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Project 1 - Parsing NASA thermodynamic data

MManishkumar Pandey12 Jun 2022
MATLAB
close all;
clear all;
clc;

%step:1
%opening the data file
data_thermo = fopen('THERMO (1).dat')
%Extrating Heading From First line
Header=fgetl(data_thermo);
%Moving to next line
A1=fgetl(data_thermo);
%extracting global temperation from that line
temp=strsplit(A1,' ');
Global_low_temp=str2num(temp{2});
Global_mid_temp=str2num(temp{3});
Global_high_temp=str2num(temp{4});


%step:2
%There are 3 comments in next 3 line. So we need Skip those lines
for i=1:3
    fgetl(data_thermo);
end

%step:3
%moving to Next line
A2=fgetl(data_thermo);
%searching to get location of local temperature
a=strfind(A2,'G');
temp=strsplit(A2(a+1:end-1),' ');
local_low_temp=str2num(temp{2});
local_mid_temp=str2num(temp{3});
local_high_temp=str2num(temp{4});
Temp_range=linspace(local_low_temp,local_high_temp,200)

%STEP:4
%creating a new folder
mkdir parsing_data

%STEP:5
%for-loop is to extract all the data of 53 compound
for j=1:53
    %name of compound at begining of line command strtok to get first
    %string 
    species=strtok(A2);

    %moving inside the folder parsing_data
    cd parsing_data;
    %creating new folder named species
    mkdir(species);
    %moing inside the time species folder
    cd(species);
    

    %pointer to next 3 lines
    A3=fgetl(data_thermo);
    A4=fgetl(data_thermo);
    A5=fgetl(data_thermo);

    %'E' is present in all data. so searching the location of E and with
    %its reference location is provied
    a=strfind(A3,'E');
    b=strfind(A4,'E');
    c=strfind(A5,'E');


    %step:6
    %High temperature coefficient
    a1=str2num(A3(1:a(1)+3));
    a2=str2num(A3(a(1)+4:a(2)+3));
    a3=str2num(A3(a(2)+4:a(3)+3));
    a4=str2num(A3(a(3)+4:a(4)+3));
    a5=str2num(A3(a(4)+4:a(5)+3));
    a6=str2num(A4(1:b(1)+3));
    a7=str2num(A4(b(1)+4:b(2)+3));

    %low temperature coeff
    b1=str2num(A4(b(2)+4:b(3)+3));
    b2=str2num(A4(b(3)+4:b(4)+3));
    b3=str2num(A4(b(4)+4:b(5)+3));
    b4=str2num(A5(1:c(1)+3));
    b5=str2num(A5(c(1)+4:c(2)+3));
    b6=str2num(A5(c(2)+4:c(3)+3));
    b7=str2num(A5(c(3)+4:c(4)+3));

    %step 7
    %calling fuction to calculate specific heat , Enthalpy and Entropy
    [cp,enthalpy,entropy]=species_heat(a1,a2,a3,a4,a5,a6,a7,b1,b2,b3,b4,b5,b6,b7,Temp_range);

    %calling function to calculate molecular weight of compound
    weight=molecular_weight(species);
    display(weight,species);

    %step8
    %ploting figure and saving in JPEG format
    figure(1)
    plot(Temp_range,cp,'Color','r','LineWidth',3);
    xlabel('Temperature');
    ylabel('Specific heat');
    saveas(1,'specific heat vs Temperature.jpg');


    figure(2)
    plot(Temp_range,enthalpy,'Color','g','lineWidth',3);
    xlabel('Temperature');
    ylabel('Enthalpy');
    saveas(2,'Enthalpy vs Temperature.jpg');

    figure(3)
    plot(Temp_range,entropy,"Color",'m','LineWidth',3);
    xlabel('Temperature');
    ylabel('Entropy');
    saveas(3,'Entropy vs Temperature.jpg');

