Challenge

Project 1 - Parsing NASA thermodynamic data

RRajan Singh Rawat6 Sept 2023

Aim: To write a code in Matlab to parse the NASA thermodynamic data file and then calculate the thermodynamic properties of various gas speices.

Objective:

To write a function that extracts the 14 coefficients and calculates the enthalpy, entropy and specific heats for all speices in the NASA thermodynamic data file "Thermo.dat".

The NASA polynomials have the form as shown below:

where R is the universal gas constant, T is the temprature.

2.To calculate the molecular weight of each speices and display it in the command window.
3.To plot the Cp, enthalpy and entropy for the local temperature range (low temprature: high temprature) specific for each speicies.

4.To save the plots as images with suitable name automatically.

file parsing:

File parsing refers to how information can be read from a paricular text file or any type of file and how that information can be used in a computer program.

Step 1- Define the function.
Step 2- Create an Inputparser object.
Step 3- Add inputs to the scheme.
Step 4- Set properties to adjust prsing.
Step 5- Parse the inputs.
Step 6- Use the inputs in function.
Step 7- Calling function.

NASA Thermodynamic file

Thermo.dat file is a data file containing 14 coefficients for 53 different elements given by NASA. These coefficients are utilized to calculate the specific heat enthalpy and entropy for a particular element. Each element has its own range of local temprature. Below screenshot of the Thermo.dat file is displayed.

Enthalpy, Entropy and Specific heat:

Enthalpy,entropy and specific heat, of various species values at different tempratures are required extensively to analyze the thermodynamic process.

For example, if the combustion process is considered during this, these quantities are required to observe how the combustion is going on and how efficient it will be. It eventually allows seeking the scope of improvement in the process. Similarily in other processes like refrigration,air conditioning,chemical kinetics,nozzle flow,detonation process,etc. these quantities are widely involved to obseve the phenomenon.

NASA came up with polynomials for 1000+ species.

The NASA polynomials have the form :

where R is universal gas constant, T is the temprature and a1,a2,a3,a4,a5,a6 and a7 are the numerical coefficients supplied in the thermodynamic file. The First 7 coefficients are High- temprature coefficients (above 1000 k) and the second 7 coefficients are Low - temprature coefficients (below 1000 k).

Coding functions:

Specific Heat:

It is the amount of energy that must be added, in the form of heat, to one unit of mass of the substance in order to cause an increase of one unit in its temprature.

Cp = (a1 + a2T + a3T^2 +a4T^3 + a5T^4)*R

Function for specific heat

% Specific heat calculation function

function Cp = Specificheat_func(a1,a2,a3,a4,a5,a8,a9,a10,a11,a12,Temp,R,global_medium_temp)

% comparing with global temprature

% If less than global temprature- minimum coefficients are taken

if Temp <= global_medium_temp

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

else

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

%Else maximum coefficients are taken

end

2. Entropy:

Entropy, the measure of a systems thermal energy per unit temperature that is unavailable for doing useful work. Because work is obtained from ordered molecular motion, the amount of entropy is also a measure of the molecular disorder, or randomness, of a system.

The concept of entropy provides deep insight into direction of spontaneous change for many everyday phenomena.

S = (a1lnT + a2T + a3^T/2 + a4T^3/3 +a5T^4/4 +a7)*R

Function for Entropy:

% Entropy Calculation Function

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function S = Entropy_calc(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,Temp,R,global_medium_temp)

% Comparing with global temprature

% If less than global temprature - minimum coefficients are taken

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if Temp <= global_medium_temp

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

else

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% Else - maximum coefficients are taken

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

end

3.Enthalpy

Enthalpy, a property of a thermodynamic system, is equal to the system's internal energy plus the product of its pressure and volume. In a system enclosed so as to prevent the mass transfer, for processes at constant pressure , the heat absorbed or released equals the change in enthalpy.

H = (a1 + a2T/2 +a3T^2/3 + a4T^3/4 + a5T^4/5 + a6/T)*R*T

Function for enthalpy:

%Enthalpy Calculation Function

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function H = Enthalpy(a1,a2,a3,a4,a5,a6,a8,a9,a10,a11,a12,a13,Temp,R,global_medium_temp)

% Comparing with global temprature

% If less than global temperature - minimum coefficients are taken

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if Temp<=global_medium_temp

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

else

% Else maximum coefficients are taken

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

end

4. Molecular weight:

The molecular mass is the masss of a given molecule: it is measured in daltons. Different molecules of the same compound may have have different molecular masses because they contain different isotopes of an element.

Function for molecular weight:

% molecular weight calculation

function Molecularweight = Molecular_weight(Species_SP)

% Standard - Atomic Name

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

% Hydrogen,Carbon ,Oxygen,Nitrogen,Argon

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fprintf('Molecular Weight of')

fprintf(Species_SP)

fprintf(' : ');

%standared atomic no.

