Project 1 - Parsing NASA thermodynamic data
AIM:
To write a code in Matlab to parse the NASA thermodynamic data file and then calculate the thermodynamic properties of various gas species.
OBJECTIVE:
1. To write a function that extracts the 14 coefficients and calculates the enthalpy, entropy, and specific heats for all the species 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 temperature
2. To calculate the molecular weight of each species and display it in the command window.
3. To plot the Cp, Enthalpy, and Entropy for the local temperature range (low temperature: high temperature) specific for each species.
4. To save the plots as images with appropriate names and dump them in separate folders for each species with suitable name automatically.
What is file Parsing?
File parsing is the process of analyzing a file's contents to extract relevant information and convert it into a structured form. It's a crucial step in data processing, and is used in many industries where data is abundant and needs to be processed efficiently
Enthalpy, Entropy, and Specific Heat:
Enthalpy, entropy, and specific heat, of various species values at different temperatures are required extensively to analyse 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. Similarly in the other processes like refrigeration, air conditioning, chemical kinetics, nozzle flow, detonation process, etc, these quantities are widely involved to observe the phenomenon.
NASA came up with polynomials that can be used to evaluate thermodynamic properties such as Cp, H, and S. They have documented the coefficients that are required to evaluate these polynomials for 1000+ species.
The NASA polynomials have the form:
Cp/R = a1 + a2 T + a3 T^2 + a4 T^3 + a5 T^4
H/RT = a1 + a2 T /2 + a3 T^2 /3 + a4 T^3 /4 + a5 T^4 /5 + a6/T
S/R = a1 lnT + a2 T + a3 T^2 /2 + a4 T^3 /3 + a5 T^4 /4 + a7
Where R is the
universal gas constant, T is the temperature and a1, a2, a3, a4, a5, a6, and a7
are the numerical coefficients supplied in the thermodynamic file. The FIRST 7
coefficients are HIGH-temperature coefficients (above 1000 K) and
the SECOND 7 coefficients are LOW-temperature coefficients
(below 1000 K).
CODING:
1. 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 temperature.
Cp = (a1 + a2 T + a3 T^2 + a4 T^3 + a5 T^4)*R
Function for Specific heat:
% Specific heat calculation function
function Cp = Specificheat(a1,a2,a3,a4,a5,a8,a9,a10,a11,a12,Temp,R,global_medium_temp)
% Comparing with global temperature
% If less than global temperature - 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));
end
2. Entropy:
Entropy, the measure of a system’s 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 the direction of spontaneous change for many everyday phenomena.
S = (a1 lnT + a2 T + a3 T^2 /2 + a4 T^3 /3 + a5 T^4 /4 + a7)*R
Function for Entropy:
% Entropy Calculation function
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 + a2 T /2 + a3 T^2 /3 + a4 T^3 /4 + a5 T^4 /5 + a6/T)*R*T
Function for Enthalpy:
4. Molecular Weight:
The molecular mass is the mass of a given molecule: it is measured in daltons. Different molecules of the same compound may have different molecular masses because they contain different isotopes of an element.
Function for Molecular Weight:
MAIN CODING:
EXPLANATION OF CODE:
- Making a directory using 'mkdir' with location address.
- After that, reading the text file 'Thermo.dat' file and opening it by using ‘fopen’ and 'r' as reading command.
- For reading the line in a text file using ‘fgetl’.
- To obtain the temperature range from the Thermo.dat file, using ‘strsplit’ to split the temperature into a particular string cell.
- Used ‘str2num’ for converting string cell to numbers.
- Divided the temperature into a string and then converted to a number so that temperature values can be used separately to solve the NASA thermodynamics.
- Using ‘for & end’ loops to skip the next three comment lines in the text file.
- Reading all the 53 species to plot specific heat(cp), enthalpy(H), and entropy(S), with temperature values, and to find the molecular weights.
- Used ‘for’ loop to read 53 species.
- Used ‘strfind’ to find string.
- Using 'linspace' specified the temperature range from low to high.
- Adding universal gas constant value ‘R’.
- Extracted higher and lower temperature coefficient by reading line by line from the species.
- Calling specific heat, enthalpy, entropy function codes.
- Calculating Molecular weight.
Attachment:
Screenshot of the window where all the folders are saved

