Project 1 - Parsing NASA thermodynamic data

1.Calculate the molecular weight of each species and display it in the command window.

3. Plot the Cp, Enthalpy and Entropy for the local temperature range (low temperature : high temperature) specific for each species.

4. 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.

5. taking the "THERMO.dat" file as an input and generate Cp, H and S plots.

6. write a detailed report to describing logic.

 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

MATLAB PROGRAMME:-

close all
clear all
clc


%reading of file

f1=fopen('THERMO.dat','r')
h=fgetl(f1)
for i=1:4
    h=fgetl(f1) % to skip 5 lines
   
end
 for i=1:53
h=fgetl(f1)       % 1st line of species
 A=strsplit(h,' ')
LT =str2num(A{end-3})
MT=str2num(A{end-1})
HT=str2num(A{end-2})
 species_name=(A{1})
T=linspace(LT,HT,15)
 tline=fgetl(f1);%  2nd line
a=findstr(tline,'E');
O1=str2double(tline(1:a(1)+3));
O2=str2double(tline(a(1)+4:a(2)+3));
O3=str2double(tline(a(2)+4:a(3)+3));
O4=str2double(tline(a(3)+4:a(4)+3));
O5=str2double(tline(a(4)+4:a(5)+3) );
 tline=  fgetl(f1);%  LINE 3RD
a=findstr(tline,'E');
O6=str2double(tline(1:a(1)+3));
O7=str2double(tline(a(1)+4:a(2)+3));
O8=str2double(tline(a(2)+4:a(3)+3));
O9=str2double(tline(a(3)+4:a(4)+3));
O10=str2double(tline(a(4)+4:a(5)+3));
tline =fgetl(f1);  %LINE 4TH
O11=str2double(tline(1:a(1)+3));
O12=str2double(tline(a(1)+4:a(2)+3));
O13=str2double(tline(a(2)+4:a(3)+3));
O14=str2double(tline(a(3)+4:a(4)+3));
%%for LOCAL_MIN_TEMP
for i=1:length(T)
    if T(i)>MT
CP(i)=(O1+O2*T(i)+O3*T(i)^2+O4*T(i)^3+O5*T(i)^4)*8.3144;
H(i)=(O1+O2*T(i)/2+O3*(T(i)^2)/3+O4*(T(i)^3/4)+O5*(T(i)^4)/5+06/T(i))*8.3144*T(i)
S(i)=(O1*log(T(i))+O2*T(i)+O3*(T(i))^2/2+O4*(T(i))^3/3+O5*(T(i))^4/4+O7)*8.3144;
% for LOCAL_MAX_TEMP
    else
CP(i)=(O8+O9*T(i)+O10*T(i)^2+O11*T(i)^3+O12*T(i)^4)*8.3144;
H(i)=(O8+O9*T(i)/2+O10*(T(i))^2/3+O11*(T(i))^3/4+O12*(T(i))^4/5+O13/T(i))*8.3144*T(i);
S(i)=(O8*log(T(i))+O9*T(i)+O10*(T(i))^2/2+O11*(T(i))^3/3+O12*(T(i))^4/4+O14)*8.3144;
    end
end
mkdir(['D:\plots\', species_name])
% plot for cp and temp
figure(1)
plot(T,CP,'linewidth',5,'color','r')
xlabel('T')
ylabel('CP')
figure(2)
plot(T,H,'linewidth',5,'color','r')
xlabel('T')
ylabel('H')
figure(3)
plot(T,S,'linewidth',5,'color','r')
xlabel('T')
ylabel('S')
cd(['D:\plots\', species_name])
saveas(1,'CP_T','jpg')
saveas(2,'H_T','jpg')
saveas(3,'S_T','jpg')
% MOLECULAR MASS CALCULATION
atom=['C','H','O','N','A']
atom_wt=[12.01,1.0079,16,14.006,39.95]
mol_mass=0
for i=1:length(atom_wt)
    for j=1:length(species_name)
        if strcmp(species_name(j),atom(i))
            mol_mass=mol_mass+atom_wt(i)
            x=i;
        end
    end
     
    z=str2double(species_name(j))
    if z>1
        %calculation of molar weight
        mol_mass=mol_mass+(atom_wt(x)*(z-1))
    end
end
% printing floating values of molecular mass
fprintf('molecular mass of %s is=%fn',species_name,mol_mass)

end

COMMAND EXPLANATION:-

1)

reading the file and using fgetl(f1)

to read the first line of the file and using for loop to skip next 4 lines

 

2) 

running the for loop for 53 times as there are 53 co-efficients and the code is for extracting the co-efficient of 1 so running 53 times means extracting them all .

here strsplit is used select the strings and str2num is used to convert them into number ,from end as data in little asymmetric in nature ,using{} brackets as they are strings,here defining LT,HT,MT and T WITH 15 POINTS as CP,H,S HAVE 15 points

using again fgetl(f1) for generating 2nd line and findstr to picking up a point and then taking the desired value .

 

3) 

 

using str2double to convert string to number and finding the position in order to get the correct no. and extracting all 14 co-efficients

 

4)

 

 

 

now calculating cp,h and s using if else condition for HT AND LT

 

5) 

 

 

making the directory using mkdir and creating the plots, redirecting using cd and saving the plots using saveas command.

 

6)

 

 

 

making array of element as atom and defining atom_wt and giving them indicies (i)

so that they can match now using strcmp to compare species element and elements of atom array and calculating the molar mass.

 

7) 

 

now printing molecular mass in command window.

 

 

RESULT:-

1)MOLECULAR WEIGHT:-

 

 

IN THE COMMAND WINDOW

 

2) SCREEN SHOT OF ALL THE FOLDERS

 

 

3) plots for O2,N2,CO2

  

 

 

O2

N2

CO2