Atomic_weight = [1.008 12.011 15.999 14.007 39.948];

% Starting Range of molecule

Molecularweight=0;

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�ding Atomic number to obtain particular value

for i = 1:length(Species_SP)

for j = 1:length(atomic_name)

if strcmpi(Species_SP(i),atomic_name(j))

Molecularweight = Molecularweight +Atomic_weight(j);

position = j;

end

n = str2num(Species_SP(i));

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if n>1

Molecularweight = Molecularweight + Atomic_weight(position)*(n-1);

end

fprintf('molecular weight %s :',Species_SP);

fprintf('%d',Molecularweight);

disp(' ');

end

Main Code:

clear all

close all

clc

%make directory

mkdir 'C:\Users\hp\Desktop\Matlab Challenges'

% Reading Data file- NASA Thermodynamic

% Open a file and 'r' open the file for reading

f1=fopen('THERMO.DAT','r')

gt=fgetl(f1);

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% Obtaining Tempratures- by reading header information

global_temp=fgetl(f1);

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% Spliting

t=strsplit(global_temp);

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%Converting string cells to numbers using str2num,

global_low_temp=str2num(t{2});

global_medium_temp=str2num(t{3});

global_high_temp=str2num(t{4});

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% Temprature range & Gas constant

%Temprature Range assumed

Temp=linspace(global_low_temp,global_high_temp,1000);

%Universal Gas Constant J/(mol-k)

R=8.314;

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%skipping three comment lines in the file

for i = 1:3

gt=fgetl(f1);

end

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for i=1:53

gt=fgetl(f1);

A=strsplit(gt,'');

Species_SP=(A{1});

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line_1=fgetl(f1);

a=strfind(line_1,'E');

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% Extracting higher and lower tempratures coefficients

% % Extracting FIRST 7 coefficients i.e HIGH-temprature coefficients

a1=line_1(1:a(1)+3);

a1=str2num(a1); %1

a2=line_1(a(1)+4:a(2)+3);

a2=str2num(a2); %2

a3=line_1(a(2)+4:a(3)+3);

a3=str2num(a3); %3

a4=line_1(a(3)+4:a(4)+3);

a4=str2num(a4); %4

a5=line_1(a(4)+4:a(5)+3);

a5=str2num(a5) ; %5

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line_2=fgetl(f1);

b=strfind(line_1,'E');

a6=line_2(1:b(1)+3);

a6=str2num(a6); %6

a7=line_2(a(1)+4:b(2)+3);

a7=str2num(a7); %7

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%Extracgting SECOND 7 coefficients - LOW-temprature coefficients

a8=line_2(b(2)+4:b(3)+3);

a8=str2num(a8); %8

a9=line_2(b(3)+4:b(4)+3)

a9=str2num(a9); %9

a10=line_2(b(4)+4:b(5)+3);

a10=str2num(a10);

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line_3=fgetl(f1);

c=strfind(line_1,'E');

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a11=line_3(1:c(1)+3);

a11=str2num(a11);

a12=line_3(c(1)+4:c(2)+3);

a12=str2num(a12);

a13=line_3(c(2)+4:c(3)+3);

a13=str2num(a13);

a14=line_3(c(3)+4:c(4)+3);

a14=str2num(a14);

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<![endif]-->

%Specific heat calculation

Cp=Specificheat_func(a1,a2,a3,a4,a5,a8,a9,a10,a11,a12,Temp,R,global_medium_temp);

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<![endif]-->

%Enthalpy calculation

H=Enthalpy(a1,a2,a3,a4,a5,a6,a8,a9,a10,a11,a12,a13,Temp,R,global_medium_temp);

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<![endif]-->

%Entropy calculation

S=Entropy_calc(a1,a2,a3,a4,a5,a7,a8,a9,a10,a11,a12,a14,Temp,R,global_medium_temp);

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�lculating Molecular weight of speices

Molecularweight(i) = Molecular_weight(Species_SP);

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%Read & write molecular list

Molecular_list = fopen('Molecular weight.txt','a+');

fprintf(Molecular_list,'Molecular weight of %s is %d \n',Species_SP,Molecularweight);

fclose(Molecular_list);

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%plotting(CP,H,S,Temp,Speices_SP)

%Saving as a folder

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cur_dir=pwd;

mkdir(Species_SP);

cd(Species_SP);

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%Plot 1, Specific heat(CP) vs Temprature Range (Temp)

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figure(1)

plot(Temp,Cp,'linewidth',2,'color','r');

xlabel('Temperature[K]');

ylabel('Specific Heat [kJ]');

title(sprintf('Varying Specific Heat with Temprature Range of %s',Species_SP));

grid on

saveas(figure(1),'Specific Heat.jpg');

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<![endif]-->

%Plot 2, Enthalpy(H) vs Temprature Range (Temp)

figure(2)

plot(Temp,H,'linewidth',2,'color','g');

xlabel('Temperature[K]');

ylabel('Enthalpy in [kJ/(mol)]');

title(sprintf('Varying Enthalpy with Temperature Range of %s',Species_SP));

grid on

saveas(figure(2),'Enthalpy.jpg');

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<![endif]-->

%Plot 3,Entropy (S) vs Temprature Range (Temp)

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<![endif]-->

figure(3)

plot(Temp,S,'linewidth',2,'color','b');

xlabel('Temperature[K]');

ylabel('Entropy in [kJ/(mol-K)]');

title(sprintf('Varying Entropy with Temperature Range of %s',Species_SP));

grid on

saveas(figure(3),'Entropy.jpg');

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<![endif]-->

cd(cur_dir);

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<![endif]-->

%Molecular weight

M = Molecular_weight(Species_SP)

f2 = fopen('molecular mass','w');

fprintf('%s n %s n %f n', 'species','Molecular mass',M)

fclose(f2)

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<![endif]-->

end

Code explaination:

1.'clear all'- clear all the variables in the workspace.

