Project 1 - Parsing NASA thermodynamic data
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 poly porials have the form as shown below.
Cp/R = al + a2 T + a3 T^2 + a4 T^3 + a5 T^4
H/RT = al + a2 T /2 + a3 T^2 /3 + a4 T^3 /4 + a5 T^4 /5 + a6/T
S/R = al InT + 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
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.
FILE PARSING:
File parsing refers to how information can be read from a particular text file or any type of file and how that information can be used in a
computer program.
Step 1 - Define the functionStep 2 - Create an InputParser objectStep 3 - Add inputs to the scheme.
Step 4 - Set properties to adjust parsing.-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 & entropy for a particular element. Each element has its own range of local temperature. Below screenshot of the
THERMO.dat file is displayed.
LIST OF 53 ELEMENT CONTAINED IN FILE THERMO.dat:
AR
C
C2H
C2H2
C2H5
C2H6
C3H7
C3H8
CH2(S)
CH2CHO
CH2CO
CH2O
CH3CHO
CH3O
CH3OH
CH4
C02
H
H2
H2CN
HCCO
CCOH
HCNN
HNCO
HNO
HO2
HOCN
C2H3
CH
CH2OH
CN
H2O
HCNO
N
C2H4
CH2
CH3
CO
H202
HCO
N2
ENTHALPY,ENTROPYNSPECIFIC HEAT:
Enthalpy, entropy, and specific heat, of various species values at different temperatures 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. Similarly in the other processes like
refrigeration, air conditioning. *hemical 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 = al + a2 T /2 + a3 T^2 /3 + a4 T^3 /4 + a5 T^4 /5 + a6/T
S/R= at InT + 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 at, 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 FUNCTIONS:
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 = (af + 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)) ;
* Else maximum coefficients are taken
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= (at InT + a2 T + a3 T^2 /2 + 24 T^3 /g- aS T^A /4 + a7)"R
Function for Entropy:
* Entropy Calculation function
function S = Entropy_calc(a1, a2, a3, a4, a5, a7, a8, a9, a10,a11, a12, a14, Temp, R, global_medium_te
& Comparing with global temperature
% If less than global temperature - minimum coefficients are taken
if Temp <= global_ medium_temp
S= R.(a8.*log (Temp) + (a9.*Temp) + (a10((Temp).^2)/2) + (a11*((Temp). ^3) /3)
else
* Else - maximum coefficients are taken
5 = R.(a1.*log (Temp) + (a2.*Temp) + (a3((Temp). ^2) /2) + (a4*((Temp). ^3)/3) + (a...
end
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= (at + a2 T /2 + a3 T^2 /3 + 24 T^3 /4 + aS T^4 /5 + a6/T)°R*T
Function for Enthalpy.
* Enthalpy Calculation function
function H = Enthalpy(a1, a2, a3,a4, a5, a6, a8, a9,a10,a11, a12, a13, Temp, R, global_medium_temp)
% Comparing with global temperature
* If less than global temperature - minimum coefficients are taken
if Temp <= global_medium_temp
H = R*Temp.(a8 + ((a9*Temp) /2) + ((a10(Temp).^2)/3) + ((a11*(Temp).^3)/4) + ((a
else
* Else maximum coefficients are taken
H = R*Temp.*(a1 + ((a2*Temp)/2) + ((a3(Temp). ^2)/3) + ((a4*(Temp).^3)/4) + ((a5*
end
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:
% Molecular Weight Calculation function
function Molecularweight = Molecular_weight (Species_SP)
& Standard - Atomic Name
atomic_name = ('H','C', 'O', 'N', 'A'l;
* Hydrogen, Carbon, Oxygen, Nitrogen, Argon
fprintf ('Molecular Weight of ");
fprintf(Species_SP);
fprintf(* : *);
& Standard Atomic Number
Atomic_Weight = (1.008 12.011 15.999 14.007 39.948];
% Starting Range of Molecule
Molecularweight = 0;
% Adding Atomic number to obtain particular value
for 1 = 1: length (Species_SP)
for j = 1: length(atomic name)
if strempi(Species_SP(i) ,atomic_name (j))
Molecularweight = Molecularweight +Atomic _Weight (j);
position = j;
end
end
n = str2num(Species_SP(i));
if n>1
Molecularweight = Molecularweight + Atomic _Weight (position)*(n-1) ;
end
end
fprintf( 'molecular weight %S :', Species_SP);
fprintf("%d' ,Molecularweight);
disp(' ');
end
MAIN CODE:
1. clear all' - clear all the variables in the workspace,
"close all' - closes all the plots and figures and
"dIe' - 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 'fgett.
5. To obtain the temperature range from the Thermo.dat file, using 'strsplit' to split the temperature into a particular string cell.
6. Used 'str2num' for converting string cell to numbers.
