Project 1 - Parsing NASA thermodynamic data

Aim and Objective:-

1. To write the function that extracts the co-efficients from Nasa File using fopen and fgetl, and also to calculate the Specific Heat, Enthalpy and Entropy.
2. To plot the graph of Specific heat, enthalpy and entropy against the local temperature range for each species.
3. To calculate and display the molecular weight of each Species.
4. Create separate folder for every species with graph of specific heat, enthalpy and entropy of every species.

General Formula used :-

`Cp/R=a1+(a2*T)+(a3*T^2 )+(a4*T^3 )+(a5*T^4)`

`H/(R*T)=a1+(a2*T/2)+(a3* T^2/3)+(a4* T^3/4)+(a5* T^4/5)+ a6/T`

`S/R=(a1*log⁡(T) )+(a2*T)+(a3*T^2/2)+ (a4*T^3/3)+ (a5*T^4/4)+a7`

Methods used :-

1. For loop and fgetl is combinely used to extract and store each and every line and co-efficients from the NASA file.
2. It is also used to store graphs of every coefficient in a defined folder.
3. Function is written to calculate the Specific heat, Enthaly and Entropy
4. Function is written to calculate the Molecular weight of Species.

Content Body :-

1. For loop is used to get the data of 53 species.
2. Fgetl is used to extract each and every co-efficient of the specific species.
3. Num(molecule) is a program which is used to extract the 53 lines of species with there local temperature. And their corresponding lines are named as num(molecule)+1 i.e L1,L2 and L3
4. Fopen and fgetl are used to extract and store each and every line from the Nasa file.
5. Strsplit is used to split the string of line and present as individual string in that line
6. Str2double is used to convert the numbers from string to number.
7. Strfind is used to find the positions of E and G, which is also used to extract the co-efficient for particular species.
8. Function is called to calculate the specific heat, enthalpy and entropy and also molecular weight of that species.
9. Graph is plotted for specific heat, enthalpy and entropy against temperature for every species.
10. Mkdir is used to create the folder
11. Sprint is used to name the file we save
12. Fullfile is used to create the path to save the file
13. Saveas is used to save the file in the corresponding folder

clear all
close all
clc

tic

for molecule = 1 : 53;
     num = 6:4:218;  %species starting point
     
     L1 = num(molecule)+1; %coefficient line 1 of species
     L2 = num(molecule)+2; %coefficient line 2 of species
     L3 = num(molecule)+3; %coefficient line 3 of species
     
     %Reading a file and extracting every single line
     
     nasa_file = fopen('THERMO.dat','r');
     
     for line = 1:218;
         fline{line} = fgetl(nasa_file);
     end
     
     %Input
     R = 8.314; % Universal gas constant
     
     global_temp = strsplit(fline{2},' ');
     min_global_temp = str2double(global_temp{2});
     mid_global_temp = str2double(global_temp{3});
     max_global_temp = str2double(global_temp{4});
     
     %Species and local temp extraction
     local_temp = fline{num(molecule)};
     get_species = strsplit(local_temp,' ');
     species = get_species{1};
     
     %to find position G and local temp
     position_G = strfind(fline{num(molecule)},'G');
     min = local_temp(position_G(1)+2:position_G(1)+10);
     max = local_temp(position_G(1)+12:position_G(1)+20);
     mid = local_temp(position_G(1)+22:position_G(1)+30);
     
     tmin = str2double(min);
     tmax = str2double(mid);
     tmid = str2double(max);
     
     %finding the position E and also coefficient of species
     position_E1 = strfind(fline{L1},'E'); %finding E
     ceff_line1 = fline{L1};
     ceff1 = ceff_line1(1:position_E1(1)+3);
     ceff2 = ceff_line1(position_E1(1)+4:position_E1(2)+3);
     ceff3 = ceff_line1(position_E1(2)+4:position_E1(3)+3);
     ceff4 = ceff_line1(position_E1(3)+4:position_E1(4)+3);
     ceff5 = ceff_line1(position_E1(4)+4:position_E1(5)+3);
     