'close all'- closes all the plots and figures and

'clc'- clears the command window.

2. Making a directory using 'mkdir' with location address.

3. After that, reading the text file 'Thermo.dat' file and opening it by using 'fopen' and 'r' as reading command.

4. For reading the line in a text file using 'fgetl'.

5. To obtain the temprature range from the Thermo.dat file, using 'strsplit' to split the temprature into particular string cell.

6. Used 'str2num' for converting string cell to numbers.

7. Divided the temprature into a string and then converted to a number so that temprature values can be used seprately to solve the NASA thermodynamics.

8.Using 'for&end' loops to skip the next three comment lines in the text file.

9. Reading all the 53 speices to plot specific hest (Cp), enthalpy (H), and entropy(S), with temprature values, and to find molecular weights.

10. Used 'for' loop to read 53 speices.

11. Used 'strfind' to find string.

12. Using 'linspace' specified the temprature range from low to high.

13. Adding universal gas constant value 'R'.

14. Extracted higher and lower temprature coefficient by reading line by line from the speices.

15. Calling specific heat,enthalpy, entropy function codes.

16. Calculating Molecular weight.

Syntax used during coding

Fopen: Open a file or obtain information about open files

'r' : Open the file for reading

fgetl : Read line from file

strsplit : Convert character array or string to numeric array.

strfind: Find one string within another

linspace: Generate linearly spaced vectors.

fprintf: Write formatted data to file

pwd: Identify the current directory

mkdir: Make a new directory

cd: change working directory

Output:

Warning: Directory already exists.
> In project1 (line 5)

f1 =

a9 =

'-3.27931884E-03'

Molecular Weight ofO L 1/90O 1 G 200.000 3500.000 1000.000 1 : molecular weight O L 1/90O 1 G 200.000 3500.000 1000.000 1 :2.719830e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofO L 1/90O 1 G 200.000 3500.000 1000.000 1 : molecular weight O L 1/90O 1 G 200.000 3500.000 1000.000 1 :2.719830e+02

M =

271.9830

species n Molecular mass n 271.983000 n
ans =

a9 =

'-2.99673416E-03'

Molecular Weight ofO2 TPIS89O 2 G 200.000 3500.000 1000.000 1 : molecular weight O2 TPIS89O 2 G 200.000 3500.000 1000.000 1 :4.159740e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofO2 TPIS89O 2 G 200.000 3500.000 1000.000 1 : molecular weight O2 TPIS89O 2 G 200.000 3500.000 1000.000 1 :4.159740e+02

M =

415.9740

species n Molecular mass n 415.974000 n
ans =

a9 =

' 7.05332819E-13'

Molecular Weight ofH L 7/88H 1 G 200.000 3500.000 1000.000 1 : molecular weight H L 7/88H 1 G 200.000 3500.000 1000.000 1 :2.923200e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofH L 7/88H 1 G 200.000 3500.000 1000.000 1 : molecular weight H L 7/88H 1 G 200.000 3500.000 1000.000 1 :2.923200e+01

M =

29.2320

species n Molecular mass n 29.232000 n
ans =

a9 =

' 7.98052075E-03'

Molecular Weight ofH2 TPIS78H 2 G 200.000 3500.000 1000.000 1 : molecular weight H2 TPIS78H 2 G 200.000 3500.000 1000.000 1 :2.419200e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofH2 TPIS78H 2 G 200.000 3500.000 1000.000 1 : molecular weight H2 TPIS78H 2 G 200.000 3500.000 1000.000 1 :2.419200e+01

M =

24.1920

species n Molecular mass n 24.192000 n
ans =

a9 =

'-2.40131752E-03'

Molecular Weight ofOH RUS 78O 1H 1 G 200.000 3500.000 1000.000 1 : molecular weight OH RUS 78O 1H 1 G 200.000 3500.000 1000.000 1 :5.417400e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofOH RUS 78O 1H 1 G 200.000 3500.000 1000.000 1 : molecular weight OH RUS 78O 1H 1 G 200.000 3500.000 1000.000 1 :5.417400e+01

M =

54.1740

species n Molecular mass n 54.174000 n
ans =

a9 =

'-2.03643410E-03'

Molecular Weight ofH2O L 8/89H 2O 1 G 200.000 3500.000 1000.000 1 : molecular weight H2O L 8/89H 2O 1 G 200.000 3500.000 1000.000 1 :5.000010e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofH2O L 8/89H 2O 1 G 200.000 3500.000 1000.000 1 : molecular weight H2O L 8/89H 2O 1 G 200.000 3500.000 1000.000 1 :5.000010e+02

M =

500.0010

species n Molecular mass n 500.001000 n
ans =

a9 =

'-4.74912051E-03'

Molecular Weight ofHO2 L 5/89H 1O 2 G 200.000 3500.000 1000.000 1 : molecular weight HO2 L 5/89H 1O 2 G 200.000 3500.000 1000.000 1 :4.819860e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHO2 L 5/89H 1O 2 G 200.000 3500.000 1000.000 1 : molecular weight HO2 L 5/89H 1O 2 G 200.000 3500.000 1000.000 1 :4.819860e+02