    %step:9
    %moving to folder Matlab i.e. Foldr inside which folder parsing_data
    %is
    cd('C:\Users\91976\Documents\MATLAB');
    %moving to next line
    A2=fgetl(data_thermo);
end



specific heat :

function[cp,enthalpy,entropy]=species_heat(a1,a2,a3,a4,a5,a6,a7,b1,b2,b3,b4,b5,b6,b7,Temp_range)
R=8.3145;
T=Temp_range;
if Temp_range<200
    cp=[a1+a2.*(T)+a3.*(T.^2)+a4.*(T.^3)+a5.*(T.^4)]*R;
    enthalpy=[a1+a2.*(T./2)+a3.*(T.^2)./3+a4.(T.^3)./4+a5.*(T.^4)./5+a6./T]*R.*T;
    entropy=[a1*log(T)+a2.*(T)+a3.*(T.^2)./2+a4.*(T.^3)./3+a5.*(T.^4)./4+a7]*R;
else
    cp=[b1+b2.*(T)+b3.*(T.^2)+b4.*(T.^3)+b5.*(T.^4)]*R;
    enthalpy=[b1+b2.*(T./2)+b3.*(T.^2)./3+b4*(T.^3)./4+b5.*(T.^4)./5+b6./T]*R.*T;
    entropy=[b1.*log(T)+b2.*(T)+b3.*(T.^2)./2+b4.*(T.^3)./3+b5.*(T.^4)./4+a7]*R;
end



molecular weight : 


function[Wt]=molecular_weight(A)
atom=['C','H','O','N'];
mass=[12 1 16 14];
Wt=0;
for i=1:length(A)
    for j=1:length(atom)
        if A(i)==atom(j)
            Wt=Wt+mass(j);
            z=j;
        end

    end
    b=str2num(A(i));
    
    if isempty(b)==1
        ;
    else
        Wt=Wt+(b-1)*mass(z);
    end
end

report :

AIM : File parsing nasa data.

File parsing refers to how information can be read or extreacted from a particular file and how that information can be used in a computer program .with the help of file parsing we can read data from external files and databases and we use use that information or data in our calculations.

Here in this project we will be using the concept of data parsing to extract the coefficients from a text file . with the help of these coefficients the thermodynamic properties such specific heat [CP] enthalpy [H] and entropy [S] will be evaluated for different species given the fille .

Certain formulae will be used to calculate these thermodynamic properties which are as follows

CP/R=a1+a2*T+a3*T^2+a4*T^3+a5*T^4

H/R=a1+a2*T/2+a3*T^2/3+a4*T^3/4+a5*T^4/5+a6/T

S/R=a1*inT+a2*T+a3*T^2/2+a4*T^3

Code :

close all;

clear all;

clc;

%step:1

%opening the data file

data_thermo = fopen('THERMO (1).dat')

%Extrating Heading From First line

Header=fgetl(data_thermo);

%Moving to next line

A1=fgetl(data_thermo);

%extracting global temperation from that line

temp=strsplit(A1,' ');

Global_low_temp=str2num(temp{2});

Global_mid_temp=str2num(temp{3});

Global_high_temp=str2num(temp{4});

%step:2

%There are 3 comments in next 3 line. So we need Skip those lines

for i=1:3

fgetl(data_thermo);

end

%step:3

%moving to Next line

A2=fgetl(data_thermo);

%searching to get location of local temperature

a=strfind(A2,'G');

temp=strsplit(A2(a+1:end-1),' ');

local_low_temp=str2num(temp{2});

local_mid_temp=str2num(temp{3});

local_high_temp=str2num(temp{4});

Temp_range=linspace(local_low_temp,local_high_temp,200)

%STEP:4

%creating a new folder

mkdir parsing_data

%STEP:5

%for-loop is to extract all the data of 53 compound

for j=1:53

%name of compound at begining of line command strtok to get first

%string

species=strtok(A2);

%moving inside the folder parsing_data

cd parsing_data;

%creating new folder named species

mkdir(species);

%moing inside the time species folder

cd(species);

%pointer to next 3 lines

A3=fgetl(data_thermo);

A4=fgetl(data_thermo);

A5=fgetl(data_thermo);

%'E' is present in all data. so searching the location of E and with

%its reference location is provied

a=strfind(A3,'E');

b=strfind(A4,'E');

c=strfind(A5,'E');

%step:6

%High temperature coefficient

a1=str2num(A3(1:a(1)+3));

a2=str2num(A3(a(1)+4:a(2)+3));

a3=str2num(A3(a(2)+4:a(3)+3));

a4=str2num(A3(a(3)+4:a(4)+3));

a5=str2num(A3(a(4)+4:a(5)+3));

a6=str2num(A4(1:b(1)+3));

a7=str2num(A4(b(1)+4:b(2)+3));

