RPA – Tool for Rocket Propulsion Analysis
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Thermodynamic data

RPA utilizes expandable thermodynamic data library mainly based on NASA Glenn thermodynamic database, which contains data for both reaction products and reactants (propellant components).

The library includes data for such propellant components as hydrogen (H2), RP-1, RG-1, Synthine, methane (CH4), propane (C3H8), monomethyl hydrazine (MMH, C1H6N2), unsymmetrical dimethyl hydrazine (UDMH, C2H8N2), oxygen (O2), nitrogen tetra-oxide (N2O4), hydrogen peroxide (H2O2), and other, as well as the data for numerous combustion product species.

The library is stored as ASCII file, that may be modified by the user either with an embedded thermodynamic database editor, or in any text editor.

The format of the file is described in paper RP-1311-P2 by Gordon, S. and McBride, B.J. (Appendix A, p.73), as well as on the page NASA Glenn thermodynamic database.

The user can incorporate into the library the species obtained from third parties.

The import of species from PROPEP database is also possible.

The user can also define his/her own new propellant components, providing the proper chemical formula and heat of formation at standard conditions.

For example, the following data describes the fuel Synthine (C10H16), liquid with molecular weigth 136.23404 and heat of formation 133509.36 J/mol: 

C10H16(L)         Synthine (aka syntin or sintin). Synthetic hydrocarbon fuel   
 0        C  10.00H   16.0    0.00    0.00    0.00 1   136.23404       133509.36
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000

Using updated file with CEA2

Thermodynamic data file from this site can be used with NASA CEA2 as well: just run CEA2 with updated file thermo.inp in order to obtain binary file thermo.lib, or download ready-to-use binary.

Updates

01-September-2011

Updated heat of formation for C8H14(L) - dicyclobutyl (a.k.a. boctane)

Download the updated species library.

15-August-2011

Combined different forms of the same solid species to improve the calculation of nozzle exit condition for reaction products with "liqud-solid" phase transition.

13-May-2011

Added data for the synthetic hydrocarbon fuel C8H14(L) - dicyclobutyl a.k.a. boctane.

Corrected data for Eicosane (Paraffin) and Dotriacontane (Paraffin).

23-December-2010

Added data for the following species: ZnCL, ZnCL2, ZnCL2(a), ZnCL2(L), ZnO, ZnO(a), ZnO(L), ZnS, ZnS(a), ZnS(b), Zn(OH)2(a).

08-December-2010

John DeMar added data for following species: HTPB, HTPB+Curative, CTPB, CTPB+Curative, PBAN, DER-332, DOA, DIBA, IPDI, PAPI-94, Isonate-143L, E744, HX-752, HX-878, Castor Oil, EHA, DBP, IDP, Lecithin, PDMS, Nitronium Perchlorate, Iron Oxide (yellow), Copper Chromite, Catocene, Ferrocene, Oxamide, Manganese Dioxide, Barium Nitrate, Barium Peroxide, Strontium Nitrate, Strontium Nitrate (hydrated), Strontium Peroxide, Strontium Chromate, Sodium Bicarbonate, Zinc Oxide, Copper Oxychloride, Copper Carbonate (dark-blue), Copper Carbonate (green), Parlon, Calcium Silicide, Ammonium Dichromate, Ferric Ferrocyanide, Melamine, Borax-10, Borax-4, Sodium tetraborate (dehydrated), Resorcinol.

10-August-2010

Data for water solutions of ethanol (C2H5OH) and hydrogen peroxide (H2O2) (both with respect to heat of solution), as well as for Kerosene T-1, Glucose, Paraffin, Asphalt, HTPB and Polyethylene: 