M =

481.9860

species n Molecular mass n 481.986000 n
ans =

a9 =

'-5.42822417E-04'

Molecular Weight ofH2O2 L 7/88H 2O 2 G 200.000 3500.000 1000.000 1 : molecular weight H2O2 L 7/88H 2O 2 G 200.000 3500.000 1000.000 1 :5.000010e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofH2O2 L 7/88H 2O 2 G 200.000 3500.000 1000.000 1 : molecular weight H2O2 L 7/88H 2O 2 G 200.000 3500.000 1000.000 1 :5.000010e+02

M =

500.0010

species n Molecular mass n 500.001000 n
ans =

a9 =

'-3.21537724E-04'

Molecular Weight ofC L11/88C 1 G 200.000 3500.000 1000.000 1 : molecular weight C L11/88C 1 G 200.000 3500.000 1000.000 1 :2.762530e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC L11/88C 1 G 200.000 3500.000 1000.000 1 : molecular weight C L11/88C 1 G 200.000 3500.000 1000.000 1 :2.762530e+02

M =

276.2530

species n Molecular mass n 276.253000 n
ans =

a9 =

' 3.23835541E-04'

Molecular Weight ofCH TPIS79C 1H 1 G 200.000 3500.000 1000.000 1 : molecular weight CH TPIS79C 1H 1 G 200.000 3500.000 1000.000 1 :4.720600e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH TPIS79C 1H 1 G 200.000 3500.000 1000.000 1 : molecular weight CH TPIS79C 1H 1 G 200.000 3500.000 1000.000 1 :4.720600e+01

M =

47.2060

species n Molecular mass n 47.206000 n
ans =

a9 =

' 9.68872143E-04'

Molecular Weight ofCH2 L S/93C 1H 2 G 200.000 3500.000 1000.000 1 : molecular weight CH2 L S/93C 1H 2 G 200.000 3500.000 1000.000 1 :4.519000e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH2 L S/93C 1H 2 G 200.000 3500.000 1000.000 1 : molecular weight CH2 L S/93C 1H 2 G 200.000 3500.000 1000.000 1 :4.519000e+01

M =

45.1900

species n Molecular mass n 45.190000 n
ans =

a9 =

'-2.36661419E-03'

Molecular Weight ofCH2(S) L S/93C 1H 2 G 200.000 3500.000 1000.000 1 : molecular weight CH2(S) L S/93C 1H 2 G 200.000 3500.000 1000.000 1 :4.519000e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH2(S) L S/93C 1H 2 G 200.000 3500.000 1000.000 1 : molecular weight CH2(S) L S/93C 1H 2 G 200.000 3500.000 1000.000 1 :4.519000e+01

M =

45.1900

species n Molecular mass n 45.190000 n
ans =

a9 =

' 2.01095175E-03'

Molecular Weight ofCH3 L11/89C 1H 3 G 200.000 3500.000 1000.000 1 : molecular weight CH3 L11/89C 1H 3 G 200.000 3500.000 1000.000 1 :5.224600e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH3 L11/89C 1H 3 G 200.000 3500.000 1000.000 1 : molecular weight CH3 L11/89C 1H 3 G 200.000 3500.000 1000.000 1 :5.224600e+01

M =

52.2460

species n Molecular mass n 52.246000 n
ans =

a9 =

'-1.36709788E-02'

Molecular Weight ofCH4 L 8/88C 1H 4 G 200.000 3500.000 1000.000 1 : molecular weight CH4 L 8/88C 1H 4 G 200.000 3500.000 1000.000 1 :6.031000e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH4 L 8/88C 1H 4 G 200.000 3500.000 1000.000 1 : molecular weight CH4 L 8/88C 1H 4 G 200.000 3500.000 1000.000 1 :6.031000e+01

M =

60.3100

species n Molecular mass n 60.310000 n
ans =

a9 =

'-6.10353680E-04'

Molecular Weight ofCO TPIS79C 1O 1 G 200.000 3500.000 1000.000 1 : molecular weight CO TPIS79C 1O 1 G 200.000 3500.000 1000.000 1 :3.919990e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCO TPIS79C 1O 1 G 200.000 3500.000 1000.000 1 : molecular weight CO TPIS79C 1O 1 G 200.000 3500.000 1000.000 1 :3.919990e+02

M =

391.9990

species n Molecular mass n 391.999000 n
ans =

a9 =

' 8.98459677E-03'

Molecular Weight ofCO2 L 7/88C 1O 2 G 200.000 3500.000 1000.000 1 : molecular weight CO2 L 7/88C 1O 2 G 200.000 3500.000 1000.000 1 :5.199910e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCO2 L 7/88C 1O 2 G 200.000 3500.000 1000.000 1 : molecular weight CO2 L 7/88C 1O 2 G 200.000 3500.000 1000.000 1 :5.199910e+02

M =

519.9910

species n Molecular mass n 519.991000 n
ans =

a9 =

'-3.24392532E-03'

