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