     position_E2 = strfind(fline{L2},'E'); %finding E
     ceff_line2 = fline{L2};
     ceff6 = ceff_line2(1:position_E2(1)+3);
     ceff7 = ceff_line2(position_E2(1)+4:position_E2(2)+3);
     ceff8 = ceff_line2(position_E2(2)+4:position_E2(3)+3);
     ceff9 = ceff_line2(position_E2(3)+4:position_E2(4)+3);
     ceff10 = ceff_line2(position_E2(4)+4:position_E2(5)+3);
     
      position_E3 = strfind(fline{L3},'E'); %finding E
     ceff_line3 = fline{L3};
     ceff11 = ceff_line3(1:position_E3(1)+3);
     ceff12 = ceff_line3(position_E3(1)+4:position_E3(2)+3);
     ceff13 = ceff_line3(position_E3(2)+4:position_E3(3)+3);
     ceff14 = ceff_line3(position_E3(3)+4:position_E3(4)+3);
     
     %converting string to num
     
     cef1 = str2double(ceff1);
     cef2 = str2double(ceff2);
     cef3 = str2double(ceff3);
     cef4 = str2double(ceff4);
     cef5 = str2double(ceff5);
     cef6 = str2double(ceff6);
     cef7 = str2double(ceff7);
     cef8 = str2double(ceff8);
     cef9 = str2double(ceff9);
     cef10 = str2double(ceff10);
     cef11 = str2double(ceff11);
     cef12 = str2double(ceff12);
     cef13 = str2double(ceff13);
     cef14 = str2double(ceff14);
     
     %creatinf an array of coefficient 
     
     Cefff = [cef1;cef2;cef3;cef4;cef5;cef6;cef7;cef8;cef9;cef10;cef11;cef12;cef13;cef14];
     
     %callinf a function to calculate properties
     %tpoint = 2*(number of temperature points between tmin and tmax)
     
     tpoint = 100;
     
    [properties] = thermo_file(Cefff,tmin,tmax,tmid,tpoint,R);
    data = properties';
     
    %calling a function to calculate molecular weight
    
    molecular_weight = chemical_formula(species);
    disp(['Molecular weight of' species]);
    disp(molecular_weight)

    %ploting
    %temperature vs specific heat
    figure(1)
    
    plot(data(:,1),data(:,2),'linewidth',3,'color','r')
    xlabel('Temperature')
    ylabel('Specific Heat')
    title('Species','color','k')
    grid on
   
    
    figure(2)
    
    plot(data(:,1),data(:,3),'linewidth',3,'color','b')
    xlabel('Temperature')
    ylabel('Enthalpy')
    title('Species','color','k')
    grid on
    
    figure(3)
    plot(data(:,1),data(:,4),'linewidth',3,'color','g')
    xlabel('Temperature')
    ylabel('Entropy')
    title('Species','color','k')
    grid on
    
    %create folder and save the graph
    
    %for each iteration SPECIES is different therefore 'mkdir'
    %create a directory for a SPECIES FOLDER in working folder
    
   
    folder_name = [species];
    
    mkdir(folder_name);
    
    figure_name1 = sprintf([species '_SpHeat.jpg']) ;
    figure_name2 = sprintf([species '_Enthalpy.jpg']);
    figure_name3 = sprintf([species '_Entropy.jpg']);
    
    folder_path1 = fullfile(folder_name,figure_name1);
    folder_path2 = fullfile(folder_name,figure_name2);
    folder_path3 = fullfile(folder_name,figure_name3);

    saveas(figure(1),folder_path1);
    saveas(figure(2),folder_path2);
    saveas(figure(3),folder_path3);
    
end

Study_time = toc

Function to calculate Specific heat, Enthalpy and Entropy :-

1. Properties is an array of temperature, specific heat, enthalpy and entropy.
2. Cefff is an array of 14 coefficients, first 7 co-efficient is a high temperature co-efficient and last 7 co-efficient is low temperature co-efficient.
3. R is a universal gas constant.
4. For loops are used to calculate the high temperature and low temperature co-efficient.