RESULT:
Specific Heat, Entropy and Enthalpy Plots for O2, N2 and Co2 species :
1. Plots for O2
a. Variation of Specific heat with the temperature of O2

b. Variation of Entropy with the temperature of O2

c. Variation of Enthalpy with the temperature of O2

2. Plots for N2 :
a. Variation of Specific heat with the temperature of N2

b. Variation of Entropy with temperature of N2

c. Variation of Enthalpy with the temperature of N2

3. Plots for Co2 :
a. Variation of Specific heat with the temperature of Co2

b. Variation of Entropy with the temperature of CO2

c. Variation of Enthalpy with the temperature of CO2

MOLECULAR WEIGHT OF ALL SPECIES:[I have attached the pdf format of molecular weight of all species]
f1 = 3
Species = 'O' Molecular Weight of O : molecular weight O :1.599900e+01 Molecular Weight of O : molecular weight O :1.599900e+01 M = 15.9990 species n Molecular mass n 15.999000 n ans = 0
Species = 'O2' Molecular Weight of O2 : molecular weight O2 :3.199800e+01 Molecular Weight of O2 : molecular weight O2 :3.199800e+01 M = 31.9980 species n Molecular mass n 31.998000 n ans = 0
Species = 'H' Molecular Weight of H : molecular weight H :1.008000e+00 Molecular Weight of H : molecular weight H :1.008000e+00 M = 1.0080 species n Molecular mass n 1.008000 n ans = 0
Species = 'H2' Molecular Weight of H2 : molecular weight H2 :2.016000e+00 Molecular Weight of H2 : molecular weight H2 :2.016000e+00 M = 2.0160 species n Molecular mass n 2.016000 n ans = 0
Species = 'OH' Molecular Weight of OH : molecular weight OH :1.700700e+01 Molecular Weight of OH : molecular weight OH :1.700700e+01 M = 17.0070 species n Molecular mass n 17.007000 n ans = 0
Species = 'H2O' Molecular Weight of H2O : molecular weight H2O :1.801500e+01 Molecular Weight of H2O : molecular weight H2O :1.801500e+01 M = 18.0150 species n Molecular mass n 18.015000 n ans = 0
Species = 'HO2' Molecular Weight of HO2 : molecular weight HO2 :3.300600e+01 Molecular Weight of HO2 : molecular weight HO2 :3.300600e+01 M = 33.0060 species n Molecular mass n 33.006000 n ans = 0
Species = 'H2O2' Molecular Weight of H2O2 : molecular weight H2O2 :3.401400e+01 Molecular Weight of H2O2 : molecular weight H2O2 :3.401400e+01 M = 34.0140 species n Molecular mass n 34.014000 n ans = 0
Species = 'C' Molecular Weight of C : molecular weight C :1.201100e+01 Molecular Weight of C : molecular weight C :1.201100e+01 M = 12.0110 species n Molecular mass n 12.011000 n ans = 0
Species = 'CH' Molecular Weight of CH : molecular weight CH :1.301900e+01 Molecular Weight of CH : molecular weight CH :1.301900e+01 M = 13.0190 species n Molecular mass n 13.019000 n ans = 0
Species = 'CH2' Molecular Weight of CH2 : molecular weight CH2 :1.402700e+01 Molecular Weight of CH2 : molecular weight CH2 :1.402700e+01 M = 14.0270 species n Molecular mass n 14.027000 n ans = 0
Species = 'CH2(S)' Molecular Weight of CH2(S) : molecular weight CH2(S) :1.402700e+01 Molecular Weight of CH2(S) : molecular weight CH2(S) :1.402700e+01 M = 14.0270 species n Molecular mass n 14.027000 n ans = 0
Species = 'CH3' Molecular Weight of CH3 : molecular weight CH3 :1.503500e+01 Molecular Weight of CH3 : molecular weight CH3 :1.503500e+01 M = 15.0350 species n Molecular mass n 15.035000 n ans = 0
Species = 'CH4' Molecular Weight of CH4 : molecular weight CH4 :1.604300e+01 Molecular Weight of CH4 : molecular weight CH4 :1.604300e+01 M = 16.0430 species n Molecular mass n 16.043000 n ans = 0
Species = 'CO' Molecular Weight of CO : molecular weight CO :2.801000e+01 Molecular Weight of CO : molecular weight CO :2.801000e+01 M = 28.0100 species n Molecular mass n 28.010000 n ans = 0
Species = 'CO2' Molecular Weight of CO2 : molecular weight CO2 :4.400900e+01 Molecular Weight of CO2 : molecular weight CO2 :4.400900e+01 M = 44.0090 species n Molecular mass n 44.009000 n ans = 0
