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Challenge

Project 1 - Parsing NASA thermodynamic data

BBibifariya Inamdar13 Mar 2022

Aim:- . Write a function that extracts the 14 co-efficients and calculates the enthalpy, entropy and specific heats for all the species in the data file. You will be reading this file NASA thermodynamic data(Tip: use fopen and fgetl). The formulae are shown below.

Here R is the universal gas constant, T is the temeprature

The FIRST 7 coefficients are HIGH-temperature coefficients and the SECOND 7 coefficients are LOW-temperature coefficients.

Also use the LOCAL TEMPERATURE RANGES which is unique for each individual species, not the GLOBAL TEMPERATURE RANGE.

  1. Calculate the molecular weight of each species and display it in the command window.
  2. Plot the Cp, Enthalpy and Entropy for the local temperature range (low temperature : high temperature) specific for each species.
  3. Save the plots as images with appropriate names and dump them in separate folders for each species with suitable name. All these should be generated automatically.
  4. The main program that you will submit will just take the "THERMO.dat" file as an input and generate Cp, H and S plots.
  5. Please write a detailed report to describe your logic.

Cp= Specific heat

H=Enthalpy

S=Entropy

Temp = Temperature

R= Universal gas constant.

Main Coding -Thermodynamic file parsing of NASA

clear all

close all

clc

%opening and reading the Thermo.dat file

file = fopen ('THERMO.dat','r');

%removing first 5 line i.e. headings

for i = 1:5

f=fgetl(file);

end

%extracting the species and 14 coefficient values

for j=1:53

% heading of file

species=fgetl(file);

A=strsplit(species,' ');

species_name=A{1};

local_low_temp=str2double(A(end-3));

local_high_temp=str2double(A(end-2));

local_mid_temp=str2double(A(end-1));

%extract coefficent

%Line1

line1=fgetl(file);

%Find Position of E in the first line using variable e1

e1=strfind(line1,'E');

%Find 14 coefficients of each specifies

a1=str2double(line1(1:e1(1)+3));

a2=str2double(line1(e1(1)+4:e1(2)+3));

a3=str2double(line1(e1(2)+4:e1(3)+3));

a4=str2double(line1(e1(3)+4:e1(4)+3));

a5=str2double(line1(e1(4)+4:e1(5)+3));

%Line 2

line2=fgetl(file);

%Find Position of E in the second line using variable e2

e2=strfind(line2,'E');

a6=str2double(line2(1:e2(1)+3));

a7=str2double(line2(e2(1)+4:e2(2)+3));

a8=str2double(line2(e2(2)+4:e2(3)+3));

a9=str2double(line2(e2(3)+4:e2(4)+3));

a10=str2double(line2(e2(4)+4:e2(5)+3));

%Line 2

line3=fgetl(file);

%Find Position of E in the second line using variable e2

e3=strfind(line3,'E');

a11=str2double(line3(1:e3(1)+3));

a12=str2double(line3(e3(1)+4:e3(2)+3));

a13=str2double(line3(e3(2)+4:e3(3)+3));

a14=str2double(line3(e3(3)+4:e3(4)+3));

%creating folder for each species

%mkdir('C:/Users/jagda/OneDrive/Desktop/fileParsing/species/',species_name);

%Universal gas constant R = (8.3144598(48) J.mol?1?K?1);

R = (8.314);

%LOCAL TEMPERATURE RANGES which is unique assumed for calculation purpose

temp = linspace(local_low_temp,local_high_temp,100);

%Plots for o2, N2 and Co2 species.

req_species=["O2","N2","CO2"];

if(species_name==req_species(1))||(species_name==req_species(2))||(species_name==req_species(3))

%specific heat fuction coading

C_p =R*specific_heat_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp);

%entholpy function coading

H= R*entholpy_calc(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,local_mid_temp,temp);

%entropy fuction coading

S= R*entropy_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp);

mkdir(species_name);

cd(species_name);

%Plot Specific heat vs Temperature

figure(1)

plot(temp,C_p)

title('Specific heat vs Temperature')

xlabel('Temperature')

ylabel('Specific heat')

%image=getframe(gcf);

%imwrite(image.cdata,'C-p vs temp.png')

saveas(1,'Specific_heat','jpg')

%Plot Specific heat vs Temperature

figure(2)

plot(temp,H)

title('Entholpy vs Temperature')

xlabel('Temperature')

ylabel('Entholpy')

%image=getframe(gcf);

%imwrite(image.cdata,'entholpy vs temp.png')

saveas(2,'Entholpy','jpg')

%Plot Specific heat vs Temperature

figure(3)

plot(temp,S)

title('entropy vs Temperature')

xlabel('Temperature')

ylabel('Entropy')

%image=getframe(gcf);

%imwrite(image.cdata,'entropy vs temp.png');

saveas(3,'Entropy','jpg')

cd ..

end

MW1=molecular_weight(species_name);

MWeight=sprintf('Molecular weight of %s is %f',species_name,MW1);

disp(MWeight);

end

Function coding of Specific heat:

function [C_p]=specific_heat_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp)

if (temp>local_mid_temp)

