Project 1 - Parsing NASA thermodynamic data

Main program:

clear
data = fopen('THERMO.dat','r');
r=fgetl(data);
a = fgetl(data);
b = str2num(a);
global_low_temp = b(1);
global_mid_temp = b(2);
global_high_temp = b(3);

for i = 3:5
    q = fgetl(data);
end

counter1 = 1;
counter2 = 1;
for j = 1:212
    
    base = fgetl(data);
    m = strsplit(base);
    n = m{end};
    
    
    if n == '1'
        %Species identifier
        species = m{1};
        all_species(counter1,:) = {species};
        
        all_species(counter1,2) = m(end-1);%local_temp1
        all_species(counter1,3) = m(end-2);%local_temp2
        all_species(counter1,4) = m(end-3);%local_temp3
                       
        counter1 = counter1 + 1;
        
    elseif n == '2'
        
        l1 = strfind(base,'E');        
        c1 = str2double(base(1:(l1(1)+3)));
        c2 = str2double(base((l1(1)+4):(l1(2)+3)));
        c3 = str2double(base((l1(2)+4):(l1(3)+3)));
        c4 = str2double(base((l1(3)+4):(l1(4)+3)));
        c5 = str2double(base((l1(4)+4):(l1(5)+3)));
                
    elseif n == '3'
        
        l2 = strfind(base,'E');        
        c6 = str2double(base(1:(l2(1)+3)));
        c7 = str2double(base((l2(1)+4):(l2(2)+3)));
        c8 = str2double(base((l2(2)+4):(l2(3)+3)));
        c9 = str2double(base((l2(3)+4):(l2(4)+3)));
        c10 = str2double(base((l2(4)+4):(l2(5)+3)));
            
    elseif n == '4'
        
        l3 = strfind(base,'E');        
        c11 = str2double(base(1:(l3(1)+3)));
        c12 = str2double(base((l3(1)+4):(l3(2)+3)));
        c13 = str2double(base((l3(2)+4):(l3(3)+3)));
        c14 = str2double(base((l3(3)+4):(l3(4)+3)));
        
        const = [c1;c2;c3;c4;c5;c6;c7;c8;c9;c10;c11;c12;c13;c14];
        all_constants((counter2),:) = {const};
        counter2 = counter2 + 1;
        
     end
end

all_data = [all_species all_constants]; %Combining all data into single cell for simplicity

counter3 = size(all_data); 
%% 
for k = 1:counter3(:,1)
    
    this_species = all_data{k,1};
    this_const = all_data{k,5};
    
    local_temp1 = str2double(all_data{k,2});
    local_temp2 = str2double(all_data{k,3});
    local_temp3 = str2double(all_data{k,4});
    all_local = [local_temp1;local_temp2;local_temp3];
    
    max_local_temp = max([local_temp1,local_temp2,local_temp3]);
    min_local_temp = min([local_temp1,local_temp2,local_temp3]);
    local_temps = linspace(min_local_temp,max_local_temp,200);
    
    %Finding mid temperature
    for y = 1:3
        if all_local(y,:) ~= max_local_temp && all_local(y,:) ~= min_local_temp
            mid_local = all_local(y,:);
        end 
    end
   
   [Cp,H,S] = formula(this_const,local_temps,mid_local);
   
   if ~exist('D:/Courses/_Matlab_practice/File_parsing/Species_results','dir')
       mkdir('D:/Courses/_Matlab_practice/File_parsing/Species_results/',this_species);
   else 
       mkdir('D:/Courses/_Matlab_practice/File_parsing/Species_results/',this_species);
   end
   
   %Plotting
   figure(1);
   plot(local_temps,Cp,'linewidth',2,'color','r');
   grid on;
   title(this_species);
   xlabel('Temperature');
   ylabel('Specific Heat');
   
   figure(2);
   plot(local_temps,H,'linewidth',2,'color','g');
   grid on;
   title(this_species);
   xlabel('Temperature');
   ylabel('Enthalpy');
   
   figure(3);
   plot(local_temps,S,'linewidth',2,'color','b');
   grid on;
   title(this_species);
   xlabel('Temperature');
   ylabel('Etropy');
   
   cd(['D:\Courses\_Matlab_practice\File_parsing\Species_results\',this_species]);
   saveas(1,'Specific Heat.jpg');
   saveas(2,'Enthalpy.jpg');
   saveas(3,'Entropy.jpg');
   
   cd('D:\Courses\_Matlab_practice\File_parsing')
   