7. 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.
8. Using for & end' loops to skip the next three comment lines in the text file.
9. Reading all the 53 species to plot specific heat (cp), enthalpy(H), and entropy(S), with temperature values, and to find the molecular
weights.
10. Used for loop to read 53 species.
11. Used 'strfind' to find string,
12. Using linspace' specified the temperature range from low to high.
13. Adding universal gas constant value "R.
14. Extracted higher and lower temperature coefficient by reading line by line from the species.
15. Calling specific heat, enthalpy, entropy function codes
16. Calculating Molecular weight.
Open a file or obtain information about open files
"r:
Open the file for reading
fgetl:
Read line from file
strsplit:
Split string or character vector at specified delimiter
str2num:
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 current directory
mkdir:
Make new directory
cd:
Change working directory
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Molecular Weight ofNO2 : MolecularWeight NO2:4.600500e+01
cur_dir =
'/Users/rummankhan/Documents/MATLAB'
Warning: Directory already exists.
> In PARSING (line 92)
H =
1.0e+26 *
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0.1581 0.1594 0.1606 0.1618 0.1631 0.1644 0.1656 0.1669 0.1682 0.1695
Columns 721 through 730
0.1708 0.1721 0.1734 0.1747 0.1761 0.1774 0.1788 0.1801 0.1815 0.1829
Columns 731 through 740
0.1843 0.1857 0.1871 0.1885 0.1899 0.1914 0.1928 0.1943 0.1957 0.1972
Columns 741 through 750
0.1987 0.2001 0.2016 0.2032 0.2047 0.2062 0.2077 0.2093 0.2108 0.2124
Columns 751 through 760
0.2140 0.2155 0.2171 0.2187 0.2203 0.2220 0.2236 0.2252 0.2269 0.2286
Columns 761 through 770
0.2302 0.2319 0.2336 0.2353 0.2370 0.2387 0.2405 0.2422 0.2440 0.2457
Columns 771 through 780
0.2475 0.2493 0.2511 0.2529 0.2547 0.2566 0.2584 0.2602 0.2621 0.2640
Columns 781 through 790
0.2659 0.2678 0.2697 0.2716 0.2735 0.2755 0.2774 0.2794 0.2814 0.2833
Columns 791 through 800
0.2853 0.2874 0.2894 0.2914 0.2935 0.2955 0.2976 0.2997 0.3018 0.3039
Columns 801 through 810
0.3060 0.3081 0.3103 0.3124 0.3146 0.3168 0.3190 0.3212 0.3234 0.3256
Columns 811 through 820
0.3279 0.3301 0.3324 0.3347 0.3370 0.3393 0.3416 0.3440 0.3463 0.3487
Columns 821 through 830
0.3510 0.3534 0.3558 0.3583 0.3607 0.3631 0.3656 0.3681 0.3705 0.3730
Columns 831 through 840
0.3756 0.3781 0.3806 0.3832 0.3858 0.3883 0.3909 0.3936 0.3962 0.3988
Columns 841 through 850
0.4015 0.4042 0.4068 0.4095 0.4123 0.4150 0.4177 0.4205 0.4233 0.4261
Columns 851 through 860
0.4289 0.4317 0.4346 0.4374 0.4403 0.4432 0.4461 0.4490 0.4519 0.4549
Columns 861 through 870
0.4578 0.4608 0.4638 0.4668 0.4699 0.4729 0.4760 0.4790 0.4821 0.4853
Columns 871 through 880
0.4884 0.4915 0.4947 0.4979 0.5011 0.5043 0.5075 0.5108 0.5140 0.5173
Columns 881 through 890
0.5206 0.5239 0.5273 0.5306 0.5340 0.5374 0.5408 0.5442 0.5477 0.5511
Columns 891 through 900
0.5546 0.5581 0.5616 0.5652 0.5687 0.5723 0.5759 0.5795 0.5831 0.5868
Columns 901 through 910
0.5904 0.5941 0.5978 0.6015 0.6053 0.6090 0.6128 0.6166 0.6204 0.6243
Columns 911 through 920
0.6281 0.6320 0.6359 0.6398 0.6438 0.6477 0.6517 0.6557 0.6598 0.6638
Columns 921 through 930
0.6679 0.6719 0.6760 0.6802 0.6843 0.6885 0.6927 0.6969 0.7011 0.7054
Columns 931 through 940
0.7096 0.7139 0.7183 0.7226 0.7270 0.7313 0.7357 0.7402 0.7446 0.7491
Columns 941 through 950
0.7536 0.7581 0.7626 0.7672 0.7718 0.7764 0.7810 0.7857 0.7903 0.7950
Columns 951 through 960
0.7998 0.8045 0.8093 0.8141 0.8189 0.8237 0.8286 0.8335 0.8384 0.8433
Columns 961 through 970
0.8483 0.8533 0.8583 0.8633 0.8684 0.8734 0.8785 0.8837 0.8888 0.8940
Columns 971 through 980
0.8992 0.9045 0.9097 0.9150 0.9203 0.9256 0.9310 0.9364 0.9418 0.9472
Columns 981 through 990
0.9527 0.9582 0.9637 0.9692 0.9748 0.9804 0.9860 0.9917 0.9974 1.0031
Columns 991 through 1,000
1.0088 1.0145 1.0203 1.0261 1.0320 1.0378 1.0437 1.0497 1.0556 1.0616
Molecular Weight ofCH2CHO : MolecularWeight CH2CHO:4.302500e+01
cur_dir =
'/Users/rummankhan/Documents/MATLAB'
Warning: Directory already exists.
> In PARSING (line 92)
Molecular Weight ofCH2CHO : MolecularWeight CH2CHO:4.302500e+01
M =
43.0250
species n molecular mass n 43.025000 n
ans =
0
>>

