Project 1 - Parsing NASA thermodynamic data

AIM:

To extract all the coefficients of the species mention in the data file and calculate their parameters like enthalpy,entropy and specific heat.To plot the variations of these parameters for the specified temperature range. To determine the molecular masses of the individual species mention in the data file.

PROGRAM :

%primary parsuing code
clear all
close all 
clc
%opening and reading the requriedthe reading file
file = fopen("THERMO.dat",'r')

%Heading 
for i=1:5
    fgetl(file);
end

%species information

for i=1:53
    species = fgetl(file);
    species_name = species(1:6);

Line_1 =fgetl(file);
 
L1 = strfind(Line_1,'E');
c1 = str2num(Line_1(1:(L1(1)+3)));
c2 = str2num(Line_1((L1(1)+4):(L1(2)+3)));
c3 = str2num(Line_1((L1(2)+4):(L1(3)+3)));
c4 = str2num(Line_1((L1(3)+4):(L1(4)+3)));
c5 = str2num(Line_1((L1(4)+4):(L1(5)+3)));


line_2 = fgetl(file);
L2 = strfind(line_2,'E');
c6 = str2num(line_2(1:(L2(1)+3)));
c7 = str2num(line_2((L2(1)+4):(L2(2)+3)));
c8 = str2num(line_2((L2(2)+4):(L2(3)+3)));
c9 = str2num(line_2((L2(3)+4):(L2(4)+3)));
c10 = str2num(line_2((L2(4)+4):(L2(5)+3)));

line_3 = fgetl(file);
L2 = strfind(line_3,'E');
c11 = str2num(line_3(1:(L2(1)+3)));
c12 = str2num(line_3((L2(1)+4):(L2(2)+3)));
c13= str2num(line_3((L2(2)+4):(L2(3)+3)));
c14 = str2num(line_3((L2(3)+4):(L2(4)+3)));


%creating folder for each species
t=sprintf('%s',species_name);
 mkdir(t);

%Temperature ranges assumed for calculation purpose
Temperature = linspace(300,5000,100);

%universal gas constant
R = 8.314;

%calculating of prroperties based on the lower and upper Temperature
for j = 1:length(Temperature)
    if Temperature(j)<3000 

Cp = (c1+c2.*Temperature+c3.*Temperature.^2+c4.*Temperature.^3+c5.*Temperature.^4).*R;
H = (c1+(c2.*Temperature)./2+(c3.*Temperature.^2)/3+(c4.*Temperature.^3)/4+(c5.*Temperature.^4/5)+c6./Temperature).*Temperature.*R;
S = (c1*log(Temperature)+c2.*Temperature+(c3.*Temperature.^2)/2+(c4.*Temperature.^3)/3+(c5.*Temperature.^4)/4+c7)*R;
    else
Cp =(c8+c9.*Temperature+c10.*Temperature.^2+c11.*Temperature.^3+c12.*Temperature.^4 ).*R;
H = (c8+(c9.*Temperature)./2+(c10.*Temperature.^2)/3+(c11.*Temperature.^3)/4+(c12.*Temperature.^4/5)+c6./Temperature).*Temperature.*R;
S = (c8*log(Temperature)+c9.*Temperature+(c10.*Temperature.^2)/2+(c11.*Temperature.^3)/3+(c12.*Temperature.^4)/4+c14)*R;
    end
end
    %plotting 
    

    %Temperature vs entropy
    figure(1)
    plot(Temperature,S,"linewidth",4,"color","y")
    title('T vs S')
    xlabel('Temperature')
    ylabel('entropy')
    
    %Temperature vs enthalpy
    figure(2)
    plot(Temperature,H,"linewidth",4,"color","r")
    title('T vs H')
    xlabel('Temperature')
    ylabel('enthalpy')

     %Temperature vs specific heat
    figure(3)
    plot(Temperature,Cp,"linewidth",4,"color","b")
    title('T vs Cp')
    xlabel('Temperature')
    ylabel('specific heat')

   cd(t)
    

    %saving the plots
    saveas(1,'entropy.jpg');
    saveas(1,'enthalpy.jpg');issue in images output
    saveas(1,'specific heat.jpg');

cd ..
% mm = molecular_mass(species_name)

end
fclose(file)

EXPLINATION:

Initially open the thermodynamic data file and read the data file in the file and store the data to thevariables F.

Then read the header file of the thermodynamic data and calculate the low and high temperatures from the second line of the data file .

By using fget(),strspit()andstr2num() command find out the global low and high temperatures in the second line

Then calculate the 14 coefficients for all thespecies in the given thermodynamic data file

In the data file each species has three lines in which 14 coefficients are there

By using the for loop calculate the 14 coefficients of the species

By using the strfind()command find out the no of exponentials in first line, by which we can find out the no of co efficients in first line

onces you find out ,then convert the coefficients fromsrring form to the number form by using str2num()command.

By doing the above steps for line two and three, we can calculate the 14 coefficients of the species

once you find out the coefficient for yhe speciesthen calculate the entropy,enthalpy and specific heat

We find the coefficients are Low temperature :High temperature coefficients and calculate the S,H and cp

Assuming univarsal gas constant R=8.314j/mol-k and assuming the temperature ranges from 100 to 5000 take 100 values for linspace() command

Once you calculate the entropy,enthalpy and specific heat for all the species plot the graph between temperature vs entropy , temperature vs enthalpy and temperature vs specific heat

Store the all three plots for all the species in the file

Finally calculate the molecular weight for all the species to run a separate program for all the species

function mm = molecular_masses(species_name)
species = upper(species_name);

constituents = ['H','C','N','O','A'];

Atomic_weight = [1.00794 12.0107 14.0067 15.9994 39.948];

mm = 0
for i=1:length(species)
    for j=1:length(constituents)
        if strcmp(species(i),constituents(j))
            mm = mm + Atomic_weight(j);
            u = j;
        end
    end
    n = str2num(species(i));
    if n>1
        mm = mm+Atomic_weight(u)*(n-1);

    end
end
end

The method for calculating molecular masses is shown in the above program

GRAPHS:

FOR O2

FOR N2

FFOR CO2

COMMANDS :

file =

20

Warning: Directory already exists.
> In parsing_nasa_thermodynamic_data (line 47)
Error using checkArgsForHandleToPrint
Handle input argument contains nonhandle values.

Error in checkArgsForHandleToPrint

Error in print>LocalCreatePrintJob (line 101)
handles = checkArgsForHandleToPrint(0, varargin{:});

Error in print (line 38)
[pj, inputargs] = LocalCreatePrintJob(varargin{:});

Error in saveas (line 181)
print( h, name, ['-d' dev{i}] )

Error in parsing_nasa_thermodynamic_data (line 97)
saveas(1,'enthalpy.jpg');issue in images output