%to find specific, enthalpy, entropy for each species

function [properties] = thermo_file(Cefff,tmin,tmax,tmid,tpoint,R);

a1 = Cefff(1);
a2 = Cefff(2);
a3 = Cefff(3);
a4 = Cefff(4);
a5 = Cefff(5);
a6 = Cefff(6);
a7 = Cefff(7);
a8 = Cefff(8);
a9 = Cefff(9);
a10 = Cefff(10);
a11 = Cefff(11);
a12 = Cefff(12);
a13 = Cefff(13);
a14 = Cefff(14);

%Calculating enthalpy, entropy and specific heat for low temperature

lt = linspace(tmin,tmid,tpoint); % low temperature point
ht = linspace(tmid,tmax,tpoint); % high temperature point


%low temperature are a8,a9,a10,a11,a12,a13,a14

    for i = 1 : length(lt)
       cp(i) = (a8 + (a9*lt(i)) + (a10*lt(i).^2) + (a11*lt(i).^3) + (a12*lt(i).^4))*R;
       h(i) = (a8 + (a9*((lt(i).^2)./2)) + (a10*((lt(i).^3)./3)) + (a11*((lt(i).^4)./4)) + (a12*((lt(i).^5)./5)) + (a13/lt(i)))*R;
       s(i) = (a8*log(lt(i)) + (a9*lt(i)) + (a10*((lt(i).^2)./2)) + (a11*((lt(i).^3)./3)) + (a12*((lt(i).^4)./4)) + a14)*R;
       temperature(i) = lt(i);
       
    end
    
    %high temperature are a1,a2,a3,a4,a5,a6,a7
    
    for j = 1:length(ht);
        cp(j) = (a1 + (a2*ht(j)) + (a3*ht(j).^2) + (a4*ht(j).^3) + (a5*ht(j).^4))*R;
       h(j) = (a1 + (a2*((ht(j).^2)./2)) + (a3*((ht(j).^3)./3)) + (a4*((ht(j).^4)./4)) + (a5*((ht(j).^5)./5)) + (a6/ht(j)))*R;
       s(j) = (a1*log(ht(j)) + (a2*ht(j)) + (a3*((ht(j).^2)./2)) + (a4*((ht(j).^3)./3)) + (a5*((ht(j).^4)./4)) + a7)*R;
       temperature(j) = ht(j);
    end

    %Results
    
    properties = [temperature;cp;h;s];

end

Function to calculate molecular weight:-

1. Species is an input to the function.
2. For loop is used to extract and calculate the molecular weight of species.
3. Strcmpi is used to compare the Element with species and gives the logical number in the form of 0 and 1.
4. An array of mass and and numeric is created to store the mass number and number of molecules.
5. If h=1 it assigns the mass to species and if h=0 it converts the string to num. If it is greater than 1 it will assign to numeric(p).

%calculating the molecular weight

function molecular_weight = chemical_formula(species);
         elements = {'H' 'C' 'N' 'O' 'A'};
         atomic_mass = [1 12 14 16 40];
         
         %to store atomic mass of each element
         mass = zeros(1,length(species));
         
         %to store each molecule in the species
         numeric = ones(1,length(species)+1);
         
         %to get atomic weight of each element in a species
         for q = 1:length(species);
             for p = 1:length(elements);
                 h = strcmpi(species(q),elements(p));
                 
                 if h == 1;
                     mass(q) = atomic_mass(p);
                 else 
                     digit = str2double(species(q));
                  
                     if digit > 1;
                         numeric(q) = digit;
                     end
                 end
             end
    
         end

         %zeroes of mass arrays are replaced by atomic number of species
         %ones of numeric arrays are replaced by no. of molecules
         
         mass;
         numeric;
         initial = 0;
         
         %to calculate molecular weight of species
         
         for r = 1:length(species);
             Mass = initial + (mass(r).*numeric(r+1));
             initial = Mass;
         end
         
        molecular_weight = Mass; 
end

Conclusion:-

1. Specific Heat, enthalpy and entropy is calculated.
2. Molecular weight is calculated and also screenshot is attached.
3. Plots are attached for O2, N2 and Co2 species.