Master

MFC_load_range.asv

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+clear all
+close all
+
+%%
+mechanism={'MFC'};
+% fuel_sim={'base','v1','v2','v3' };
+fuel_sim={'modify'};
+fuel_name={'n_dodecane'};
+date = {'03_06_2017_'};
+equi =1;
+% pressure=[20 40 ];
+pressure = [20 40];
+for k=1:length(pressure)
+    pressure_text{k}=['P',num2str(pressure(k)),'atm'];
+end
+
+classnumb=[15 26 27];
+numbOfClass = length(classnumb);
+class_numb_text = {};
+for k=1:numbOfClass
+    class_numb_text=[class_numb_text ['class',num2str(classnumb(k))]];
+end
+num_cases=[26 11];
+num_cases_text = {};
+for k=1:num_cases(1)
+    num_cases_text=[num_cases_text ['numcases',num2str(k)]];
+end
+%%
+
+for i=1:length(mechanism)
+    for j=1:length(fuel_sim)
+     for k = 1: length(classnumb)   
+%         phi=1 simulation results
+        for m=1:length(pressure)
+            for q=1:num_cases(m)
+                location=['C:\Users\unghee\Dropbox\post_process','\',mechanism{i},'\',fuel_name{1},'_',num2str(pressure(m))...
+                 ,'atm','_','phi',num2str(equi),'_',date{1},'\',fuel_sim{j},'\',class_numb_text{k},'\',num2str(q)];        
+                sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{m}).(num_cases_text{q})=read_ignition_delay(location,7);
+            end
+        end
+
+     end
+    end
+end   
+
+
+directory=['C:\Users\unghee\Dropbox\post_process','\',mechanism{1},'\',fuel_name{1},'_',num2str(pressure(1))...
+    ,'atm','_','phi',num2str(equi),'_',date{1}];
+cd(directory);
+cd(fuel_sim{1});
+filename = ['simulation_result','_',fuel_sim{1},'_',num2str(pressure(1)),'atm','_','phi','_',num2str(equi),'.mat'];
+save(filename,'sim')

MFC_load_range.m

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+clear all
+close all
+
+%%
+mechanism={'MFC'};
+% fuel_sim={'base','v1','v2','v3' };
+fuel_sim={'modify'};
+fuel_name={'n_dodecane'};
+date = {'03_08_2017'};
+equi =1;
+% pressure=[20 40 ];
+pressure = [20];
+for k=1:length(pressure)
+    pressure_text{k}=['P',num2str(pressure(k)),'atm'];
+end
+
+classnumb=[15 22 26 27 28];
+numbOfClass = length(classnumb);
+class_numb_text = {};
+for k=1:numbOfClass
+    class_numb_text=[class_numb_text ['class',num2str(classnumb(k))]];
+end
+num_cases=[26 11];
+num_cases_text = {};
+for k=1:num_cases(1)
+    num_cases_text=[num_cases_text ['numcases',num2str(k)]];
+end
+%%
+
+for i=1:length(mechanism)
+    for j=1:length(fuel_sim)
+     for k = 1: length(classnumb)   
+%         phi=1 simulation results
+        for m=1:length(pressure)
+            for q=1:num_cases(m)
+                location=['C:\Users\unghee\Dropbox\post_process','\',mechanism{i},'\',fuel_name{1},'_',num2str(pressure(m))...
+                 ,'atm','_','phi',num2str(equi),'_',date{1},'\',fuel_sim{j},'\',class_numb_text{k},'\',num2str(q)];        
+                sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{m}).(class_numb_text{k}).(num_cases_text{q})=read_ignition_delay(location,7);
+            end
+        end
+
+     end
+    end
+end   
+
+
+directory=['C:\Users\unghee\Dropbox\post_process','\',mechanism{1},'\',fuel_name{1},'_',num2str(pressure(1))...
+    ,'atm','_','phi',num2str(equi),'_',date{1}];
+cd(directory);
+cd(fuel_sim{1});
+filename = ['simulation_result','_',fuel_sim{1},'_',num2str(pressure(1)),'atm','_','phi','_',num2str(equi),'.mat'];
+save(filename,'sim')

README.md

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+# Chemical Mechanisms Optimizer
+5/08/2017 Jordan Lee (unghee@umich.edu)1
+#About Mechanisms Optimizer  
+The  optimizer  optimizes  reaction  rate  parameters(pre-exponential  and  activation energyterms)  in  the  selected  reactions  in  the chemicalmechanism in Chemkin  format.  The optimizerruns  in  MATLAB  framework. Chemkin  homogeneous  reactor  simulationsare  usedto calculate 0-D ignition delay time.
+
+# 2 Files description in the optimizer 
+The homogeneous reactor code in Chemkin is used. For a detailed description on this code, please refer to CHEMKIN ignition delay calculations manual. The flow chart of the entire process is as below.In whole, the optimizer is composed of sensitivity analysis sectionand 
+
+<img src= "https://github.com/unghee/JPoptimization_github/blob/master/images/optimizer_flow.png">

