Project 1 - Parsing NASA thermodynamic data

% molecular_weight.m
% Function to calculate Molecular Weight
function maindata = molecular_weight(maindata)
% Creating character vector of all letters appearing in the element name
std_element = {'C','H','O','N','A','S'};
% Creating atomic weight vector corresponding to the letters
atomic_wt = [12,1,16,14,40,32];
struct_size = length(maindata);
for i = 1:struct_size
name = maindata(i).Name;
mol_wt = 0;
for j = 1:length(name)
for k = 1:length(std_element)
% Comparing the element name with vector-std_element
if strcmp(name(j),std_element(k))==1
mol_wt = mol_wt + atomic_wt(k);
pos = k;
break
end
end
% Converting the number(but actually a string) in element name into number
num = str2double(name(j));
if num>1
mol_wt = mol_wt + (atomic_wt(pos).*(num-1));
end
end
% Saving the Melocular Weight Values of each species
% in the structure 'maindata'
maindata(i).Molec_Wt = mol_wt;
end
end​

program for specific data collecton:

%                  species_data_collect.m
% This function extracts the species name,local temperatures and
% coefficients form the data file

function maindata = species_data_collect(f1,species_count)
% This function returns the species name,local temperatures and
% coefficients as the structure 'maindata'
for i = 1:species_count
    string = fgetl(f1);
    name = strtok(string);  % extracts the first token in 'string'
    temp_pos = strfind(string,'.'); % finding position of '.' in 'string'
    
    % Extracting the local temperatures
    local_low_temp = str2double(string(temp_pos(1)-3:temp_pos(1)+3));
    local_high_temp = str2double(string(temp_pos(2)-4:temp_pos(2)+3));
    local_mid_temp = str2double(string(temp_pos(3)-4:temp_pos(3)+3));
    
    % Saving the species name & local temperatures into the structure
    % 'maindata'
    maindata(i).Name = name;
    maindata(i).Local_Temp = [local_low_temp,local_high_temp,local_mid_temp];
    
    % Extracting coefficients from first line
    line1 = fgetl(f1);
    E_pos1 = strfind(line1,'E');
    a1 = str2double(line1(1:E_pos1(1)+3));
    a2 = str2double(line1(E_pos1(1)+4:E_pos1(2)+3));
    a3 = str2double(line1(E_pos1(2)+4:E_pos1(3)+3));
    a4 = str2double(line1(E_pos1(3)+4:E_pos1(4)+3));
    a5 = str2double(line1(E_pos1(4)+4:E_pos1(5)+3));
    
    % Extracting coefficients from second line
    line2 = fgetl(f1);
    E_pos2 = strfind(line2,'E');
    a6 = str2double(line2(1:E_pos2(1)+3));
    a7 = str2double(line2(E_pos2(1)+4:E_pos2(2)+3));
    b1 = str2double(line2(E_pos2(2)+4:E_pos2(3)+3));
    b2 = str2double(line2(E_pos2(3)+4:E_pos2(4)+3));
    b3 = str2double(line2(E_pos2(4)+4:E_pos2(5)+3));
    
    % Extracting coefficients from third line
    line3 = fgetl(f1);
    E_pos3 = strfind(line3,'E');
    b4 = str2double(line3(1:E_pos3(1)+3));
    b5 = str2double(line3(E_pos3(1)+4:E_pos3(2)+3));
    b6 = str2double(line3(E_pos3(2)+4:E_pos3(3)+3));
    b7 = str2double(line3(E_pos3(3)+4:E_pos3(4)+3));
    
    % Saving the coefficients in the structure 'maindata'
    maindata(i).Coeff = [a1 a2 a3 a4 a5 a6 a7 b1 b2 b3 b4 b5 b6 b7];
    
end

program for specific heat calculation:

%                specific_heat_calc.m
% Function to calculate Specific Heat for 500 temperature values
% Cp = (a1 + a2*T + a3*T^2 + a4*T^3 + a5*T^4)*R

function maindata = specific_heat_calc(maindata,R)
struct_size = length(maindata);
for i = 1:struct_size
    llt = maindata(i).Local_Temp(1);
    lht = maindata(i).Local_Temp(2);
    lmt = maindata(i).Local_Temp(3);
    T = linspace(llt,lht,500);
    a = maindata(i).Coeff;
    for k = 1:length(T)
        % if condition: checks temperature with local mid temperature for
        % choosing the correct set of coefficients for Cp calculation
        if T(k)>= lmt
            % Here Cp will be calculated using high temperature
            % coefficients i.e a[1:7]
            Cp(k) = (a(1) + a(2)*T(k) + a(3)*T(k)^2 + a(4)*T(k)^3 + a(5)*T(k)^4)*R;
        else
            % Here Cp will be calculated using low temperature
            % coefficients i.e a[8:14]
            Cp(k) = (a(8) + a(9)*T(k) + a(10)*T(k)^2 + a(11)*T(k)^3 + a(12)*T(k)^4)*R;
        end
    end
    
