A CLASSICAL MOLECULAR-DYNAMICS STUDY OF RECOMBINATION REACTIONS IN A MICROPOROUS SOLID

Authors
DELOGU F DEMONTIS P SUFFRITTI GB TILOCCA A
Citation
F. Delogu et al., A CLASSICAL MOLECULAR-DYNAMICS STUDY OF RECOMBINATION REACTIONS IN A MICROPOROUS SOLID, The Journal of chemical physics, 109(7), 1998, pp. 2865-2873
Citations number
49
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
109
Issue
7
Year of publication
1998
Pages
2865 - 2873
Database
ISI
SICI code
0021-9606(1998)109:7<2865:ACMSOR>2.0.ZU;2-I
Abstract
Classical molecular dynamics calculations have been applied to the stu dy of the recombination reaction of photodissociated radical species. Within a simplified reaction scheme it has been possible to get qualit ative information about the influence of the environment. A comparison has been made between reactions in a liquid solvent and in a complex structured environment, such as a microporous silicate. Marked differe nces in the recombination yield and in the energy relaxation mechanism have been observed. (C) 1998 American Institute of Physics.