Ra_Reitz_load_data.m

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+clear all
+close all
+
+%%
+mechanism={'MFC'};
+
+fuel_sim={'afteroptimize_3'};
+fuel_name={'JetA'};
+date = {'05_03_2017'};
+equi =1;
+
+pressure = [40];
+for k=1:length(pressure)
+    pressure_text{k}=['P',num2str(pressure(k)),'atm'];
+end
+num_cases=25;
+
+
+for i=1:length(mechanism)
+    for j=1:length(fuel_sim)
+
+%         phi=1 simulation results
+        for k=1:length(pressure)
+        location=['C:\Users\unghee\Dropbox\post_process','\',mechanism{i},'\',fuel_name{1},'_',num2str(pressure(k)),'atm','_','phi',num2str(equi),'_',date{1},'\',fuel_sim{j}];
+
+        sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k})=read_ignition_delay(location,num_cases);
+
+        end
+
+
+    end
+end   
+
+directory=['C:\Users\unghee\Dropbox\post_process','\',mechanism{1},'\',fuel_name{1},'_',num2str(pressure(1)),'atm','_','phi',num2str(equi),'_',date{1}];
+
+cd(directory);
+cd(fuel_sim{1});
+filename = ['simulation_result','_',fuel_sim{1},'_',num2str(pressure(1)),'atm','_','phi','_',num2str(equi),'.mat'];
+save(filename,'sim')