Species = 'HCO' Molecular Weight of HCO : molecular weight HCO :2.901800e+01 Molecular Weight of HCO : molecular weight HCO :2.901800e+01 M = 29.0180 species n Molecular mass n 29.018000 n ans = 0
Species = 'CH2O' Molecular Weight of CH2O : molecular weight CH2O :3.002600e+01 Molecular Weight of CH2O : molecular weight CH2O :3.002600e+01 M = 30.0260 species n Molecular mass n 30.026000 n ans = 0
Species = 'CH2OH' Molecular Weight of CH2OH : molecular weight CH2OH :3.103400e+01 Molecular Weight of CH2OH : molecular weight CH2OH :3.103400e+01 M = 31.0340 species n Molecular mass n 31.034000 n ans = 0
Species = 'CH3O' Molecular Weight of CH3O : molecular weight CH3O :3.103400e+01 Molecular Weight of CH3O : molecular weight CH3O :3.103400e+01 M = 31.0340 species n Molecular mass n 31.034000 n ans = 0
Species = 'CH3OH' Molecular Weight of CH3OH : molecular weight CH3OH :3.204200e+01 Molecular Weight of CH3OH : molecular weight CH3OH :3.204200e+01 M = 32.0420 species n Molecular mass n 32.042000 n ans = 0
Species = 'C2H' Molecular Weight of C2H : molecular weight C2H :2.503000e+01 Molecular Weight of C2H : molecular weight C2H :2.503000e+01 M = 25.0300 species n Molecular mass n 25.030000 n ans = 0
Species = 'C2H2' Molecular Weight of C2H2 : molecular weight C2H2 :2.603800e+01 Molecular Weight of C2H2 : molecular weight C2H2 :2.603800e+01 M = 26.0380 species n Molecular mass n 26.038000 n ans = 0
Species = 'C2H3' Molecular Weight of C2H3 : molecular weight C2H3 :2.704600e+01 Molecular Weight of C2H3 : molecular weight C2H3 :2.704600e+01 M = 27.0460 species n Molecular mass n 27.046000 n ans = 0
Species = 'C2H4' Molecular Weight of C2H4 : molecular weight C2H4 :2.805400e+01 Molecular Weight of C2H4 : molecular weight C2H4 :2.805400e+01 M = 28.0540 species n Molecular mass n 28.054000 n ans = 0
Species = 'C2H5' Molecular Weight of C2H5 : molecular weight C2H5 :2.906200e+01 Molecular Weight of C2H5 : molecular weight C2H5 :2.906200e+01 M = species n Molecular mass n 29.062000 n ans = 0
Species = 'C2H6' Molecular Weight of C2H6 : molecular weight C2H6 :3.007000e+01 Molecular Weight of C2H6 : molecular weight C2H6 :3.007000e+01 M = 30.0700 species n Molecular mass n 30.070000 n ans = 0
Species = 'CH2CO' Molecular Weight of CH2CO : molecular weight CH2CO :4.203700e+01 Molecular Weight of CH2CO : molecular weight CH2CO :4.203700e+01 M = 42.0370 species n Molecular mass n 42.037000 n ans = 0
Species = 'HCCO' Molecular Weight of HCCO : molecular weight HCCO :4.102900e+01 Molecular Weight of HCCO : molecular weight HCCO :4.102900e+01 M = 41.0290 species n Molecular mass n 41.029000 n ans = 0
Species = 'HCCOH' Molecular Weight of HCCOH : molecular weight HCCOH :4.203700e+01 Molecular Weight of HCCOH : molecular weight HCCOH :4.203700e+01 M = 42.0370 species n Molecular mass n 42.037000 n ans = 0
Species = 'H2CN' Molecular Weight of H2CN : molecular weight H2CN :2.803400e+01 Molecular Weight of H2CN : molecular weight H2CN :2.803400e+01 M = 28.0340 species n Molecular mass n 28.034000 n ans = 0
Species = 'HCN' Molecular Weight of HCN : molecular weight HCN :2.702600e+01 Molecular Weight of HCN : molecular weight HCN :2.702600e+01 M = 27.0260 species n Molecular mass n 27.026000 n ans = 0
Species = 'HNO' Molecular Weight of HNO : molecular weight HNO :3.101400e+01 Molecular Weight of HNO : molecular weight HNO :3.101400e+01 M = 31.0140 species n Molecular mass n 31.014000 n ans = 0
Species = 'N' Molecular Weight of N : molecular weight N :1.400700e+01 Molecular Weight of N : molecular weight N :1.400700e+01 M = 14.0070 species n Molecular mass n 14.007000 n ans = 0
Species = 'NNH' Molecular Weight of NNH : molecular weight NNH :2.902200e+01 Molecular Weight of NNH : molecular weight NNH :2.902200e+01 M = 29.0220 species n Molecular mass n 29.022000 n ans = 0