Molecular Weight ofHCO L12/89H 1C 1O 1 G 200.000 3500.000 1000.000 1 : molecular weight HCO L12/89H 1C 1O 1 G 200.000 3500.000 1000.000 1 :4.260130e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHCO L12/89H 1C 1O 1 G 200.000 3500.000 1000.000 1 : molecular weight HCO L12/89H 1C 1O 1 G 200.000 3500.000 1000.000 1 :4.260130e+02

M =

426.0130

species n Molecular mass n 426.013000 n
ans =

a9 =

'-9.90833369E-03'

Molecular Weight ofCH2O L 8/88H 2C 1O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH2O L 8/88H 2C 1O 1 G 200.000 3500.000 1000.000 1 :5.080240e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH2O L 8/88H 2C 1O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH2O L 8/88H 2C 1O 1 G 200.000 3500.000 1000.000 1 :5.080240e+02

M =

508.0240

species n Molecular mass n 508.024000 n
ans =

a9 =

' 5.59672304E-03'

Molecular Weight ofCH2OH GUNL93C 1H 3O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH2OH GUNL93C 1H 3O 1 G 200.000 3500.000 1000.000 1 :3.281380e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH2OH GUNL93C 1H 3O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH2OH GUNL93C 1H 3O 1 G 200.000 3500.000 1000.000 1 :3.281380e+02

M =

328.1380

species n Molecular mass n 328.138000 n
ans =

a9 =

' 0.07216595E-01'

Molecular Weight ofCH3O 121686C 1H 3O 1 G 300.00 3000.00 1000.000 1 : molecular weight CH3O 121686C 1H 3O 1 G 300.00 3000.00 1000.000 1 :4.140460e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH3O 121686C 1H 3O 1 G 300.00 3000.00 1000.000 1 : molecular weight CH3O 121686C 1H 3O 1 G 300.00 3000.00 1000.000 1 :4.140460e+02

M =

414.0460

species n Molecular mass n 414.046000 n
ans =

a9 =

'-1.52309129E-02'

Molecular Weight ofCH3OH L 8/88C 1H 4O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH3OH L 8/88C 1H 4O 1 G 200.000 3500.000 1000.000 1 :1.972450e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH3OH L 8/88C 1H 4O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH3OH L 8/88C 1H 4O 1 G 200.000 3500.000 1000.000 1 :1.972450e+02

M =

197.2450

species n Molecular mass n 197.245000 n
ans =

a9 =

' 1.34099611E-02'

Molecular Weight ofC2H L 1/91C 2H 1 G 200.000 3500.000 1000.000 1 : molecular weight C2H L 1/91C 2H 1 G 200.000 3500.000 1000.000 1 :6.518000e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC2H L 1/91C 2H 1 G 200.000 3500.000 1000.000 1 : molecular weight C2H L 1/91C 2H 1 G 200.000 3500.000 1000.000 1 :6.518000e+01

M =

65.1800

species n Molecular mass n 65.180000 n
ans =

a9 =

' 2.33615629E-02'

Molecular Weight ofC2H2 L 1/91C 2H 2 G 200.000 3500.000 1000.000 1 : molecular weight C2H2 L 1/91C 2H 2 G 200.000 3500.000 1000.000 1 :6.719600e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC2H2 L 1/91C 2H 2 G 200.000 3500.000 1000.000 1 : molecular weight C2H2 L 1/91C 2H 2 G 200.000 3500.000 1000.000 1 :6.719600e+01

M =

67.1960

species n Molecular mass n 67.196000 n
ans =

a9 =

' 1.51479162E-03'

Molecular Weight ofC2H3 L 2/92C 2H 3 G 200.000 3500.000 1000.000 1 : molecular weight C2H3 L 2/92C 2H 3 G 200.000 3500.000 1000.000 1 :7.122800e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC2H3 L 2/92C 2H 3 G 200.000 3500.000 1000.000 1 : molecular weight C2H3 L 2/92C 2H 3 G 200.000 3500.000 1000.000 1 :7.122800e+01

M =

71.2280

species n Molecular mass n 71.228000 n
ans =

a9 =

'-7.57052247E-03'

Molecular Weight ofC2H4 L 1/91C 2H 4 G 200.000 3500.000 1000.000 1 : molecular weight C2H4 L 1/91C 2H 4 G 200.000 3500.000 1000.000 1 :7.122800e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC2H4 L 1/91C 2H 4 G 200.000 3500.000 1000.000 1 : molecular weight C2H4 L 1/91C 2H 4 G 200.000 3500.000 1000.000 1 :7.122800e+01

M =

71.2280

species n Molecular mass n 71.228000 n
ans =

a9 =

'-4.18658892E-03'

Molecular Weight ofC2H5 L12/92C 2H 5 G 200.000 3500.000 1000.000 1 : molecular weight C2H5 L12/92C 2H 5 G 200.000 3500.000 1000.000 1 :7.526000e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC2H5 L12/92C 2H 5 G 200.000 3500.000 1000.000 1 : molecular weight C2H5 L12/92C 2H 5 G 200.000 3500.000 1000.000 1 :7.526000e+01

M =

75.2600

species n Molecular mass n 75.260000 n
ans =

a9 =

'-5.50154270E-03'

