdef ThermalModel < BaseModel
+
+    methods
+
+        function model = registerVarAndPropfuncNames(model)
+
+            model = registerVarAndPropfuncNames@BaseModel(model);
+
+            varnames = {};
+            % Temperature
+            varnames{end + 1} = 'T';
+            % Accumulation term
+            varnames{end + 1} = 'accumTerm';
+            % Flux flux
+            varnames{end + 1} = 'flux';
+            % Heat source
+            varnames{end + 1} = 'source';
+            % Energy conservation
+            varnames{end + 1} = 'energyCons';
+
+            model = model.registerVarNames(varnames);
+
+            fn = @ThermalModel.updateFlux;
+            model = model.registerPropFunction({'flux', fn, {'T'}});
+
+            fn = @ThermalModel.updateAccumTerm;
+            model = model.registerPropFunction({'accumTerm', fn, {'T'}});
+
+            fn = @ThermalModel.updateEnergyCons;
+            inputnames = {'accumTerm', 'flux', 'source'};            
+            model = model.registerPropFunction({'energyCons', fn, inputnames});
+
+
+        end
+
+    end
+
+end

Documentation/computationalGraph/scripts/UncoupledReactionThermalModel.m

@@ -0,0 +1,12 @@
+classdef UncoupledReactionThermalModel < BaseModel
+    properties
+        Reaction
+        Thermal
+    end
+    methods
+        function model = UncoupledReactionThermalModel()
+            model.Reaction = ReactionModel();
+            model.Thermal  = ThermalModel();
+        end
+    end
+end

Documentation/computationalGraph/scripts/runScript.m

@@ -0,0 +1,34 @@
+set(0, 'defaultlinelinewidth', 3);
+set(0, 'defaultaxesfontsize', 15);
+
+% model = ReactionModel();
+% model = ReactionModel2();
+% model = ThermalModel();
+% model = ReactionThermalModel();
+model = UncoupledReactionThermalModel();
+% model = ConcentrationModel();
+% model = ConcentrationReactionModel();
+% model = ConcentrationReactionThermalModel();
+cgp = model.cgp;
+cgt = model.cgt;
+h = cgp.plot();
+% h = cgp.plotModelGraph();
+set(h, 'nodefontsize', 14);
+% set(h, 'nodefontsize', 9);
+set(h, 'linewidth', 3);
+set(h, 'arrowsize', 20);
+
+dosave = true;
+savedir = '../img';
+
+if dosave
+    % filename = 'reacmodelgraph.png';
+    % filename = 'reacmodelgraph2.png';
+    % filename = 'tempgraph.png';
+    % filename = 'concreacgraph.png';
+    % filename = 'tempconcreacgraphmodel.png';
+    filename = 'uncoupledreactemp.png';
+    filename = fullfile(savedir, filename);
+    saveas(gcf, filename)
+end
+

Documentation/index.rst

@@ -17,6 +17,7 @@
    Electrolyser simulation <publishedExamples/runElectrolyser>
    Protonic Membrane <publishedExamples/runProtonicMembrane>
    gui
+   Computational Graph <computationalGraph/graphdoc>
    seealso
    References <bibliography>