Computation of air chemical equilibrium composition until 30000K - Part I

Pimentel, Carlos Alberto Rocha; Hetem Jr., Annibal

doi:10.5028/jatm.2011.03021011

Abstract

An algorithm was developed to obtain the air chemical equilibrium composition. The air was considered to be composed of 79% N₂ and 21% O₂, and the models are 5 chemical species, N₂, O₂, NO, N, O, and 7 chemical species, N₂, O₂, NO, N, O, NO⁺, e^-, respectively. The air chemical equilibrium composition is obtained through the equilibrium constants method and it was used the Absolute Newton method for convergence. The algorithm can be coupled as a subroutine into a Computational Fluid Dynamics code, given the flow field over an atmosphere reentry vehicle where, due to high velocities, dissociative chemical reactions and air ionization can occur. This work presents results of air chemical equilibrium composition for pressures of 1, 5, 10, 50 and 100 atm in a temperature range from 300 to 30000K.

Keywords:
Air composition; Nitrogen chemistry; High temperature; Chemical equilibrium problem; Absolute Newton method

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REFERENCES

Anderson Jr., J.D., 1989, "Hypersonic and high temperature gas dynamics", Series in Aeronautical and Aerospace Engineering, McGraw-Hill, Singapore, 690p.
Carvalho Jr., J.A.C., McQuay, M.Q., 2007, "Princípios de combustão aplicada", Ed. Federal University of Santa Catarina, Florianópolis, Brazil, 175p.
Gordon, S., McBride, B.J., 1994, "Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications. I. Analysis", NASA Reference Publication 1311.
Gupta, R.N., Yos, J.M., Thompson, R.A., and Lee, K.P., 1990, "A review of reaction rates and thermodynamic and transport proprieties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K", NASA Reference Publication 1232.
Meintjes, K., Morgan, A.P., 1989, "Elements Variables and the Solution of Complex Chemical Equilibrium Problems", Combustion Science and Technology, Vol. 68, pp. 35-48.
Pinto, J.C., Lage, P.L.C., 2001, "Método numéricos em problemas de Engenharia Química", Série Escola Piloto em Engenharia Química - COOPE/Federal University of Rio de Janeiro, Ed. E-papers, Rio de Janeiro, Brazil, 316p.
Prabhu, R., Erickson, W.D., 1988, "A Rapid Method for the Computation of Equilibrium Chemical Composition of Air to 15000 K", NASA Technical Paper 2792.
Sabetta, F., Favini, B., and Onofri, M., 1993, "Equilibrium and nonequilibrium modeling of hypersonic inviscid flows", Computers & Fluids, Vol. 22, No. 2-3, pp. 369-380. doi:10.1016/0045-7930(93)90066-I
» https://doi.org/10.1016/0045-7930(93)90066-I
Smith, G.L., Erickson, W.D., and Eastwood, M.R., 1967, "Equations for the rapid machine computation of equilibrium composition of air and derivatives for flow-field calculations", NASA Technical Note D-4103.
William, J., 2000, "Étude des Processus Physico-Chimiques dans les Écoulements Détendus à Haute Enthalpie: Application à la Soufflerie à Arc F4", ONERA NT 2000-5, Vol. I and II.

Publication Dates

Publication in this collection
May-Aug 2011

History

Received
15 Mar 2011
Accepted
01 June 2011

This is an Open Access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

[1] Anderson Jr., J.D., 1989, "Hypersonic and high temperature gas dynamics", Series in Aeronautical and Aerospace Engineering, McGraw-Hill, Singapore, 690p.

[2] Carvalho Jr., J.A.C., McQuay, M.Q., 2007, "Princípios de combustão aplicada", Ed. Federal University of Santa Catarina, Florianópolis, Brazil, 175p.

[3] Gordon, S., McBride, B.J., 1994, "Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications. I. Analysis", NASA Reference Publication 1311.

[4] Gupta, R.N., Yos, J.M., Thompson, R.A., and Lee, K.P., 1990, "A review of reaction rates and thermodynamic and transport proprieties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K", NASA Reference Publication 1232.

[5] Meintjes, K., Morgan, A.P., 1989, "Elements Variables and the Solution of Complex Chemical Equilibrium Problems", Combustion Science and Technology, Vol. 68, pp. 35-48.

[6] Pinto, J.C., Lage, P.L.C., 2001, "Método numéricos em problemas de Engenharia Química", Série Escola Piloto em Engenharia Química - COOPE/Federal University of Rio de Janeiro, Ed. E-papers, Rio de Janeiro, Brazil, 316p.

[7] Prabhu, R., Erickson, W.D., 1988, "A Rapid Method for the Computation of Equilibrium Chemical Composition of Air to 15000 K", NASA Technical Paper 2792.

[8] Sabetta, F., Favini, B., and Onofri, M., 1993, "Equilibrium and nonequilibrium modeling of hypersonic inviscid flows", Computers & Fluids, Vol. 22, No. 2-3, pp. 369-380. doi:10.1016/0045-7930(93)90066-I
» https://doi.org/10.1016/0045-7930(93)90066-I

[9] Smith, G.L., Erickson, W.D., and Eastwood, M.R., 1967, "Equations for the rapid machine computation of equilibrium composition of air and derivatives for flow-field calculations", NASA Technical Note D-4103.

[10] William, J., 2000, "Étude des Processus Physico-Chimiques dans les Écoulements Détendus à Haute Enthalpie: Application à la Soufflerie à Arc F4", ONERA NT 2000-5, Vol. I and II.

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