C_p = (a1+(a2*temp)+(a3*(temp.^2))+(a4*(temp.^3))+(a5*(temp.^4)));

else

C_p = (a8+(a9*temp)+(a10*(temp.^2))+(a11*(temp.^3))+(a12*(temp.^4)));

end

end

Function coding of Entholpy:

function [H]=entholpy_calc(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,local_mid_temp,temp)

if (temp>local_mid_temp)

H =(a1+(a2*temp)/2)+(a3*(temp.^2)/3)+(a4*(temp.^3)/4)+(a5*(temp.^4)/5+a7);

else

H =(a8+(a9*temp)/2)+(a10*(temp.^2)/3)+(a11*(temp.^3)/4)+(a12*(temp.^4)/5+a14);

End

End

Function coding of Entropy:

function[S]=entropy_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp)

if (temp>local_mid_temp)

S=(a1*log(temp))+(a2*temp)+(a3*(temp.^2)/2)+(a4*(temp.^3)/3)+(a5*(temp.^4)/4+a7);

else

S=(a8*log(temp))+(a9*temp)+(a10*(temp.^2)/2)+(a11*(temp.^3)/3)+(a12*(temp.^4)/4+a14);

end

end

Function coding of molecular weight:

function [MW]=molecular_weight(species_names)

atomic_names = ['H','C','O','N','Ar'];

atomic_weights = [1.007784, 12.0107, 15.999, 14.0067, 39.948];

W=0;

for i=1:length(species_names)

for j=i:length(atomic_names)

if species_names(i)==atomic_names(j)

W=W+atomic_weights(j);

position=j;

end

end

n=str2double(species_names(i));

if n>=1

W=W+atomic_weights(position)*(n-1);

end

end

MW=W;

end

Screenshot of the window where all the folders are saved:

Plots for Co2 species :

Plots for N2 species:

Plots for O2 species:

The molecular weight of each species and displayed it in the command window:

Molecular weight of O is 15.999000

Molecular weight of O2 is 31.998000

Molecular weight of H is 1.007784

Molecular weight of H2 is 2.015568

Molecular weight of OH is 15.999000

Molecular weight of H2O is 18.014568

Molecular weight of HO2 is 33.005784

Molecular weight of H2O2 is 34.013568

Molecular weight of C is 12.010700

Molecular weight of CH is 12.010700

Molecular weight of CH2 is 24.021400

Molecular weight of CH2(S) is 24.021400

Molecular weight of CH3 is 36.032100

Molecular weight of CH4 is 48.042800

Molecular weight of CO is 28.009700

Molecular weight of CO2 is 44.008700

Molecular weight of HCO is 29.017484

Molecular weight of CH2O is 24.021400

Molecular weight of CH2OH is 24.021400

Molecular weight of CH3O is 36.032100

Molecular weight of CH3OH is 36.032100

Molecular weight of C2H is 24.021400

Molecular weight of C2H2 is 36.032100

Molecular weight of C2H3 is 48.042800

Molecular weight of C2H4 is 60.053500

Molecular weight of C2H5 is 72.064200

Molecular weight of C2H6 is 84.074900

Molecular weight of CH2CO is 24.021400

Molecular weight of HCCO is 13.018484

Molecular weight of HCCOH is 13.018484

Molecular weight of H2CN is 16.022268

Molecular weight of HCN is 27.025184

Molecular weight of HNO is 31.013484

Molecular weight of N is 14.006700

Molecular weight of NNH is 28.013400

Molecular weight of N2O is 44.012400

Molecular weight of NH is 14.006700

Molecular weight of NH2 is 28.013400

Molecular weight of NH3 is 42.020100

Molecular weight of NO is 30.005700

Molecular weight of NO2 is 46.004700

Molecular weight of HCNO is 27.025184

Molecular weight of HOCN is 31.013484

Molecular weight of HNCO is 15.014484

Molecular weight of NCO is 42.016400

Molecular weight of CN is 26.017400

Molecular weight of HCNN is 41.031884

Molecular weight of N2 is 28.013400

Molecular weight of AR is 39.948000

Molecular weight of C3H8 is 120.107000

Molecular weight of C3H7 is 108.096300

Molecular weight of CH3CHO is 36.032100

Molecular weight of CH2CHO is 24.021400 

clear all
close all
clc
 
%opening and reading the Thermo.dat file
file = fopen ('THERMO.dat','r');
%removing first 5 line i.e. headings
for i = 1:5
    f=fgetl(file);
end
 
%extracting the species and 14 coefficient values
 
for j=1:53
% heading of file 
    species=fgetl(file);
    A=strsplit(species,' ');
    species_name=A{1};
 
    local_low_temp=str2double(A(end-3));
    local_high_temp=str2double(A(end-2));
    local_mid_temp=str2double(A(end-1));
 