RESULTS:
SPECIFIC HEAT,ENTROPY,ENTHALPY PLOTS FOR O2,N2,CO2 SPECIES
1:PLOT FOR O2:
VARIATION OF SPECIFIC HEAT WITH THE TEMPRATURE OF O2

B:VARIATION OF ENTROPY WITH THE TEMPRATURE OF O2

C:VARIATION OF ENTHALPY WITH THE TEMPRATURE OF O2:

2:PLOT FOR N2:
VARIATION OF SPECIFIC HEAT WITH THE TEMPRATURE OF N2:

B:VARIATION OF ENTROPY WITH THE TEMPRATURE OF N2:

C:VARIATION OF ENTHALPY WITH THE TEMPRATURE OF N2:

2:PLOT FOR CO2:
VARIATION OF SPECIFIC HEAT WITH THE TEMPRATURE OF CO2:

B:VARIATION OF ENTROPY WITH THE TEMPRATURE OF CO2:

B:VARIATION OF ENTHALPY WITH THE TEMPRATURE OF CO2:

Conclusion:
Using MATLAB code, the necessary coefficients required to evaluate various thermodynamic parameters for different species are extracted
from NASA thermodynamic data file. The specific heat, enthalpy, and entropy for all the species are calculated and plotted against the local
temperature range. The molecular weight is calculated for all the species.
https://drive.google.com/drive/folders/1RPNxIi1vjqNXCs3Yxp9WItf0D1SvRRIX?usp=sharing