    % Saving the Temperature values & Specific Heat Values of each species 
    % in the structure 'maindata'
    maindata(i).Temp_Values = T;
    maindata(i).Sp_Heat_Values = Cp;
end
end

program for plot function:

%                plot_func.m
% This function plots the Cp vs T , H vs T and S vs T graphs for all
% elements in the input argument 'maindata' structure and svaes them 
% in seperate folders 

function [] = plot_func(maindata)

struct_size = length(maindata);
for i = 1:struct_size
    name = maindata(i).Name;
    mkdir('Results',name);  % creates a new folder in the current directory
    
    % Plotting Specific Heat v/s Temperature Plot
    figure(1)
    plot(maindata(i).Temp_Values,maindata(i).Sp_Heat_Values,'color','r','linewidth',3)
    xlabel('Temperature T(K)')
    ylabel('Specific Heat Cp(kJ/K)')
    title(sprintf('Specific Heat v/s Temperature Plot for %s',name))
    
    % Plotting Enthalpy v/s Temperature Plot
    figure(2)
    plot(maindata(i).Temp_Values,maindata(i).Enthalpy_Values,'color','m','linewidth',3)
    xlabel('Temperature T(K)')
    ylabel('Enthalpy(kJ/kg)')
    title(sprintf('Enthalpy v/s Temperature Plot for %s',name))
    
    % Plotting Entropy v/s Temperature Plot
    figure(3)
    plot(maindata(i).Temp_Values,maindata(i).Entropy_Values,'color','b','linewidth',3)
    xlabel('Temperature T(K)')
    ylabel('Entropy(kJ/K)')
    title(sprintf('Entropy v/s Temperature Plot for %s',name))
    
    path = 'C:\Users\chand\Desktop\mat lab programs\nasa project\Results';
    
    plot_1 = fullfile(path,name,'Specific_Heat_vs_Temperature_Plot.jpg');
    plot_2 = fullfile(path,name,'Enthalpy_vs_Temperature_Plot.jpg');
    plot_3 = fullfile(path,name,'Entropy_vs_Temperature_Plot.jpg');
    
      saveas(figure(1),plot_1)
    saveas(figure(2),plot_2)
    saveas(figure(3),plot_3)
end
end

program for element plot show:

%                           element_plot_showcase.m
% This function displays the Specific Heat,Enthalpy and Entropy plots of a
% specific element as per user input

function [] = element_plot_showcase(maindata)

% Asking User Response
choice = questdlg('Do you want to view H-T, S-T, C-T plot of any element?','User Response','Yes','No','No');
ctrl = 0;
while ctrl == 0
    switch choice
        case 'Yes'
            h = msgbox({'The elements present in the databse are as follows:'...
                    'O, O2, H, H2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2(S)'...
                    'CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, H3O, CH3OH, C2H'...
                    'C2H2, C2H3, C2H4, C2H5, C2H6, CH2CO, HCCO, HCCOH, H2CN'...
                    'HCN, HNO, N, NNH, N2O, NH, NH2, NH3, NO, NO2, HCNO, HOCN'...
                    'HNCO, NCO, CN, HCNN, N2, AR, C3H8, C3H7, CH3CHO, CH2CHO'});
                    user = inputdlg('Enter the element name: ');
                    delete(h);
                    pos = 0;
                    for n = 1:length(maindata)
                        temp_name = maindata(n).Name;
                        if strcmpi(temp_name,user)==1
                            pos = n;
                            break
                        end
                    end

                    if pos ~= 0
                        path = 'C:\Users\chand\Desktop\mat lab programs\nasa project\Results';
                        filename1 = fullfile(path,temp_name,'Enthalpy_vs_Temperature_Plot.jpg');
                        image1 = imread(filename1);
                        figure(1)
                        imshow(image1);

                        filename2 = fullfile(path,temp_name,'Entropy_vs_Temperature_Plot.jpg');
                        image2 = imread(filename2);
                        figure(2)
                        imshow(image2);

                        filename3 = fullfile(path,temp_name,'Specific_Heat_vs_Temperature_Plot.jpg');
                        image3 = imread(filename3);
                        figure(3)
                        imshow(image3);
                        
                        choice = questdlg('Do you want to view H-T, S-T, C-T plot of any other element?','User Response','Yes','No','No');
                    else
                        uiwait(msgbox('Please enter a valid element name...!'))
                    end
        case 'No'
            ctrl = 1;
    end
end
end

screen shot for molicular weight of each specied:

screen shot for molicular data collecton folder:

images of each plot:

Conclusion

The file parsing project includes several modules from finding correct information, converting them to useful form, plotting the relations and saving them automatically at the correct location. All these tasks led to great learning of various functions related to file handling in MATLAB and cleared confusions between some functions too. This project helps to enhance the thought process and logical thinking also. Overall, it was interesting and a bit challenging project to complete.

references:

all thanks to all my teachers from skill lync to teach about and special thanks to Jophil Joseph he already done the project and great referenace to complete understand the project because a long study gap is difficult to understand the equations and excicute it.