C2H5OH(L),95%     Ethanol-water solution 95%. Gurvich, calculated.              
 0        C 1.7628H 5.5255O 1.0000    0.00    0.00 1   42.7406800    -278138.951
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
C2H5OH(L),90%     Ethanol-water solution 90%. Gurvich, calculated.              
 0        C 1.5575H 5.1149O 1.0000    0.00    0.00 1   39.8612900    -279114.911
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
C2H5OH(L),70%     Ethanol-water solution 70%. Gurvich, calculated.              
 0        C 0.9542H 3.9085O 1.0000    0.00    0.00 1   31.3998200    -282043.275
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
C2H5OH(L),50%     Ethanol-water solution 50%. Gurvich, calculated.              
 0        C 0.5622H 3.1245O 1.0000    0.00    0.00 1   25.9016100    -283987.650
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
C2H5OH(L),40%     Ethanol-water solution 40%. Gurvich, calculated.              
 0        C 0.4136H 2.8272O 1.0000    0.00    0.00 1   23.8164400    -284727.141
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),95%       H.peroxide-water solution 95%. Gurvich, calculated.           
 0        H   2.00O 1.9096    0.00    0.00    0.00 1    32.56847     -196942.961
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),90%       H.peroxide-water solution 90%. Gurvich, calculated.           
 0        H   2.00O 1.8266    0.00    0.00    0.00 1    31.24023     -205357.858
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),85%       H.peroxide-water solution 85%. Gurvich, calculated.           
 0        H   2.00O 1.7501    0.00    0.00    0.00 1    30.01608     -213056.950
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),80%       H.peroxide-water solution 80%. Gurvich, calculated.           
 0        H   2.00O 1.6793    0.00    0.00    0.00 1    28.88425     -220096.952
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),75%       H.peroxide-water solution 75%. Gurvich, calculated.           
 0        H   2.00O 1.6137    0.00    0.00    0.00 1    27.83467     -226624.629
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),70%       H.peroxide-water solution 705%. Gurvich, calculated.           
 0        H   2.00O 1.5527    0.00    0.00    0.00 1    26.85870     -232636.113
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),60%       H.peroxide-water solution 60%. Gurvich, calculated.           
 0        H   2.00O 1.4427    0.00    0.00    0.00 1    25.09863     -243438.083
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
H2O2(L),50%       H.peroxide-water solution 50%. Gurvich, calculated.           
 0        H   2.00O 1.3462    0.00    0.00    0.00 1    23.55504     -252801.671
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
T-1               Kerosene T-1                                                  
 0        C   1.00H  1.956    0.00    0.00    0.00 1   13.98223        -27377.21
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
C6H12O6           Glucose (Dextrose). Propep                                    
 0        C   6.00H  12.00O   6.00    0.00    0.00 1   180.155880   -1273121.249
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
C20H42(L)         Eicosane (Paraffin). Webbook NIST                             
 0        C  20.00H  42.00O   0.00    0.00    0.00 1   282.5475          -556500
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
C32H66(a)         Eicosane (Paraffin).                                          
 0        C  32.00H  66.00O   0.00    0.00    0.00 1   450.8664          -698520
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
Bitumen           Asphalt. Journal of Pyrotechnics, Issue No.9 (1999)           
 0        C  84.00H  11.00O   3.00N   1.00S   1.00 1   1114.05604   -1636084.875
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
HTPB              Kubota. Propallants and Explosives. p.71                      
 0        C  7.075H  10.65N  0.063O 0.2230    0.00 1  100.16055           -58000
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
Polyethylene      Propep.                                                       
 0        C   2.00H   4.00    0.00    0.00    0.00 1    28.05316      -53170.613
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
Polyethylene,2    Film. Propep.                                                 
 0        C   2.00H   4.00    0.00    0.00    0.00 1    28.05316      -57630.841
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
Polyethylene,3    Pelletes. Propep.                                             
 0        C   2.00H   4.00    0.00    0.00    0.00 1    28.05316      -56104.973
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
Polethylene,G    Polethylene glycol. Propep.                                    
 0        C   2.00H   4.00O   1.00    0.00    0.00 1    44.05256     -195006.234
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000

14-May-2010

Data for liquid nitrous oxide N2O at the temperatures 184.67K and 298.15K: 

N2O(L),184.67K    Nitrous oxide. http://software.lpre.de                        
 0        N   2.00O   1.00    0.00    0.00    0.00 1   44.0128000      61024.000
    184.670      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000
N2O(L),298.15K    Nitrous oxide. http://software.lpre.de                        
 0        N   2.00O   1.00    0.00    0.00    0.00 1   44.0128000      65100.000
    298.150      0.0000  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0            0.000

Related information

For more detailed information on thermodynamic database see:

  1. NASA Glenn thermodynamic database
  2. Format for Thermodynamic Data Coefficients
  3. IVTANTHERMO thermodynamic database (limited) (in Russian)
  4. Thermodynamic Properties of Individual Substances (in Russian)
  5. Thermodynamic constants (in Russian)
  6. NIST Standard Reference Database
  7. Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables
Copyright © 2009-2011 Alexander Ponomarenko  |  Contact  | 
Last modified: September 3, 2011