INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
Average Deactivation Time of the Heterogeneous Reaction 2A + B2 --> 2AB
Autor/es:
V. E. PASTOR; P. L. DAMMIG QUIÑA; L. M. SALVATIERRA; I. M. IRURZUN; E. E. MOLA
Revista:
MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY
Editorial:
UNIV KRAGUJEVAC
Referencias:
Año: 2014 vol. 71 p. 47 - 65
ISSN:
0340-6253
Resumen:
In the present paper we exactly solve the distributed parameter stochastic model of the heterogeneous catalytic reaction 2A + B2 --> 2AB and calculate the average number of reactive steps necessary to deactivate the lattice first,< t >. Results are compared with Monte Carlo simulations. < t > shows a nonmonotonic behavior with the sticking coefficient probability s and the desorption probability pd , reaching a maximum value that depends on s, pd and the lattice size N.
