Challenge

Project 1 - Parsing NASA thermodynamic data

SSutheepsan Ns8 Apr 2022

Aim:

The main aim of the program is to create a code to parse the NASA thermo data file and to calculate its properties with nesessory plots.

Formula used:

File parsing:

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maincode:

clear all
close all
clc

%reading the thermo file
file=fopen('THERMO.dat','r')

%Adding heading
line_1=fgetl(file)

%GT values
line_2=fgetl(file)
global_temperature = strsplit(line_2,' ')
Global_low_temperature = str2num(global_temperature{2})
Global_mid_temperature = str2num(global_temperature{3})
Global_high_temperature = str2num(global_temperature{4})

%skippping 3 lines
fgetl(file)
fgetl(file)
fgetl(file)

%for loop to extract coefficients and calculation of Cp,H and S
for i=1:53
    species=fgetl(file)
    A=strsplit(species,'')
    species_name=A{1}
    
   %obtaining local temperature
   
   l_temperature=species(49:75)
   local=strsplit(l_temperature,' ')
   l_temperature=str2num(local{1})
   h_temperature=str2num(local{2})
   m_temperature=str2num(local{3})
   
   %extracting the coefficients
   
   %first line coefficients
   line1_coefficient=fgetl(file)
   C=findstr(line1_coefficient,'E')
   c1=str2num(line1_coefficient(1:C(1)+3))
   c2=str2num(line1_coefficient(C(1)+4:C(2)+3))   
   c3=str2num(line1_coefficient(C(2)+4:C(3)+3)) 
   c4=str2num(line1_coefficient(C(3)+4:C(4)+3))  
   c5=str2num(line1_coefficient(C(4)+4:C(5)+3))
   
   %ssecomd line coefficients
   line2_coefficient=fgetl(file)
   D=findstr(line2_coefficient,'E')
   c6=str2num(line2_coefficient(1:D(1)+3))
   c7=str2num(line2_coefficient(D(1)+4:D(2)+3))
   c8=str2num(line2_coefficient(D(2)+4:D(3)+3))
   c9=str2num(line2_coefficient(D(3)+4:D(4)+3))  
   c10=str2num(line2_coefficient(D(4)+4:D(5)+3))
 
   %third line coefficients
    line3_coefficient=fgetl(file)
    T=findstr(line3_coefficient,'E')
   c11=str2num(line3_coefficient(1:T(1)+3))
   c12=str2num(line3_coefficient(T(1)+4:T(2)+3))
   c13=str2num(line3_coefficient(T(2)+4:T(3)+3))   
   c14=str2num(line3_coefficient(T(3)+4:T(4)+3))
  
   
   L=linspace(l_temperature,h_temperature,1000)
   R=8.314
   

   for j=1:length(L)
      if L>m_temperature
           Cp=(c1+c2.*(L)+c3.*(L.^2)+c4.*(L.^3)+c5.*(L.^4))*R
           H=(c1+(c2.*L)./2+(c3.*L.^2)./3+(c4.*L.^3)./4+(c5.*L.^4)./5+(c6./L)).*L*R
           S=(c1*log(L)+(c2.*L)+(c3.*L.^2)./2+(c4.*L.^3)./3+(c5.*L.^4)./4+c7)*R
      else
           Cp=(c8+c9.*(L)+c10.*(L.^2)+c11.*(L.^3)+c12.*(L.^4))*R
           H=(c8+(c9.*L)./2+(c10.*L.^2)./3+(c11.*L.^3)./4+(c12.*L.^4)./5+(c13./L)).*L*R
           S=(c8*log(L)+(c9.*L)+(c10.*L.^2)./2+(c11.*L.^3)./3+(c12.*L.^4)./4+c14)*R
       
      end
   end
   
   %creating the folder
   
   cd(species_name)
   mkdir(species_name)
   
   
   %plotting
  %Temperature vs Specific heat 
figure(1);
plot(L,Cp)
xlabel('Temperature(K)');
ylabel('Specific Heat (kJ/Kmol-K)');
title('species_name')
saveas(1,'cp.png')

%Temperature vs Enthalpy
figure(2);
plot(L,H)
xlabel('Temperature(K)');
ylabel('Enthalpy (J)');
title('species_name');
saveas(2,'enthalpy.png')