Ra_Reitz_plot_2.asv

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+clear all
+% close all
+%% Ra&Reitz
+
+%%%%%% setting  %%%%%%%%%%%%%%%%%%%%%%%%%%%
+mechanism={'MFC' };
+
+pressure=[40];
+phi=1;
+iteration_numb=3;
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+for k=1:length(pressure)
+    pressure_text{k}=['P',num2str(pressure(k)),'atm'];
+
+    simulation_result_beforeoptimize_text{k}=['simulation_result_beforeoptimize_',num2str(pressure(k)),'atm','_',...
+        'phi','_',num2str(phi),'.mat'];
+    for i= 1 : length(iteration_numb)
+    simulation_result_afteroptimize_text{k}=['simulation_result_afteroptimize_',num2str(iteration_numb(i)),'_',...
+        num2str(pressure(k)),'atm','_','phi','_',num2str(phi),'.mat'];
+    end
+    fuel_sim_text = ['afteroptimize','_',num2str(iteration_numb(i))];
+end
+
+num_cases=25;
+
+
+pure_component_ID;
+real_fuel_ID;
+
+exp_markers={'ro' 'g*' 'b^'};
+sim_line={'k-' 'k-s','k-d','k-^','k-x','k-o','k-p'};
+marker_size=8;
+line_width=2;
+
+i=1; %mechanism
+
+
+num_cases=[26 11];
+num_cases_text = {};
+for k=1:num_cases(1)
+    num_cases_text=[num_cases_text ['numcases',num2str(k)]];
+end
+% classnumb=[22 24 26 28];
+% numbOfClass = length(classnumb);
+% class_numb_text = {};
+% for k=1:numbOfClass
+%     class_numb_text=[class_numb_text ['class',num2str(classnumb(k))]];
+% end
+for k = 1: length(pressure)
+
+h3=figure('position',[20 50 580 480]);
+set(gca,'Fontsize',13)
+clear legend_text
+% % legend_text{1}='Vasu et al.40atm, Shock Tube';
+% legend_text{1}='Shen et al.40atm, Shock Tube';
+% % semilogy(Vasu_40atm(:,2),Vasu_40atm(:,5)/1000,exp_markers{2},'markersize',marker_size)
+% semilogy(Shen_dode_40atm(:,2),Shen_dode_40atm(:,5),exp_markers{2},'markersize',marker_size)
+
+% legend_text{1}=['ERC',pressure_text{k},'Dummy'];
+% legend_text{2}=['ERC',pressure_text{k},'target(original)'];
+% legend_text{3}=['ERC',pressure_text{k},'after optimize'];
+
+legend_text{1}=['MFC ',pressure_text{k},', ','beforeoptimize'];
+    if strcmp(pressure_text{k},'P20atm')
+%         legend_text{2}=['Vasu, ',pressure_text{k},', ','target'];
+        legend_text{3}=['exp, ',pressure_text{k},', ','target'];
+
+    else
+%         legend_text{2}=['Shen, ',pressure_text{k},', ','target'];
+        legend_text{3}=['exp, ',pressure_text{k},', ','target'];
+    end
+
+legend_text{2}=['MFC ',pressure_text{k},', after optimize'];
+
+
+    load(simulation_result_beforeoptimize_text{1})
+    fuel_sim={'beforeoptimize'};
+
+     for j=1:length(fuel_sim)
+        semilogy(sim.(mechanism{i}).(fuel_sim{1}).(pressure_text{k}).table.data(:,6),...
+        sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k}).table.data(:,10),...
+        'k--','markersize',marker_size)
+     end
+
+
+    hold on
+
+
+
+
+    load(simulation_result_afteroptimize_text{1})
+    fuel_sim={fuel_sim_text};
+
+
+
+     semilogy(sim.(mechanism{1}).(fuel_sim{1}).(pressure_text{k}).table.data(:,6),...
+     sim.(mechanism{1}).(fuel_sim{1}).(pressure_text{k}).table.data(:,10),...
+     'b','markersize',marker_size)
+
+
+ylim([0 10^5]);
+
+
+
+%     hold on
+
+    if strcmp(pressure_text{k},'P20atm')
+%     semilogy(Vasu_dode_20atm(:,2),Vasu_dode_20atm(:,5),'r*','markersize',marker_size) % pure dodecane
+    semilogy(Vasu_20atm(:,2),Vasu_20atm(:,5),'r^','markersize',marker_size,'markerface','r') % Jet A
+    hold on;
+    semilogy(Wang_20atm(:,2),Wang_20atm(:,5),'r^','markersize',marker_size,'markerface','r') % Jet A
+    hold on;
+    semilogy(Dooley_20atm(:,2),Dooley_20atm(:,5),'r^','markersize',marker_size,'markerface','r')  % Jet A
+    else
+%     semilogy(Shen_dode_40atm(:,2),Shen_dode_40atm(:,5),'r*','markersize',marker_size)% pure dodecane
+    semilogy(Wang_40atm(:,2),Wang_40atm(:,5),'rd','markersize',marker_size,'markerface','r') % Jet A
+    end
+%% upper bound & lowerbond
+% The below shows the range of the variation 
+
+%     hold on
+% 
+% 
+%     load('simulation_result_modify_20atm_phi_1.mat')
+%     fuel_sim={'modify'};
+% 
+% 
+% %     for j=1:length(fuel_sim)
+% %         for q= 1: num_cases(k)
+% %         semilogy(sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k}).(num_cases_text{q}).table.data(:,6),...
+% %         sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k}).(num_cases_text{q}).table.data(:,10),...
+% %         'bo','markersize',marker_size);
+% %         end
+% %     end
+% %     hold on;
+% 
+%  x.(class_numb_text{1})=[]; y.(class_numb_text{1})=[];
+%     for j=1:length(fuel_sim)
+%         for q= 1: num_cases(k)
+%             for m = 1: length(classnumb) 
+%         x.(class_numb_text{m})(q)=sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k}).(class_numb_text{m}).(num_cases_text{q}).table.data(1,6);
+%         y.(class_numb_text{m})(q)=sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k}).(class_numb_text{m}).(num_cases_text{q}).table.data(4,10);
+%             end
+%             
+%         end
+%     end
+%     for m = 1: length(classnumb) 
+% %      semilogy(x.(class_numb_text{m}),y.(class_numb_text{m}),'k','markersize',marker_size,'LineWidth',1.5);
+%      hold on;
+%     end
+%  x.(class_numb_text{1})=[]; y.(class_numb_text{1})=[];
+%     for j=1:length(fuel_sim)
+%         for q= 1: num_cases(k)
+%             for m = 1: length(classnumb)
+%         x.(class_numb_text{m})(q)=sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k}).(class_numb_text{m}).(num_cases_text{q}).table.data(1,6);
+%         y.(class_numb_text{m})(q)=sim.(mechanism{i}).(fuel_sim{j}).(pressure_text{k}).(class_numb_text{m}).(num_cases_text{q}).table.data(7,10);
+%             end
+%             
+%         end
+%     end
+%         for m = 1: length(classnumb) 
+% %      semilogy(x.(class_numb_text{m}),y.(class_numb_text{m}),'k','markersize',marker_size,'LineWidth',1.5);  
+%      hold on;
+%         end
+%%    
+    legend(legend_text,'location','SouthEast','interpreter','none')
+    legend('boxoff')
+    xlabel('1000/T (1/K)')
+    ylabel('Ignition Delay Time (micros)')
+    % axis([0.7 1.6 20 40000])
+    % clear legend_text
+    annotation(h3,'textbox',[0.413 0.38 0.279 0.05],...
+    'String',{'JetA',...
+     '/Air', '\phi=1'},...
+    'FontSize',13,...
+    'FontName','Arial',...
+    'FitBoxToText','off',...
+    'LineStyle','none');
+    annotation(h3,'textbox',[0.25 0.8 0.279 0.05],...
+    'String',{pressure_text{k}},...
+    'FontSize',13,...
+    'FontName','Arial',...
+    'FitBoxToText','off',...
+    'LineStyle','none');
+
+
+end