Average Deactivation Time of the Heterogeneous Reaction 2A plus B-2 -> 2AB

作者：Pastor V E^*; Dammig Quina P L; Salvatierra L M; Irurzun I M; Mola E E

来源：MATCH-Communications in Mathematical and in Computer Chemistry, 2014, 71(1): 47-56.

In the present paper we exactly solve the distributed parameter stochastic model of the heterogeneous catalytic reaction 2A + B-2 -> 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 p(d), reaching a maximum value that depends on s, p(d) and the lattice size N.

• 出版日期2014