Challenge

Project 1 - Parsing NASA thermodynamic data

AAleti Harish Kumar Reddy27 Jan 2022

AIM:

To write a code to evaluate NASA thermodynamic data and to calculate therodynamic properties like entropy,enthalpy,specific heat and molecular mass.

OBJECTIVES:

To write a code to extract 14 coefficients from given data file and need to calculate thermodynamic properties from given data.
To plot temperature vs thermodynamics properties for all species.After plotting need to save in a seperate file automattically.
Need to calculate molecular mass for each species.

INPUTS AND FORMULAS USED IN CODING:

Taken R=8.314

 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)).*R.*temperature;
 S=(c1*log(temperature)+c2.*temperature+(c3.*temperature.^2)/2+(c4.*temperature.^3)/3+(c5.*temperature.^4)/4+c7).*R;

Where,

cp=specific heat

H=Enthalphy

S=entropy

PROCEDURE:

code Started with close all,clear all,clc commands to clear all data in workspace,command window and to clear all previous pots.
To read the given file used 'fopen' command and read the thermodynamic data and stored in a variable 'F'.
In fopen command we used a key word 'r' which means read mode.
using fgetl,strsplit,str2num commands we have found global high low,medium temperatures.
extracting and calculating 14 coefficients from the file, by using for loop.
The first line is read by using fgetl command which is the title of the file.
Nextline temperature is read and stored the values by splitting the values using split string command.
Next three lines are ignored by using fgetl command.
Next by using for loop program as itterated 53 times and calculated all the required values for calculation.
In for loop we have sorted out all the coefficients and stored in a variables c1,c2,c3,c4,c5,c6,c7,c8,c9,c10,c11,c12,c13,c14.
Using linspace command we have generated more values of temperature in betwwen given temperatures for making plotting.
After finding all the species we have calculated entorp,enthaply,specific heat.
First 7 coefficients are used for low and mid temperatures and next 7 coefficients are used for high temperatures.
By using if else functions we have calculated entropy enthalpy,specific heat based on low and high temperatures
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)).*R.*temperature;
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+(c13./temperature)).*R.*temperature;
S=(c8*log(temperature)+c9.*temperature+(c10.*temperature.^2)/2+(c11.*temperature.^3)/3+(c12.*temperature.^4)/4+c14).*R;
end
After calculating all the values, by using plot command all the characterstics like temperaturevs entropy, temperature vs enthalpy, temperature vs specific heat need to be plotted.
using save as command all these plots are saved individually folder for each species and saved in one folder.

PROGRAM:

%parsing NASA thermodynamic data and evaluating thermodynamics properties
clear all
close all
clc
%reading the file and storing the data in variable F
F=fopen('THERMO.dat','r')
%reading heading of the file and storing on the variable LINE1
line1=fgetl(F);
%reading the low,mid and high temperatures
line2=fgetl(F)
%Reading the commnets lines in the file
line3=fgetl(F)
line4=fgetl(F)
line5=fgetl(F)
%spliting the temperatures in line 2
A= strsplit(line2,' ') %'strsplit' command is used to split the string 
%converting the splitted string in to number and storing in variables
low_temperature=str2num(A{2})  
mid_temperature=str2num(A{3})
high_temperature=str2num(A{4})
for i=1:53
species=fgetl(F);
species_name=species(1:6);
%extracting the species from 1st line
line_1=fgetl(F);
%finding the position of string in the line1
L1=findstr(line_1,'E');
%Extracting the constants and storing in the variables
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)));
%extracting the species from second line
line_2=fgetl(F);
%finding the position of string in the line2
L2=findstr(line_2,'E');
%Extracting the constants and storing in the variables
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)));
%extracting the species from 3rd line
line_3=fgetl(F);
%finding the position of string in the line2
L3=findstr(line_3,'E');
%Extracting the constants and storing in the variables
c11=str2num(line_3(1:(L3(1)+3)));
c12=str2num(line_3((L3(1)+4):(L3(2)+3)));
c13=str2num(line_3((L3(2)+4):(L3(3)+3)));
c14=str2num(line_3((L3(3)+4):(L3(4)+3)));


%temperatures assumed for with in given ranges using linspace command
temperature=linspace(300.0,5000.0,200);
%take universal gas constant
R=8.314;
%Calculating enthalpy,entropy,specific heat
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)).*R.*temperature;
        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+(c13./temperature)).*R.*temperature;
        S=(c8*log(temperature)+c9.*temperature+(c10.*temperature.^2)/2+(c11.*temperature.^3)/3+(c12.*temperature.^4)/4+c14).*R;
    end
end
%plotting
%plotting temperature and enthalpy
figure(1);
plot(temperature,H,'linewidth',3,'color','b');
title(species_name);
xlabel('temperature');
ylabel('enthalopy');

%plotting temperature and entropy
figure(2);
plot(temperature,S,'linewidth',3,'color','r');
title(species_name);
xlabel('temperature');
ylabel('entropy');

%plotting temperature and specific heat
figure(3);
plot(temperature,CP,'linewidth',3,'color','g');
title(species_name);
xlabel('temperature');
ylabel('specific heat');

folder_name=('species_name');
mkdir([folder_name]);

%saving the plots
figure_name1=sprintf([species_name,'enthalpy vs temperature.jpg']);
figure_name2=sprintf([species_name,'entropy vs temperature.jpg']);
figure_name3=sprintf([species_name,'specific heat vs temperature.jpg']);

folder_path1=fullfile(folder_name,figure_name1);
folder_path2=fullfile(folder_name,figure_name2);
folder_path3=fullfile(folder_name,figure_name3);

saveas(figure(1),folder_path1);
saveas(figure(2),folder_path2);       
saveas(figure(3),folder_path3);

folder_name=('species_name');
mkdir([folder_name])
cd()

MM = molecular_mass(species_name);
sprintf('%s species_name %s is %f',species_name,'molecular_mass',MM)
end    
fclose(F)

FUNCTION FOR CALCULATING MOLECULAR WEIGHT:

function MM=molecular_mass(species_name)
species=upper(species_name);
constituents=['H','C','N','O','Ar'];
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);
            p=j;
        end
    end
    n=str2num(species(i));
    if n>1
        MM=MM+(atomic_weight(p)*(n-1));
    end
    %sprintf('%s species_name %s is %f',species_name,'molecular_mass',MM)
end

PLOTS FOR N2: