Application of the inverse-problem method for the calculation of the probability characteristics of elementary processes
Autor: | L. A. Shelepin, I. V. Simanovskii, Yu. A. Kulagin, R. I. Serikov |
---|---|
Rok vydání: | 1999 |
Předmět: | |
Zdroj: | Journal of Russian Laser Research. 20:560-588 |
ISSN: | 1573-8760 1071-2836 |
DOI: | 10.1007/bf02508616 |
Popis: | The inverse problem method for elementary processes in physical-chemical kinetics is developed. By using experimental values of the velocity constants determined in a limited temperature range, cross-sections of the physical-chemical reactions are obtained as functions of the colling-molecule energies for the domain of all adiabatic and non-adiabatic energies. The mathematical foundations of the regularization, which are connected with the solution of a Fredholm equation of the first kind where the criterion selection of the regularization parameter is proposed, are considered in detail. Numerical calculations of cross-sections of a number of physical-chemical reactions are presented. The accuracy of the inverse problem is discussed. Parameters of the intermolecular potential, threshold energy, and activation energy of the elementary chemical reactions are determined. |
Databáze: | OpenAIRE |
Externí odkaz: |