   [final_molecular_weight] = molecular_weight(this_species);
   
   final_molecular_data(k,1) = {(this_species)};
   final_molecular_data{k,2} = final_molecular_weight;
   fprintf('The molecular mass of %s is f.\n',final_molecular_data{k,1},final_molecular_data{k,2});
   
   end

Function for the formulae:

function [Cp,H,S] = formula(this_const,local_temps,mid_local)
R = 8.314;
for i = 1:length(local_temps)
    if local_temps(i)>mid_local
        
Cp = (this_const(1) + this_const(2).*local_temps + this_const(3).*local_temps.^2 + this_const(4).*local_temps.^3 +this_const(5).*local_temps.^4).*R;
H  = (this_const(1) + (this_const(2).*local_temps)./2 + (this_const(3).*local_temps.^2)./3 + (this_const(4).*local_temps.^3)./4 +(this_const(5).*local_temps.^4)./5 + this_const(6)./local_temps).*local_temps.*R;
S  = (this_const(1).*log(local_temps) + this_const(2).*local_temps + (this_const(3).*local_temps.^2)./2 + (this_const(4).*local_temps.^3)./3 +(this_const(5).*local_temps.^4)./4  + this_const(7)).*R;

    else
    
Cp = (this_const(8) + this_const(9).*local_temps + this_const(10).*local_temps.^2 + this_const(11).*local_temps.^3 +this_const(12).*local_temps.^4).*R;
H = (this_const(8) + (this_const(9).*local_temps)./2 + (this_const(10).*local_temps.^2)./3 + (this_const(11).*local_temps.^3)./4 +(this_const(12).*local_temps.^4)./5 + this_const(13)./local_temps).*local_temps*R;
S = (this_const(8).*log(local_temps) + this_const(9).*local_temps + (this_const(10).*local_temps.^2)./2 + (this_const(11).*local_temps.^3)./3 +(this_const(12).*local_temps.^4)./4  + this_const(14)).*R;

    end
end
end

Function for the calculation of molecular mass:

function [final_molecular_weight] = molecular_weight(this_species)

elements = ['H','C','O','N','A','S'];
atomic_weight = [1.00794 12.0107 15.999 14.0067 39.948 32.065];

final_molecular_weight = 0;

for i = 1:length(this_species)
    for j = 1:length(elements)
        if strcmp(this_species(i),elements(j))
            final_molecular_weight = final_molecular_weight + atomic_weight(j);
            a = j;
        end
    end
    
    n = str2num(this_species(i));
    if n > 1
        final_molecular_weight = final_molecular_weight + atomic_weight(a)*(n-1);
    end
end
end

Code explanation:

1. 1. The code opens the thermo.dat file
2. The global temperatures are obtained
3. a couple of lines are skipped
4. The code basically reads the last character of the line and does the necessary extraction of constants based on the last line of code
5. If the line ends with 1, then the local temperatures are extracted ( low, mid and high)
6. The name of the species are also extracted at the same time.
7. If the line ends with 2, then 5 constants are extracted i.e. c1 to c5.
8. If the line ends with 3, then c6 to c10 are extracted.
9. If the line ends with 4, then c11 to c14 are extracted.
10. all of the constants are combined into one single array
11. The species name, the local temperatures as well as the constants are stored in a single cell for easier access.
12. Each row of the cell is extracted, first with the species name and then the constants.
13. The local temps for each species are also extracted for that species.
14. The max and the min are also identified along with the mid-temperature
15. Cp, H and S are calculated using the function.
16. the plots for Cp, H and S are shown and saved in the respective species named folder.
17. The molecular weight is calculated
18. The molecular weight along with the species name is displayed
19. END

Results:

O2:

N2:

CO2: