Project 1 - Parsing NASA thermodynamic data

AIM :

1. 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.

2. 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.

THEORY :

Parsing: Parsing a file means reading in a data stream and building a memory model of the content of that data. This aims at facilitating perfoming some kind of transformation on the data. Parsing splits a file or other input into pieces of data that can be easily stored or manipulated.

DATA SOURCE :

Link to thermodynamic data file,

NASA thermodynamic data

FORMULAE USED :

MAIN code :

%writing code for file parsing

clear all

close all

clc

 

% here we are opening the file

% reading the header

F1=fopen('THERMO.dat','r')

first_line=fgetl(F1);

 

%defining the values for R which is gas constant

R=8.314;

 

% know taking tempreture from the file

% readingsecond line

% knowing and dividing the tempreture

% converting the string into number

temp=fgetl(F1);

A=strsplit(temp,' ');

 

% assigning the temperatures

globel_low_tempreture=str2num(A{2});

globel_middle_tempreture=str2num(A{3});

globel_high_tempreture=str2num(A{4});

 

% define the tempreture range

tempreture=linspace(globel_low_tempreture,globel_high_tempreture,globel_middle_tempreture);

 

%we have to skip the 3lines of comments

third_line=fgetl(F1);

fourth_line=fgetl(F1);

fifth_line=fgetl(F1);

 

%now running the the for loop for 53 different species

for i=1:53

 

%taking 1st species

sixth_line=fgetl(F1);

M=strsplit(sixth_line,' ');

species_name=M{1};

 

%know finding the coefficents from the 1st line of the taken species

sixth_line_one=fgetl(F1);

a=findstr(sixth_line_one,'E');

 

%there fore we have 5 coefficents in our 1st line so we have to find the 5 coefficents

a1=sixth_line_one(1:a(1)+3);

a1=str2num(a1);

a2=sixth_line_one(a(1)+4:a(2)+3);

a2=str2num(a2);

a3=sixth_line_one(a(2)+4:a(3)+3);

a3=str2num(a3)

a4=sixth_line_one(a(3)+4:a(4)+3);

a4=str2num(a4);

a5=sixth_line_one(a(4)+4:a(5)+3);

a5=str2num(a5);

 

% we have to move to next line for further coefficents here we have 5 coefficents

sixth_line_sec=fgetl(F1)

a=findstr(sixth_line_sec,'E')

a6=sixth_line_sec(1:a(1)+3);

a6=str2num(a6);

a7=sixth_line_sec(a(1)+4:a(2)+3);

a7=str2num(a7);

a8=sixth_line_sec(a(2)+4:a(3)+3);

a8=str2num(a8)

a9=sixth_line_sec(a(3)+4:a(4)+3);

a9=str2num(a9);

a10=sixth_line_sec(a(4)+4:a(5)+3);

a10=str2num(a10);

 

% we have to move to next line for further coefficents here we have 5 coefficents

sixth_line_third=fgetl(F1)

a=findstr(sixth_line_sec,'E')

a11=sixth_line_sec(1:a(1)+3);

a11=str2num(a11);

a12=sixth_line_sec(a(1)+4:a(2)+3);

a12=str2num(a12);

a13=sixth_line_sec(a(2)+4:a(3)+3);

a13=str2num(a13)

a14=sixth_line_sec(a(3)+4:a(4)+3);

a14=str2num(a14);

 

%know we have to find the entropy enthalpy and specific heat

 

% calling the function for entropy

A=entropy(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,tempreture,globel_middle_tempreture,R);

 

% calling the function for enthalphy

B=enthalphy(a1,a2,a3,a4,a5,a6,a8,a9,a10,a11,a12,a13,tempreture,globel_middle_tempreture,R)

 

%calling the function for specific heat

C=speciofic_heat(a1,a2,a3,a4,a5,a8,a9,a10,a11,a12,tempreture,globel_middle_tempreture,R)

 

% calling the function for moleculer weigth

molecular_w(i) = molecular_weight(species_name)

 

%writting the moleculer weight into a file

molecular_weight_of_the_species=fopen('molecular_weight.txt','w');

fprintf(molecular_weight_of_the_species,'molecular weight of the %s is %f \n',species_name,molecular_w);

fclose( molecular_weight_of_the_species)

 

% making a file directory

derectory_curr=pwd;

mkdir(species_name);

cd(species_name);

 

%plotting

 

%tempreture vs entropy

figure(1)

plot(tempreture,A,'color','r',LineWidth=2)

xlabel('tempreturess')

ylabel('entropys')

grid on

title(sprintf('variation in entropy wrt tempreture in %s',species_name))

saveas(figure(1),'entrogy.jpg')

 

%tempreture vs enthalpy

figure(2)

plot(tempreture,B,'color','b',LineWidth=2)

xlabel('tempreture')

ylabel('enthalpy')

grid on

title(sprintf('variation in enthalpy wrt tempreture in %s',species_name))

saveas(figure(2),'enthalpy.jpg')

 

%tempreture vs specific heat

figure(3)

plot(tempreture,C,'color','k',LineWidth=2)

xlabel('tempreture')

ylabel('specific_heat')

grid on

title(sprintf('variation in specific heat wrt tempreture in %s',species_name))

saveas(figure(3),'specificheat.jpg')

cd(derectory_curr)

 

% end the loop

end

 

 

Function Molecular Weight code :

 

function molecular_w = molecular_weight(species_name)

%creating array of elements

key_possion=['O','H','C','N','A']

%storing the atomic mass into an array

compounds_value= [15.999,1.008,12.011,14.007,39.948];

molecular_w= 0;

%creating the loop

for i = 1:length(species_name)

for j = 1:length(key_possion)

if strcmp(species_name(i),key_possion(j))

%if above statement is truw then calculate

molecular_w= molecular_w+compounds_value(j);

poss = j;

end

end

%converting the string into the number

K= str2num(species_name(i));

%comparing if the value for K is greter then excicuted the further

%statements

if (K>1)

molecular_w = molecular_w+compounds_value(j)*(K-1);

end

fprintf('molecular weight of the species %s',species_name)

fprintf('%f',molecular_w)

disp(' ')

end

 

Function Entropy code :

 

% writting the function for entropy

function [A]=entropy(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,tempreture,globel_middel_temp,R)

%as mensioned in the question 1st 7 coeeficents are high temp and secound 7

%coefficents are low tempreture

% creating loop to divede this cofficents

if (tempreture>=globel_middel_temp)

A=R*(a1.*log(tempretur)+a2.*(tempreture)+(a3.*(tempreture).^2/2)+(a4.*(tempreture.^3)/3)+(a5.*(tempreture).^4/4)+a7);

else

A=R.*(a8.*log(tempreture)+a9.*(tempreture)+(a10.*(tempreture).^2/2)+(a11.*(tempreture.^3)/3)+(a12.*(tempreture).^4/4)+a14);

end

end

 

Function Enthalpy code :

 

% writting the function for enthalphy

function [B]=enthalphy(a1,a2,a3,a4,a5,a6,a8,a9,a10,a11,a12,a13,tempreture,globel_middel_temp,R)

%as mensioned in the question 1st 7 coeeficents are high temp and secound 7

%coefficents are low tempreture

% creating loop to divede this cofficents

if (tempreture>=globel_middel_temp)

B=R.*tempreture.*(a1+(a2.*tempreture/2)+(a3.*(tempreture).^2/3)+(a4.*(tempreture).^3/4)+(a5.*(tempreture).^4/5)+(a6.*(tempreture).^5/6));

else

B=R.*tempreture.*(a8+(a9.*tempreture/2)+(a10.*(tempreture).^2/3)+(a11.*(tempreture).^3/4)+(a12.*(tempreture).^4/5)+(a13.*(tempreture).^5/6));

end

end

 

Function Specific Heat code :

 

% writting the function for enthalphy

function [C]=speciofic_heat(a1,a2,a3,a4,a5,a8,a9,a10,a11,a12,tempreture,globel_middel_temp,R)

 

%as mensioned in the question 1st 7 coeeficents are high temp and secound 7

%coefficents are low tempreture

% creating loop to divede this cofficents

if (tempreture>=globel_middel_temp)

C=R.*(a1+(a2.*(tempreture))+(a3.*(tempreture).^2)+(a4.*(tempreture).^3)+(a5.*(tempreture).^4));

else

C=R.*(a8+(a9.*(tempreture))+(a10.*(tempreture).^2)+(a11.*(tempreture).^3)+(a12.*(tempreture).^4));

end

end

 

Result :

 

The plots are saved with there respecive species folders

The molecular wieght is also saved and dispalyed in the command window

 

Some of the plots with species

 

1. O

 

2. OH