Molecular Weight ofC2H6 L 8/88C 2H 6 G 200.000 3500.000 1000.000 1 : molecular weight C2H6 L 8/88C 2H 6 G 200.000 3500.000 1000.000 1 :8.836400e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC2H6 L 8/88C 2H 6 G 200.000 3500.000 1000.000 1 : molecular weight C2H6 L 8/88C 2H 6 G 200.000 3500.000 1000.000 1 :8.836400e+01

M =

88.3640

species n Molecular mass n 88.364000 n
ans =

a9 =

' 1.81188721E-02'

Molecular Weight ofCH2CO L 5/90C 2H 2O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH2CO L 5/90C 2H 2O 1 G 200.000 3500.000 1000.000 1 :3.880550e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH2CO L 5/90C 2H 2O 1 G 200.000 3500.000 1000.000 1 : molecular weight CH2CO L 5/90C 2H 2O 1 G 200.000 3500.000 1000.000 1 :3.880550e+02

M =

388.0550

species n Molecular mass n 388.055000 n
ans =

a9 =

' 0.17655021E-01'

Molecular Weight ofHCCO SRIC91H 1C 2O 1 G 300.00 4000.00 1000.000 1 : molecular weight HCCO SRIC91H 1C 2O 1 G 300.00 4000.00 1000.000 1 :2.701520e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHCCO SRIC91H 1C 2O 1 G 300.00 4000.00 1000.000 1 : molecular weight HCCO SRIC91H 1C 2O 1 G 300.00 4000.00 1000.000 1 :2.701520e+02

M =

270.1520

species n Molecular mass n 270.152000 n
ans =

a9 =

' 0.31072201E-01'

Molecular Weight ofHCCOH SRI91C 2O 1H 2 G 300.000 5000.000 1000.000 1 : molecular weight HCCOH SRI91C 2O 1H 2 G 300.000 5000.000 1000.000 1 :9.818600e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHCCOH SRI91C 2O 1H 2 G 300.000 5000.000 1000.000 1 : molecular weight HCCOH SRI91C 2O 1H 2 G 300.000 5000.000 1000.000 1 :9.818600e+01

M =

98.1860

species n Molecular mass n 98.186000 n
ans =

a9 =

' 0.56952331E-02'

Molecular Weight ofH2CN 41687H 2C 1N 1 G 300.00 4000.000 1000.000 1 : molecular weight H2CN 41687H 2C 1N 1 G 300.00 4000.000 1000.000 1 :4.202500e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofH2CN 41687H 2C 1N 1 G 300.00 4000.000 1000.000 1 : molecular weight H2CN 41687H 2C 1N 1 G 300.00 4000.000 1000.000 1 :4.202500e+02

M =

420.2500

species n Molecular mass n 420.250000 n
ans =

a9 =

' 0.10051170E-01'

Molecular Weight ofHCN GRI/98H 1C 1N 1 G 200.000 6000.000 1000.000 1 : molecular weight HCN GRI/98H 1C 1N 1 G 200.000 6000.000 1000.000 1 :3.481990e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHCN GRI/98H 1C 1N 1 G 200.000 6000.000 1000.000 1 : molecular weight HCN GRI/98H 1C 1N 1 G 200.000 6000.000 1000.000 1 :3.481990e+02

M =

348.1990

species n Molecular mass n 348.199000 n
ans =

a9 =

'-0.56696171E-02'

Molecular Weight ofHNO And93 H 1N 1O 1 G 200.000 6000.000 1000.000 1 : molecular weight HNO And93 H 1N 1O 1 G 200.000 6000.000 1000.000 1 :3.520470e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHNO And93 H 1N 1O 1 G 200.000 6000.000 1000.000 1 : molecular weight HNO And93 H 1N 1O 1 G 200.000 6000.000 1000.000 1 :3.520470e+02

M =

352.0470

species n Molecular mass n 352.047000 n
ans =

a9 =

' 0.00000000E+00'

Molecular Weight ofN L 6/88N 1 G 200.000 6000.000 1000.000 1 : molecular weight N L 6/88N 1 G 200.000 6000.000 1000.000 1 :3.781890e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofN L 6/88N 1 G 200.000 6000.000 1000.000 1 : molecular weight N L 6/88N 1 G 200.000 6000.000 1000.000 1 :3.781890e+02

M =

378.1890

species n Molecular mass n 378.189000 n
ans =

a9 =

'-0.48497072E-02'

Molecular Weight ofNNH T07/93N 2H 1 G 200.000 6000.000 1000.000 1 : molecular weight NNH T07/93N 2H 1 G 200.000 6000.000 1000.000 1 :8.022000e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofNNH T07/93N 2H 1 G 200.000 6000.000 1000.000 1 : molecular weight NNH T07/93N 2H 1 G 200.000 6000.000 1000.000 1 :8.022000e+01

M =

80.2200

species n Molecular mass n 80.220000 n
ans =

a9 =

' 0.11304728E-01'

Molecular Weight ofN2O L 7/88N 2O 1 G 200.000 6000.000 1000.000 1 : molecular weight N2O L 7/88N 2O 1 G 200.000 6000.000 1000.000 1 :5.040000e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofN2O L 7/88N 2O 1 G 200.000 6000.000 1000.000 1 : molecular weight N2O L 7/88N 2O 1 G 200.000 6000.000 1000.000 1 :5.040000e+02