Species = 'N2O' Molecular Weight of N2O : molecular weight N2O :4.401300e+01 Molecular Weight of N2O : molecular weight N2O :4.401300e+01 M = 44.0130 species n Molecular mass n 44.013000 n ans = 0
Species = 'NH' Molecular Weight of NH : molecular weight NH :1.501500e+01 Molecular Weight of NH : molecular weight NH :1.501500e+01 M = 15.0150 species n Molecular mass n 15.015000 n ans = 0
Species = 'NH2' Molecular Weight of NH2 : molecular weight NH2 :1.602300e+01 Molecular Weight of NH2 : molecular weight NH2 :1.602300e+01 M = 16.0230 species n Molecular mass n 16.023000 n ans = 0
Species = 'NH3' Molecular Weight of NH3 : molecular weight NH3 :1.703100e+01 Molecular Weight of NH3 : molecular weight NH3 :1.703100e+01 M = 17.0310 species n Molecular mass n 17.031000 n ans = 0
Species = 'NO' Molecular Weight of NO : molecular weight NO :3.000600e+01 Molecular Weight of NO : molecular weight NO :3.000600e+01 M = 30.0060 species n Molecular mass n 30.006000 n ans = 0
Species = 'NO2' Molecular Weight of NO2 : molecular weight NO2 :4.600500e+01 Molecular Weight of NO2 : molecular weight NO2 :4.600500e+01 M = 46.0050 species n Molecular mass n 46.005000 n ans = 0
Species = 'HCNO' Molecular Weight of HCNO : molecular weight HCNO :4.302500e+01 Molecular Weight of HCNO : molecular weight HCNO :4.302500e+01 M = 43.0250 species n Molecular mass n 43.025000 n ans = 0
Species = 'HOCN' Molecular Weight of HOCN : molecular weight HOCN :4.302500e+01 Molecular Weight of HOCN : molecular weight HOCN :4.302500e+01 M = 43.0250 species n Molecular mass n 43.025000 n ans = 0
Species = 'HNCO' Molecular Weight of HNCO : molecular weight HNCO :4.302500e+01 Molecular Weight of HNCO : molecular weight HNCO :4.302500e+01 M = 43.0250 species n Molecular mass n 43.025000 n ans = 0
Species = 'NCO' Molecular Weight of NCO : molecular weight NCO :4.201700e+01 Molecular Weight of NCO : molecular weight NCO :4.201700e+01 M = 42.0170 species n Molecular mass n 42.017000 n ans = 0
Species = 'CN' Molecular Weight of CN : molecular weight CN :2.601800e+01 Molecular Weight of CN : molecular weight CN :2.601800e+01 M = 26.0180 species n Molecular mass n 26.018000 n ans = 0
Species = 'HCNN' Molecular Weight of HCNN : molecular weight HCNN :4.103300e+01 Molecular Weight of HCNN : molecular weight HCNN :4.103300e+01 M = 41.0330 species n Molecular mass n 41.033000 n ans = 0
Species = 'N2' Molecular Weight of N2 : molecular weight N2 :2.801400e+01 Molecular Weight of N2 : molecular weight N2 :2.801400e+01 M = 28.0140 species n Molecular mass n 28.014000 n ans = 0
Species = 'AR' Molecular Weight of AR : molecular weight AR :3.994800e+01 Molecular Weight of AR : molecular weight AR :3.994800e+01 M = 39.9480 species n Molecular mass n 39.948000 n ans = 0
Species = 'C3H8' Molecular Weight of C3H8 : molecular weight C3H8 :4.409700e+01 Molecular Weight of C3H8 : molecular weight C3H8 :4.409700e+01 M = 44.0970 species n Molecular mass n 44.097000 n ans = 0
Species = 'C3H7' Molecular Weight of C3H7 : molecular weight C3H7 :4.308900e+01 Molecular Weight of C3H7 : molecular weight C3H7 :4.308900e+01 M = 43.0890 species n Molecular mass n 43.089000 n ans = 0
Species = 'CH3CHO' Molecular Weight of CH3CHO : molecular weight CH3CHO :4.405300e+01 Molecular Weight of CH3CHO : molecular weight CH3CHO :4.405300e+01 M = 44.0530 species n Molecular mass n 44.053000 n ans = 0
Species = 'CH2CHO' Molecular Weight of CH2CHO : molecular weight CH2CHO :4.304500e+01 Molecular Weight of CH2CHO : molecular weight CH2CHO :4.304500e+01 M = 43.0450 species n Molecular mass n 43.045000 n ans = 0 >>
Google drive link of the folder: https://drive.google.com/drive/folders/1MAUqIpsReujWA7oaG_x-DldsWftzDSkJ?usp=sharing