Chemical reactions rates in the TEFIS database on thermophysical properties of dense plasma

Capa

Citar

Texto integral

Acesso aberto Acesso aberto
Acesso é fechado Acesso está concedido
Acesso é fechado Somente assinantes

Resumo

Since the 1960s at the Keldysh Institute of Applied Mathematics team led by N.N. Kalitkin creates the TEFIS database on the thermophysical properties of substances. In recent years, this database has included a section on the rates of chemical reactions that describe several relevant processes. For this, new mathematical methods for regression of experimental data measured with significant errors were developed. This paper presents the current state of work in this area.

Texto integral

Acesso é fechado

Sobre autores

O. Topor

Lomonosov Moscow State University

Autor responsável pela correspondência
Email: topor.oi15@physics.msu.ru
Rússia, Moscow

A. Belov

Lomonosov Moscow State University; Peoples’ Friendship University of Russia

Email: topor.oi15@physics.msu.ru
Rússia, Moscow; Moscow

L. Borodachev

Lomonosov Moscow State University

Email: topor.oi15@physics.msu.ru
Rússia, Moscow

Bibliografia

  1. http://kinetics.nist.gov/kinetics.
  2. http://www.me.berkeley.edu/gri_mech.
  3. Burkholder J.B., Sander S.P., Abbatt J. et al. Chemical kinetics and photochemical data for use in atmospheric studies. Evaluation No. 18. JPL Publication 15–10. Pasadena: Jet Propulsion Laboratory, 2015.
  4. Baulch D.L., Bowman C.T., Cobos C.J. et al. // J. Phys. Chem. Ref. Data. 2005. V. 34. No. 3. P. 757.
  5. Ибрагимова Л.Б., Смехов Г.Д., Шаталов О.П. // Физ.-хим. кинетика в газовой динамике. 2009. Т. 8. С. 1.
  6. http://tefis.ru.
  7. Белов А.А., Калиткин Н.Н., Козлитин И.А., Корякин П.В. // Изв. РАН. Сер. физ. 2018. Т. 82. № 11. С. 1606; Belov A.A., Kalitkin N.N., Kozlitin I.A., Koryakin P.V. // Bull. Russ. Acad. Sci. Phys. 2018. V. 82. No. 11. P. 1464.
  8. Белов А.А., Калиткин Н.Н. // Журн. вычисл. мат. и мат. физики. 2020. Т. 60. № 7. С. 105; Belov A.A., Kalitkin N.N. // Comput. Math. Math. Phys. 2020. V. 60. No. 7. P. 1199.
  9. Топор О.И., Белов А.А., Бородачев Л.В. // Изв. РАН. Сер. физ. 2022. Т. 86. № 11. С. 1586; Topor O.I., Belov A.A., Borodachev L.V. // Bull. Russ. Acad. Sci. Phys. 2022. V. 86. No. 11. P. 1320.
  10. Kovacs M., Papp M., Zsely I.G., Turanyi T. // Fuel. 2020. V. 264. Art. No. 116720.
  11. Ross S.K., Sutherland J.W., Kuo S-C., Klemm R.B. // J. Phys. Chem. A. 1997. V. 101. P. 1104.
  12. Johnsson J.E., Glarborg P., Dam-Johansen K. // Symp. Int. Combust. 1992. V. 24. No. 1. P. 917.
  13. Breshears W.D. // J. Phys. Chem. 1995. V. 99. P. 12529.
  14. Tsang W., Herron J.T. // J. Phys. Chem. Ref. Data. 1991. V. 20. P. 609.
  15. Hanson R.K., Salimian S. Survey of rate constants in the N/H/O system. Combustion Chemistry. New York: Springer-Verlag, 1984.
  16. Sobol I.M. // Math Comput. Simulation. 2001. V. 55. P. 271.
  17. Spivak S.I., Ismagilova A.S. // Dokl. Phys. Chem. 2013. V. 451. No. 1. P. 164.
  18. Белов А.А., Калиткин Н.Н., Кузьмина Л.В. // Матем. моделир. 2016. Т. 28. № 8. С. 46; Belov A.A., Kalitkin N.N., Kuzmina L.V. // Math. Model. Comput. Simulation. 2016. V. 28. No. 8. P. 72.
  19. Белов А.А. // Препринт ИПМ им. М.В. Келдыша. 2015. № 71. С. 1.
  20. Nurislamova L.F., Stoyanovskaya O.P., Stadnichenko O.A. et al. // Chem. Prod. Proc. Model. 2014. V. 9. No. 2. P. 143.
  21. Топор О.И., Белов А.А., Федоров И.А. // Изв. РАН. Сер. физ. 2021. Т. 85. № 2. С. 261; Topor O.I., Belov A.A., Fedorov I.A. // Bull. Russ. Acad. Sci. Phys. 2021. V. 85. No. 2. P. 196.
  22. Белов А.А., Калиткин Н.Н., Кузьмина Л.В. // Матем. моделир. 2016. Т. 28. № 8. С. 46; Belov A.A., Kalitkin N.N., Kuzmina L.V. // Math. Model. Comput. Simulation. 2016. V. 28. No. 8. P. 46.

Arquivos suplementares

Arquivos suplementares
Ação
1. JATS XML
2. Fig. 1. Reaction N2O + M → N2 + O + M. Dots are experiments. The solid line is the TEFIS approximation, the dotted line is the boundaries of its confidence interval

Baixar (115KB)
3. Fig. 2. Reaction N2O + M → N2 + O + M. Relation of the TEFIS approximation to approximations from the NIST database. Numbers near the lines are the reference number from the reference list

Baixar (89KB)
4. Fig. 3. Concentrations of the most important components during combustion of H2 + O2

Baixar (91KB)
5. Fig. 4. Deviations of concentrations from reference concentrations during reduction of the reaction system

Baixar (98KB)

Declaração de direitos autorais © Russian Academy of Sciences, 2024