    %extract coefficent 
    %Line1
    line1=fgetl(file);
    %Find Position of E in the first line using variable e1
    e1=strfind(line1,'E');
    %Find 14 coefficients of each specifies
    a1=str2double(line1(1:e1(1)+3));
    a2=str2double(line1(e1(1)+4:e1(2)+3));
    a3=str2double(line1(e1(2)+4:e1(3)+3));
    a4=str2double(line1(e1(3)+4:e1(4)+3));
    a5=str2double(line1(e1(4)+4:e1(5)+3));
    %Line 2
    line2=fgetl(file);
    %Find Position of E in the second line using variable e2
    e2=strfind(line2,'E');
    a6=str2double(line2(1:e2(1)+3));
    a7=str2double(line2(e2(1)+4:e2(2)+3));
    a8=str2double(line2(e2(2)+4:e2(3)+3));
    a9=str2double(line2(e2(3)+4:e2(4)+3));
    a10=str2double(line2(e2(4)+4:e2(5)+3));
    %Line 2
    line3=fgetl(file);
    %Find Position of E in the second line using variable e2
    e3=strfind(line3,'E');
    a11=str2double(line3(1:e3(1)+3));
    a12=str2double(line3(e3(1)+4:e3(2)+3));
    a13=str2double(line3(e3(2)+4:e3(3)+3));
    a14=str2double(line3(e3(3)+4:e3(4)+3));
    %creating folder for each species 
    %mkdir('C:/Users/jagda/OneDrive/Desktop/fileParsing/species/',species_name); 
 
    %Universal gas constant R = (8.3144598(48) J.mol?1?K?1);
    R = (8.314);
    %LOCAL TEMPERATURE RANGES which is unique assumed for calculation purpose
    temp = linspace(local_low_temp,local_high_temp,100);
 
    %Plots for o2, N2 and Co2 species.
    req_species=["O2","N2","CO2"];
    if(species_name==req_species(1))||(species_name==req_species(2))||(species_name==req_species(3))
        %specific heat fuction coading
         C_p =R*specific_heat_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp);
         %entholpy function coading 
         H= R*entholpy_calc(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,local_mid_temp,temp);
         %entropy fuction coading
         S= R*entropy_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp);
         mkdir(species_name);
         cd(species_name);
            %Plot Specific heat vs Temperature 
                figure(1)
                plot(temp,C_p)
                title('Specific heat vs Temperature')
                xlabel('Temperature')
                ylabel('Specific heat')
                %image=getframe(gcf);
                %imwrite(image.cdata,'C-p vs temp.png')
                saveas(1,'Specific_heat','jpg')
                %Plot Specific heat vs Temperature                 
                figure(2)
                plot(temp,H)
                title('Entholpy vs Temperature')
                xlabel('Temperature')
                ylabel('Entholpy')
                %image=getframe(gcf);
                %imwrite(image.cdata,'entholpy vs temp.png')
                saveas(2,'Entholpy','jpg')
                %Plot Specific heat vs Temperature 
                figure(3)
                plot(temp,S)
                title('entropy vs Temperature')
                xlabel('Temperature')
                ylabel('Entropy')
                %image=getframe(gcf);
                %imwrite(image.cdata,'entropy vs temp.png');
               saveas(3,'Entropy','jpg')
   
    cd ..
    end

    MW1=molecular_weight(species_name);        
    MWeight=sprintf('Molecular weight of %s is %f',species_name,MW1);
    disp(MWeight);
 
end



Function coding of Specific heat:
function [C_p]=specific_heat_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp)
     if (temp>local_mid_temp)   
    C_p = (a1+(a2*temp)+(a3*(temp.^2))+(a4*(temp.^3))+(a5*(temp.^4)));
     else   
    C_p = (a8+(a9*temp)+(a10*(temp.^2))+(a11*(temp.^3))+(a12*(temp.^4)));   
     end
end

Function coding of Entholpy:
function [H]=entholpy_calc(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,local_mid_temp,temp)
     if (temp>local_mid_temp)
         H =(a1+(a2*temp)/2)+(a3*(temp.^2)/3)+(a4*(temp.^3)/4)+(a5*(temp.^4)/5+a7);
     else
         H =(a8+(a9*temp)/2)+(a10*(temp.^2)/3)+(a11*(temp.^3)/4)+(a12*(temp.^4)/5+a14);
     End
 End

Function coding of Entropy:
function[S]=entropy_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,a14,local_low_temp,local_mid_temp,local_high_temp,temp)
 if (temp>local_mid_temp)
     S=(a1*log(temp))+(a2*temp)+(a3*(temp.^2)/2)+(a4*(temp.^3)/3)+(a5*(temp.^4)/4+a7);
 else
     S=(a8*log(temp))+(a9*temp)+(a10*(temp.^2)/2)+(a11*(temp.^3)/3)+(a12*(temp.^4)/4+a14);
 end
end


Function coding of molecular weight:
function [MW]=molecular_weight(species_names)
    atomic_names = ['H','C','O','N','Ar'];
    atomic_weights = [1.007784, 12.0107, 15.999, 14.0067, 39.948];
    W=0;
        for i=1:length(species_names)
            for j=i:length(atomic_names)
                if species_names(i)==atomic_names(j)
                    W=W+atomic_weights(j);
                    position=j;
                end
            end
            n=str2double(species_names(i));
            if n>=1
                W=W+atomic_weights(position)*(n-1);
            end
        end
        MW=W;
end
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