Challenge

Project 1 - Parsing NASA thermodynamic data

PPoojith Gowda19 Apr 2022

MATLAB

OBJECTIVE :

MATLAB PROGRAMM TO FULLFILL THE FALLOWING OBJECTIVES

Writing a code in matlab to parse to NASA Thermodynamic data file ,
Writing a function that extracts the 14 co-efficients and calculates the enthalpy, entropy and specific heats for all the species in the data file
Calculating the molecular weight of each species and display it in the command window.
Ploting the Cp, Enthalpy and Entropy for the local temperature range (low temperature : high temperature) specific for each species.
Plot the Cp, Enthalpy and Entropy for the local temperature range (low temperature : high temperature) specific for each species.

%%PARCING THERMO DYNAMIC DATA PRGRAM DETAILS

clear all
close all
clc

file=fopen('THERMO.dat','r') % Opening the thermo file to read. here file is sclar matlab integer

%%Heading
line1=fgetl(file); %Assingning the heading to the line 1.fgetl() returns to the new line

%global temperature values
line2=fgetl(file); %Assinginfg the global temperature values to line 2.fgetl() returns to the new line

%Next three lines are comments

des_1=fgetl(file); % Assigning the next line to des_1
des_2=fgetl(file);% Assigning the next line to des_3
des_3=fgetl(file);% Assigning the next line to des_3

%Assigning the global temperature

A=strsplit(line2,' '); %splitting the line 2 using the space charector as a delimeter

Global_low_temperature=str2num(A{2});%Assigning the global low temperature from the array A as a number
Global_mid_temperature=str2num(A{3});%Assigning the global low temperature from the array A as a number
Global_high_temperature=str2num(A{4});%Assigning the global low temperature from the array A as a number

for i=1:53 % Runnig the for loop for every molecule
species=fgetl(file) % Assigning the molecule data's first line from the line to species

species_name=species(1:6) % Assigning the molecule data's first line from the line to species

%Local temperature values for each molecule

B=strsplit(species,' ') % Splitting the species using the space charector as a delimeter

local_low_temperature=str2num(B{end -3}); % Assigning the local low temperature from array B as a number
local_high_temperature=str2num(B{end -2});% Assigning the local low temperature from array B as a number
local_mid_temperature=str2num(B{end -1});% Assigning the local low temperature from array B as a number

line_1=fgetl(file); %Assigning the molecule data's 2nd line from the line 2 line 1
L1=strfind(line_1,'E'); % finding the 'E' in the line 1 to differentiate the data.

% Assigning the high temperature co efficients
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); % Assigning the molecule data's3rd line from the file to line 2
L2=strfind(line_2,'E'); % Finding the letter 'E' in the line 2 ,to differenciate the data

c6=str2num(line_2(1:(L2(1)+3)));
c7=str2num(line_2((L2(1)+4):(L2(2)+3)));

% Assigning the low temperature co efficient
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)));

line3=fgetl(file); % Assigning the data's 4th line from the file to line 3
L3=strfind(line_3,'E'); %Finding the letter 'E' in the line 3

% Assigning the low temperature co efficient
c11=str2num(line_3(1:(L3(1)+3)));
c12=str2num(line_3((L2(1)+4):(L3(2)+3)));
c13=str2num(line_3((L2(2)+4):(L3(3)+3)));
c14 = str2num(line_3((L2(3)+4):(L3(4)+3)));

% Creating a folder for each species
mkdir(['C:usersUSERonedrivedocumentsMATLABFILE PARSING OF NASA THERMODYNAMIC DATASspecies',species_name]);

%Temperature ranges assumed for the calculation
Temperature=linspace(local_low_temperature,local_high_temperature,100);

%universal gas constant
R=8.314;

for j=1:lenght(temperature) % Running a for loop for every temperature

%When temperature is below the middle temperature values
if temperature(j)
end
end
end

MATLAB CODE FOR MOLECULAR MASS FUNCTION

function MM = molecular_mass(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)) % camparing ith charof species with jth char of constituents
MM=MM+Automic_weight(j); %calculating molecular mass by simulation
U=j;% Assigning the j value in U variabl
end % ending the if statement
end
% Claculating the molecular mass when their is one atom is present of
% the same type
n=str2num(species(i)); % Coverting ith char of species to number
if n>1 %when n is greater then i
MM=MM+Automic_weight(u)*(n-1); %calculating molecular mass by simulation
end
end

............

EXPLANATION OF THE MATLAB CODES

FIRST WE OPEN THE THERMO.dat FILE TO READ
READ THE HEDDING ,GLOBAL TEMPERATURE AND NEXT 3 LINES
RUN A FOR LOOP FOR EVERY SPECIES
GET THE SPECIES NAME
GET THE LOCAL TEMPERATURE AND OFTER CONVERTING THEM INTO NUMBER WE ASSIGN VARIABLE
GET ALL 14 CO EFFICIENT BY USING strsplit(),
PLOT THE GRAPH T-S,T-H,& T-CP AND SAVE IN SPECIFIED FOLDER
CALCULATE THE MOLECULAR MASS CALLING THE MOLECULAR MASS FUNCTION
CLOSE THE FILE

ERROR RECEIVED WHILE PARCING THE PROGRAM.