%Temperature vs Entropy
figure(3);
plot(L,S)
xlabel('Temperature(K)');
ylabel('Entropy(J/K)')
title('species_name');
saveas(3,'entropy.png')

cd('C:/Users/BLACKBOX/parsing data')

M_WEIGHT=mw(species_name)
sprintf('The molecular mass of %s is %d,species_name,M_WEIGHT')


end
   
fclose(file)

Code Explaination:

1. The coding gets started with the command

clear all
close all
clc

then the THERMO.dat file is readed with the command

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

2.Then the extraction of global temperature is done by the command

line_2=fgetl(file)
global_temperature = strsplit(line_2,' ')
Global_low_temperature = str2num(global_temperature{2})
Global_mid_temperature = str2num(global_temperature{3})
Global_high_temperature = str2num(global_temperature{4})

3.The for loop is used to extract the coefficients and the calculation of all 53 species,the code used is mentioned below

line1_coefficient=fgetl(file)
C=findstr(line1_coefficient,'E')
c1=str2num(line1_coefficient(1:C(1)+3))
c2=str2num(line1_coefficient(C(1)+4:C(2)+3))
c3=str2num(line1_coefficient(C(2)+4:C(3)+3))
c4=str2num(line1_coefficient(C(3)+4:C(4)+3))
c5=str2num(line1_coefficient(C(4)+4:C(5)+3))

%ssecomd line coefficients
line2_coefficient=fgetl(file)
D=findstr(line2_coefficient,'E')
c6=str2num(line2_coefficient(1:D(1)+3))
c7=str2num(line2_coefficient(D(1)+4:D(2)+3))
c8=str2num(line2_coefficient(D(2)+4:D(3)+3))
c9=str2num(line2_coefficient(D(3)+4:D(4)+3))
c10=str2num(line2_coefficient(D(4)+4:D(5)+3))

%third line coefficients
line3_coefficient=fgetl(file)
T=findstr(line3_coefficient,'E')
c11=str2num(line3_coefficient(1:T(1)+3))
c12=str2num(line3_coefficient(T(1)+4:T(2)+3))
c13=str2num(line3_coefficient(T(2)+4:T(3)+3))
c14=str2num(line3_coefficient(T(3)+4:T(4)+3))

4.The linspace command is used to generate the values.

L=linspace(l_temperature,h_temperature,1000)

5. The for loop command amd the if-else command is to add some conditions.

for j=1:length(L)
if L>m_temperature
Cp=(c1+c2.*(L)+c3.*(L.^2)+c4.*(L.^3)+c5.*(L.^4))*R
H=(c1+(c2.*L)./2+(c3.*L.^2)./3+(c4.*L.^3)./4+(c5.*L.^4)./5+(c6./L)).*L*R
S=(c1*log(L)+(c2.*L)+(c3.*L.^2)./2+(c4.*L.^3)./3+(c5.*L.^4)./4+c7)*R
else
Cp=(c8+c9.*(L)+c10.*(L.^2)+c11.*(L.^3)+c12.*(L.^4))*R
H=(c8+(c9.*L)./2+(c10.*L.^2)./3+(c11.*L.^3)./4+(c12.*L.^4)./5+(c13./L)).*L*R
S=(c8*log(L)+(c9.*L)+(c10.*L.^2)./2+(c11.*L.^3)./3+(c12.*L.^4)./4+c14)*R

end
end

6.Then the folder gets created and the plotting is done for

%Temperature vs Specific heat

%Temperature vs Enthalpy

%Temperature vs Entropy

withe the necessary plots including necessory xlabels and ylabels'

and then the file gets closed using the command fclose(file) .

Code2:Function code for calculating molecular mass:

function[mol_wt]=mw( species_name)

%calculating molecular mass
M = upper(species_name);
E = ['H','C', 'N','0', 'AR'];
At_wt = [1,12,14,16,40];
mol_wt = 0;

for k = 1:length(M)
for n = 1:length(E)
if strcmp(M(K), E(n));
mol_wt = mol_wt + At
p = n;
end
end
y = str2num (M(K));
if y>1
mol_wt=mol_wt + At_wt(p)*(y-1)
end
end

end

Result:

*Screenshot where all folders gets saved.