%low temperature coeff

b1=str2num(A4(b(2)+4:b(3)+3));

b2=str2num(A4(b(3)+4:b(4)+3));

b3=str2num(A4(b(4)+4:b(5)+3));

b4=str2num(A5(1:c(1)+3));

b5=str2num(A5(c(1)+4:c(2)+3));

b6=str2num(A5(c(2)+4:c(3)+3));

b7=str2num(A5(c(3)+4:c(4)+3));

%step 7

%calling fuction to calculate specific heat , Enthalpy and Entropy

[cp,enthalpy,entropy]=species_heat(a1,a2,a3,a4,a5,a6,a7,b1,b2,b3,b4,b5,b6,b7,Temp_range);

%calling function to calculate molecular weight of compound

weight=molecular_weight(species);

display(weight,species);

%step8

%ploting figure and saving in JPEG format

figure(1)

plot(Temp_range,cp,'Color','r','LineWidth',3);

xlabel('Temperature');

ylabel('Specific heat');

saveas(1,'specific heat vs Temperature.jpg');

figure(2)

plot(Temp_range,enthalpy,'Color','g','lineWidth',3);

xlabel('Temperature');

ylabel('Enthalpy');

saveas(2,'Enthalpy vs Temperature.jpg');

figure(3)

plot(Temp_range,entropy,"Color",'m','LineWidth',3);

xlabel('Temperature');

ylabel('Entropy');

saveas(3,'Entropy vs Temperature.jpg');

%step:9

%moving to folder Matlab i.e. Foldr inside which folder parsing_data

%is

cd('C:\Users\91976\Documents\MATLAB');

%moving to next line

A2=fgetl(data_thermo);

end

specific heat function :

function[cp,enthalpy,entropy]=species_heat(a1,a2,a3,a4,a5,a6,a7,b1,b2,b3,b4,b5,b6,b7,Temp_range)

R=8.3145;

T=Temp_range;

if Temp_range<200

cp=[a1+a2.*(T)+a3.*(T.^2)+a4.*(T.^3)+a5.*(T.^4)]*R;

enthalpy=[a1+a2.*(T./2)+a3.*(T.^2)./3+a4.(T.^3)./4+a5.*(T.^4)./5+a6./T]*R.*T;

entropy=[a1*log(T)+a2.*(T)+a3.*(T.^2)./2+a4.*(T.^3)./3+a5.*(T.^4)./4+a7]*R;

else

cp=[b1+b2.*(T)+b3.*(T.^2)+b4.*(T.^3)+b5.*(T.^4)]*R;

enthalpy=[b1+b2.*(T./2)+b3.*(T.^2)./3+b4*(T.^3)./4+b5.*(T.^4)./5+b6./T]*R.*T;

entropy=[b1.*log(T)+b2.*(T)+b3.*(T.^2)./2+b4.*(T.^3)./3+b5.*(T.^4)./4+a7]*R;

end

molecular function :

function[Wt]=molecular_weight(A)

atom=['C','H','O','N'];

mass=[12 1 16 14];

Wt=0;

for i=1:length(A)

for j=1:length(atom)

if A(i)==atom(j)

Wt=Wt+mass(j);

z=j;

end

end

b=str2num(A(i));

if isempty(b)==1

;

else

Wt=Wt+(b-1)*mass(z);

end

end

Explainatoin of code

STEP 1

The code Is opening the data file using command open and it is going to first line of page i.e header using command get . it is extracting the header of fille from first line .then moving to next line extracting it this line contain global temperature in string from. Command strsplit is used to extract different temperature separated by white space and then it is converted into number using str2num command

STEP 2

Next three line are comment so; those lines are skipped

STEP 3

The is moving to next line and finding “G” using command strfind because local high low and mid temperature is just after G the code is extracting those temperature the code also creating array of temperature from local low temperature to local high temperature

STEP 4

The code is crating new folder parsing data using command mkdir

STEP 5

Since there are 53 compound in the fille a loop is run strtok command is used to extract first string of the line which is species name I.e name of compound . the code creates a folder by name of compound and movies inside it. The code moves to next three lines using different variable and search for ‘E’ because every contains it. Once we the code know the index of ‘E’ the rest of data can be extracted using suitable index .

STEP 6

All the coefficient of are extracted using suitable index and then converted from string to number.

STEP 7

Functions for the calculation of specitic heat enthalpy entropy and molecular weight are called

STEP 8

Graph is piotted for specific heat enthalpy and entropy against temperature range and and saved in particular species folder in JEPG format.

Results & conclusion :

Hence these are the final results & charts of the program.

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