Project 1 - Parsing NASA thermodynamic data

% Project 1 - Parsing NASA thermodynamic data

% Main code

% Parsing NASA thermodynamic data
clear all
close all
clc

% Opening the data file
f1 = fopen('THERMO.dat','r');
fgetl(f1);

% Reading the header information
tline = fgetl(f1)
A = strsplit(tline,' ');
global_low_temp = str2num(A{2});
global_mid_temp = str2num(A{3});
global_high_temp = str2num(A{4});
fgetl(f1);
fgetl(f1);
fgetl(f1);
for i =1:53
    l1 = fgetl(f1);
    m = strsplit(l1,' ');
    species_name = m{1};
    endl = length(m);

    local_low_temp = str2num(m{endl-3});
    local_high_temp = str2num(m{endl-2});
    local_mid_temp = str2num(m{endl-1});
    tline1 = fgetl(f1);
    a = findstr(tline1,'E');

    a1 = tline1(1:a(1)+3);
    a1 = str2num(a1);
    a2 = tline1(a(1)+4:a(2)+3);
    a2 = str2num(a2);
    a3 = tline1(a(2)+4:a(3)+3);
    a3 = str2num(a3);
    a4 = tline1(a(3)+4:a(4)+3);
    a4 = str2num(a4);
    a5 = tline1(a(4)+4:a(5)+3);
    a5 = str2num(a5);

    tline2 = fgetl(f1);
    b = findstr(tline2,'E');

    a6 = tline2(1:b(1)+3);
    a6 = str2num(a6);
    a7 = tline2(b(1)+4:b(2)+3);
    a7 = str2num(a7);
    a8 = tline2(b(2)+4:b(3)+3);
    a8 = str2num(a8);
    a9 = tline2(b(3)+4:b(4)+3);
    a9 = str2num(a9);
    a10 = tline2(b(4)+4:b(5)+3);
    a10 = str2num(a10);

    tline3 = fgetl(f1);
    c = findstr(tline3,'E');

    a11 = tline3(1:c(1)+3);
    a11 = str2num(a11);
    a12 = tline3(c(1)+4:c(2)+3);
    a12 = str2num(a12);
    a13 = tline3(c(2)+4:c(3)+3);
    a13 = str2num(a13);
    a14 = tline3(c(3)+4:c(4)+3);
    a14 = str2num(a14);
    
    % Calculating Cp,H and S
    T = linspace(local_low_temp,local_high_temp,1000);
    R = 8.314;
    
    if(T>local_mid_temp)
        % High temperature coefficients
        Cp = (a1+a2*T+a3*T.^2+a4*T.^3+a5*T.^4).*R;
        H = (a1+(a2*T)/2+(a3*T.^2)/3+(a4*T.^3)/4+(a5*T.^4)/5+(a6./T)).*R.*T;
        S =  (a1*log(T)+a2*T+(a3*T.^2)/2+(a4*T.^3)/3+(a5*T.^4)/4+a7).*R;
        % Low temperature coefficients
    else
        Cp = (a8+a9*T+a10*T.^2+a11*T.^3+a12*T.^4).*R;
        H = (a8+(a9*T)/2+(a10*T.^2)/3+(a11*T.^3)/4+(a12*T.^4)/5+(a13./T)).*R.*T;
        S =  (a8*log(T)+a9*T+(a10*T.^2)/2+(a11*T.^3)/3+(a12*T.^4)/4+a14).*R;
    end
    
    % Plotting Cp, S and H with Temperature
    figure(1)
    plot(T,Cp,'LineWidth',3,'Color','g');
    xlabel('Temperature (K)');
    ylabel('Specific heat (KJ)');
    title(species_name);
    grid on
    figure(2)
    plot(T,S,'LineWidth',3,'Color','b');
    xlabel('Temperature (K)');
    ylabel('Entropy (KJ/mol-K)');
    title(species_name);
    grid on
    figure(3)
    plot(T,H,'linewidth',3,'Color','r');
    xlabel('Temperature (T)');
    ylabel('Enthalphy (kJ/mol)');
    title(species_name);
    grid on

    % Creating and saving in a folder
    mkdir(species_name);
    cd(species_name);
    saveas(1,'SpecificHeat','jpg');
    saveas(2,'Entropy','jpg');
    saveas(3,'Enthalpy','jpg');

    cd ..

    % Calculating molecular weight
    elements = ['H','C','O','N','A'];
    atomic_weight = [1.008 12.011 15.999 14.007 39.984];
    mol_mass = 0;
    for i = 1:length(species_name)
        for m = 1:length(elements)
            if strcmp(species_name(i),elements(m))
                mol_mass = mol_mass + atomic_weight(m);
                position = m
            end
        end
        n = str2double(species_name(i));
        if n>1
            mol_mass = mol_mass + atomic_weight(position)*(n-1);
        end
    end
    sprintf('Molecular weight of %s:%f ', species_name, mol_mass)
end
fclose(f1);

% Screenshots

% Explanation

1. To start the program with clear all which clears the workspace, close all which closes all the previous plots, and clc which clears the command window.
2. Now 'THERMO.dat' file is opened using fopen command. And the lines of this file were read and extracted using fgetl command.
3. The strsplit command is used to split string on the element of delimeter. Global low, mid and high temperatures are read and stored in global_low_temp, global_mid_temp and global_high_temp. We use str2num command to convert strings into numbers.
4. We have 53 species and 14 coefficients, using forloop the name of species and their coefficient is extracted.
5. Next we calculate the values of Cp, H and S for high temperature coefficients and low temperature coefficients. We use if else condition to calculate it.
6. Next we plot Cp, S and H with temperature with the help of plot command.
7. Now we use mkdir command to create a new folder.
8. cd command is used to change current folder.
9. Saveas command is used to save figure for specific file format.
10. Next we calculate molecular weight of the species. We define the main elements of all 53 species in an array elements that are - ' H C O N A'.
11. Then by taking above main elements we will create their atomic_weight array that are - 1.008 12.011 15.999 14.007 39.948.
12. Molecular weight initially set to 0. Then we create a for loop condition which runs to the length of the species_name and an another for loop is created by us which runs to the lenght of the string elements.
13. Next we use if condition and strcmp command to compare the species_name and elements strings to calculate molecular mass, if by comparison both strings found same then we will assign its molecular weight.
14. We use sprintf command to print the molecular weight .

% Plots of Cp, S and H with Temperature of the species O2 N2 CO2 respectively

% O2

% Specific Heat vs Temperature

% Entropy vs Temperature

% Enthalpy vs Temperature

% N2

% Specific Heat vs Temperature

% Entropy vs Temperature

% Enthalpy vs Temperature

% CO2

% Specific Heat vs Temperature

% Entropy vs Temperature

% Enthalpy vs Temperature

% Window where all the species folders are saved

% Molecular weight of the species