RUS  ENG JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PACKAGE AMSBIB
General information
Latest issue
Archive
Impact factor

Search papers
Search references

RSS
Latest issue
Current issues
Archive issues
What is RSS



Matem. Mod.:
Year:
Volume:
Issue:
Page:
Find






Personal entry:
Login:
Password:
Save password
Enter
Forgotten password?
Register


Matem. Mod., 2011, Volume 23, Number 7, Pages 61–72 (Mi mm3131)  

Simulations of adiabatic chemical reactions in condensed media

K. S. Arakelov

M. V. Lomonosov Moscow State University, Faculty of Computational Mathematics and Cybernetics

Abstract: Algorithms of simulation of adiabatic chemical reactions in condensed media have been developed. The time behavior of newly introduced collective coordinate of media has been studied for model reaction of electron excitation of single active particle. Theoretical justification of algorithms has been stated. The dependency of correlation functions of collective coordinate of media on temperature has been studied numerically. The dependency of reaction rate on temperature has been numerically calculated based on algorithms developed. The correspondence between calculated rate-temperature curve and simple formulas of chemical kinetics has been shown.

Keywords: simulations, chemical reactions, condensed media, adiabatic, collective coordinate

Full text: PDF file (175 kB)
References: PDF file   HTML file

English version:
Mathematical Models and Computer Simulations, 2012, 4:1, 110–117

Received: 07.12.2010

Citation: K. S. Arakelov, “Simulations of adiabatic chemical reactions in condensed media”, Matem. Mod., 23:7 (2011), 61–72; Math. Models Comput. Simul., 4:1 (2012), 110–117

Citation in format AMSBIB
\Bibitem{Ara11}
\by K.~S.~Arakelov
\paper Simulations of adiabatic chemical reactions in condensed media
\jour Matem. Mod.
\yr 2011
\vol 23
\issue 7
\pages 61--72
\mathnet{http://mi.mathnet.ru/mm3131}
\transl
\jour Math. Models Comput. Simul.
\yr 2012
\vol 4
\issue 1
\pages 110--117
\crossref{https://doi.org/10.1134/S2070048212010036}
\scopus{http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84928985900}


Linking options:
  • http://mi.mathnet.ru/eng/mm3131
  • http://mi.mathnet.ru/eng/mm/v23/i7/p61

    SHARE: VKontakte.ru FaceBook Twitter Mail.ru Livejournal Memori.ru


    Citing articles on Google Scholar: Russian citations, English citations
    Related articles on Google Scholar: Russian articles, English articles
  • Математическое моделирование
    Number of views:
    This page:265
    Full text:74
    References:51
    First page:6

     
    Contact us:
     Terms of Use  Registration  Logotypes © Steklov Mathematical Institute RAS, 2020