Software packages for thermal calculation of chemical rocket engines

Software packages designed for thermodynamic simulation of processes in chambers of thermochemical rocket engines are considered. The software package usually includes a thermal calculation program and a database on the thermodynamic properties of combustion products. The analysis of algorithms for calculating the equilibrium composition of combustion products is carried out. The thermal calculation of a thermochemical rocket engine contains two components, namely thermodynamic and gas-dynamic. As a result of thermodynamic calculation, the equilibrium composition of the combustion products, the adiabatic flame temperature, entropy, enthalpy, heat capacity, speed of sound, adiabatic exponent, etc. of the combustion products in three sections of the chamber of the rocket engine is determined. Further, based on the results of thermodynamic calculations, the flow velocity, specific impulse, characteristic velocity, and other parameters are determined. It is shown that the thermal calculation algorithm developed at NASA is the most popular for thermodynamic modeling of processes in chambers of thermochemical rocket engines. The main sources of information on the thermodynamic properties of combustion products are the Thermodynamic properties of individual substances and NIST-JANAF reference books.
EDN: RTUVYT, https://elibrary/rtuvyt

References

[1] Glushko V.P., ed. Termodinamicheskie i teplofizicheskie svoystva produktov sgoraniya. T. 1 [Thermodynamic and thermophysical properties of combustion products. Vol. 1]. Moscow, VINITI Publ., 1971. 263 p. (In Russ.).

[2] Zeleznik F.J., Gordon S. Calculation of complex chemical equilibria. Ind. Eng. Chem., 1968, vol. 60, no. 6, pp. 27–57, doi: https://doi.org/10.1021/ie50702a006

[3] Sinyarev G.B., Slynko L.E., Trusov B.G. Method, universal algorithm, and program for thermodynamic calculation of multicomponent heterogeneous systems. Trudy MVTU, 1978, no. 268. 56 p. (In Russ.).

[4] Belov G.V. Termodinamicheskoe modelirovanie [Thermodynamic modeling]. Moscow, Nauchnyy Mir Publ., 2002. 184 p. (In Russ.).

[5] Cuadra A., Huete C., Vera M. Combustion toolbox: an open-source thermochemical code for gas-and condensed-phase problems involving chemical equilibrium. arXiv:2409.15086. DOI: https://doi.org/10.48550/arXiv.2409.15086

[6] Trusov B.G. Code system for simulation of phase and chemical equilibriums at higher temperatures. Vestnik MGTU im. N.E. Baumana, 2012, no. 1, pp. 240–249, doi: https://doi.org/10.18698/2308-6033-2012-1-31 (in Russ.).

[7] Cantera: website. URL: https://cantera.org/ (accessed: 11.08.2025).

[8] Smith W.R., Missen R.W. Chemical reaction equilibrium analysis. Wiley, 1982. 364 p.

[9] Implementing CEA calculations using Cantera. kyleniemeyer.github.io: website. URL: https://kyleniemeyer.github.io/rocket-propulsion/thermochemistry/cea_cantera.html (accessed: 11.06.2025).

[10] Belov G.V. Calculation of equilibrium composition of complex thermodynamic systems using Julia language and Ipopt library. Vestn. Mosk. Gos. Tekh. Univ. im. N.E. Baumana, Priborostr. [Herald of the Bauman Moscow State Tech. Univ., Instrum. Eng.], 2021, no. 3, pp. 24–45, doi: https://doi.org/10.18698/0236-3933-2021-3-24-45 (in Russ.).

[11] Belov G.V. Development of tools for thermodynamic calculation of rocket engine characteristics using the Julia programming language. Vestn. Mosk. Gos. Tekh. Univ. im. N.E. Baumana, Mashinostr. [Herald of the Bauman Moscow State Tech. Univ., Mechan. Eng.], 2021, no. 4, pp. 80–93, doi: https://doi.org/10.18698/0236-3941-2021-4-80-93 (in Russ.).

[12] Wächter A., Biegler L.T. On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming. Math. Program., 2006, vol. 106, no. 1, pp. 25–57, doi: https://doi.org/10.1007/s10107-004-0559-y

[13] Belov G.V., Dyachkov S.A., Levashov P.R. et al. The IVTANTHERMO-Online database for thermodynamic properties of individual substances with web interface. J. Phys.: Conf. Ser., 2018, vol. 946, art. 012120, doi: https://doi.org/10.1088/1742-6596/946/1/012120

[14] NIST-JANAF thermochemical tables. URL: https://janaf.nist.gov (accessed: 11.06.2025).

[15] McBride B.J. Coefficients for calculating thermodynamic and transport properties of individual species. NASA Langley Research Center, 1993. 90 p.

[16] Burcat A., Ruscic B. Third millennium ideal gas and condensed phase thermochemical database for combustion with updates from active thermochemical tables. Report No. ANL-05/20, Argonne, 2005. 26 p.