M =

504.0000

species n Molecular mass n 504.000000 n
ans =

a9 =

' 0.31179198E-03'

Molecular Weight ofNH And94 N 1H 1 G 200.000 6000.000 1000.000 1 : molecular weight NH And94 N 1H 1 G 200.000 6000.000 1000.000 1 :2.441100e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofNH And94 N 1H 1 G 200.000 6000.000 1000.000 1 : molecular weight NH And94 N 1H 1 G 200.000 6000.000 1000.000 1 :2.441100e+02

M =

244.1100

species n Molecular mass n 244.110000 n
ans =

a9 =

'-0.21061385E-02'

Molecular Weight ofNH2 And89 N 1H 2 G 200.000 6000.000 1000.000 1 : molecular weight NH2 And89 N 1H 2 G 200.000 6000.000 1000.000 1 :3.021540e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofNH2 And89 N 1H 2 G 200.000 6000.000 1000.000 1 : molecular weight NH2 And89 N 1H 2 G 200.000 6000.000 1000.000 1 :3.021540e+02

M =

302.1540

species n Molecular mass n 302.154000 n
ans =

a9 =

'-0.46605230E-02'

Molecular Weight ofNH3 J 6/77N 1H 3 G 200.000 6000.000 1000.000 1 : molecular weight NH3 J 6/77N 1H 3 G 200.000 6000.000 1000.000 1 :5.724600e+01
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofNH3 J 6/77N 1H 3 G 200.000 6000.000 1000.000 1 : molecular weight NH3 J 6/77N 1H 3 G 200.000 6000.000 1000.000 1 :5.724600e+01

M =

57.2460

species n Molecular mass n 57.246000 n
ans =

a9 =

'-0.46389760E-02'

Molecular Weight ofNO RUS 78N 1O 1 G 200.000 6000.000 1000.000 1 : molecular weight NO RUS 78N 1O 1 G 200.000 6000.000 1000.000 1 :3.639930e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofNO RUS 78N 1O 1 G 200.000 6000.000 1000.000 1 : molecular weight NO RUS 78N 1O 1 G 200.000 6000.000 1000.000 1 :3.639930e+02

M =

363.9930

species n Molecular mass n 363.993000 n
ans =

a9 =

'-0.15854290E-02'

Molecular Weight ofNO2 L 7/88N 1O 2 G 200.000 6000.000 1000.000 1 : molecular weight NO2 L 7/88N 1O 2 G 200.000 6000.000 1000.000 1 :5.079840e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofNO2 L 7/88N 1O 2 G 200.000 6000.000 1000.000 1 : molecular weight NO2 L 7/88N 1O 2 G 200.000 6000.000 1000.000 1 :5.079840e+02

M =

507.9840

species n Molecular mass n 507.984000 n
ans =

a9 =

' 1.27505342E-02'

Molecular Weight ofHCNO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1382.000 1 : molecular weight HCNO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1382.000 1 :8.214100e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHCNO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1382.000 1 : molecular weight HCNO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1382.000 1 :8.214100e+02

M =

821.4100

species n Molecular mass n 821.410000 n
ans =

a9 =

' 6.88667922E-03'

Molecular Weight ofHOCN BDEA94H 1N 1C 1O 1G 300.000 5000.000 1368.000 1 : molecular weight HOCN BDEA94H 1N 1C 1O 1G 300.000 5000.000 1368.000 1 :8.854060e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHOCN BDEA94H 1N 1C 1O 1G 300.000 5000.000 1368.000 1 : molecular weight HOCN BDEA94H 1N 1C 1O 1G 300.000 5000.000 1368.000 1 :8.854060e+02

M =

885.4060

species n Molecular mass n 885.406000 n
ans =

a9 =

' 7.30282357E-03'

Molecular Weight ofHNCO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1478.000 1 : molecular weight HNCO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1478.000 1 :9.174040e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHNCO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1478.000 1 : molecular weight HNCO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1478.000 1 :9.174040e+02

M =

917.4040

species n Molecular mass n 917.404000 n
ans =

a9 =

' 0.88051688E-02'

Molecular Weight ofNCO EA 93 N 1C 1O 1 G 200.000 6000.000 1000.000 1 : molecular weight NCO EA 93 N 1C 1O 1 G 200.000 6000.000 1000.000 1 :6.194560e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofNCO EA 93 N 1C 1O 1 G 200.000 6000.000 1000.000 1 : molecular weight NCO EA 93 N 1C 1O 1 G 200.000 6000.000 1000.000 1 :6.194560e+02

M =

619.4560

species n Molecular mass n 619.456000 n
ans =

a9 =

'-0.95551327E-03'

Molecular Weight ofCN HBH92 C 1N 1 G 200.000 6000.000 1000.000 1 : molecular weight CN HBH92 C 1N 1 G 200.000 6000.000 1000.000 1 :1.471660e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCN HBH92 C 1N 1 G 200.000 6000.000 1000.000 1 : molecular weight CN HBH92 C 1N 1 G 200.000 6000.000 1000.000 1 :1.471660e+02

M =

147.1660

species n Molecular mass n 147.166000 n
ans =

a9 =

' 0.15960619E-01'

