화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.103, No.49, 10179-10186, 1999
Driving high threshold chemical reactions by cluster-surface collisions: Molecular dynamics simulations for CH3I clusters
Computational results for the surface impact of (CH3I)(n) clusters are presented, and the dynamics of formation of molecular products is examined. The mechanism is compared to the high energy bimolecular CH3I + CH3I collision and to other reactions in impact-heated clusters, in particular, the burning of air. The results are discussed in reference to the experimentally: observed formation of molecular iodine (as I-2(-)) in surface collisions of (CH3I)(n)(-) clusters.