Molecular Weight ofHCNN SRI/94C 1N 2H 1 G 300.000 5000.000 1000.000 1 : molecular weight HCNN SRI/94C 1N 2H 1 G 300.000 5000.000 1000.000 1 :2.421910e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofHCNN SRI/94C 1N 2H 1 G 300.000 5000.000 1000.000 1 : molecular weight HCNN SRI/94C 1N 2H 1 G 300.000 5000.000 1000.000 1 :2.421910e+02

M =

242.1910

species n Molecular mass n 242.191000 n
ans =

a9 =

' 0.14082404E-02'

Molecular Weight ofN2 121286N 2 G 300.000 5000.000 1000.000 1 : molecular weight N2 121286N 2 G 300.000 5000.000 1000.000 1 :3.361680e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofN2 121286N 2 G 300.000 5000.000 1000.000 1 : molecular weight N2 121286N 2 G 300.000 5000.000 1000.000 1 :3.361680e+02

M =

336.1680

species n Molecular mass n 336.168000 n
ans =

a9 =

' 0.00000000E+00'

Molecular Weight ofAR 120186AR 1 G 300.000 5000.000 1000.000 1 : molecular weight AR 120186AR 1 G 300.000 5000.000 1000.000 1 :8.389080e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofAR 120186AR 1 G 300.000 5000.000 1000.000 1 : molecular weight AR 120186AR 1 G 300.000 5000.000 1000.000 1 :8.389080e+02

M =

838.9080

species n Molecular mass n 838.908000 n
ans =

a9 =

' 0.26424579E-01'

Molecular Weight ofC3H8 L 4/85C 3H 8 G 300.000 5000.000 1000.000 1 : molecular weight C3H8 L 4/85C 3H 8 G 300.000 5000.000 1000.000 1 :1.083540e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC3H8 L 4/85C 3H 8 G 300.000 5000.000 1000.000 1 : molecular weight C3H8 L 4/85C 3H 8 G 300.000 5000.000 1000.000 1 :1.083540e+02

M =

108.3540

species n Molecular mass n 108.354000 n
ans =

a9 =

' 0.25991980E-01'

Molecular Weight ofC3H7 L 9/84C 3H 7 G 300.000 5000.000 1000.000 1 : molecular weight C3H7 L 9/84C 3H 7 G 300.000 5000.000 1000.000 1 :1.103700e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofC3H7 L 9/84C 3H 7 G 300.000 5000.000 1000.000 1 : molecular weight C3H7 L 9/84C 3H 7 G 300.000 5000.000 1000.000 1 :1.103700e+02

M =

110.3700

species n Molecular mass n 110.370000 n
ans =

a9 =

'-0.31932858E-02'

Molecular Weight ofCH3CHO L 8/88C 2H 4O 1 G 200.000 6000.000 1000.000 1 : molecular weight CH3CHO L 8/88C 2H 4O 1 G 200.000 6000.000 1000.000 1 :5.200790e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH3CHO L 8/88C 2H 4O 1 G 200.000 6000.000 1000.000 1 : molecular weight CH3CHO L 8/88C 2H 4O 1 G 200.000 6000.000 1000.000 1 :5.200790e+02

M =

520.0790

species n Molecular mass n 520.079000 n
ans =

a9 =

' 0.10738574E-01'

Molecular Weight ofCH2CHO SAND86O 1H 3C 2 G 300.000 5000.000 1000.000 1 : molecular weight CH2CHO SAND86O 1H 3C 2 G 300.000 5000.000 1000.000 1 :3.801950e+02
Warning: Directory already exists.
> In project1 (line 103)
Molecular Weight ofCH2CHO SAND86O 1H 3C 2 G 300.000 5000.000 1000.000 1 : molecular weight CH2CHO SAND86O 1H 3C 2 G 300.000 5000.000 1000.000 1 :3.801950e+02

M =

380.1950

species n Molecular mass n 380.195000 n
ans =

Google link drive for folders:

https://drive.google.com/drive/folders/1_nj5a9EYv6gcdYLurWQxu0yqni2vQRA3?usp=sharing

References:

https://in.mathworks.com/help/matlab/ref/mkdir.html

https://in.mathworks.com/matlabcentral/answers/317006-create-new-folders-by-mkdir

https://in.mathworks.com/help/matlab/ref/saveas.html

https://in.mathworks.com/matlabcentral/answers/17580-how-to-define-a-path-in-saveas-command

https://in.mathworks.com/help/matlab/referencelist.html?type=function&category=printing-and-exporting

https://in.mathworks.com/help/matlab/ref/msgbox.html

https://in.mathworks.com/matlabcentral/answers/151692-display-value-in-message-box

https://in.mathworks.com/help/matlab/ref/fprintf.html

https://in.mathworks.com/help/matlab/ref/sprintf.html

http://combustion.berkeley.edu/gri-mech/data/nasa_plnm.html

https://ntrs.nasa.gov/archive/nasa/casi.ntrs.nasa.gov/19940013151.pdf

https://link.springer.com/chapter/10.1007/978-1-4684-0186-8_8

Project 1 - Parsing NASA thermodynamic data

Ship work like this
in your own course.

Talk to a career counsellor

Ship work like thisin your own course.

Talk to a career counsellor

Ship work like this
in your own course.