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Berlin 2001 – scientific programme

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MO: Molekülphysik

MO 1: Posters Monday: Clusters, Fullerenes and Nanotubes

MO 1.12: Poster

Monday, April 2, 2001, 12:30–15:00, AT3

Kinetics of water clusters collisions — •Anatoli Vostrikov1,2 and Sergei Drozdov11Institute of Thermophysics SB RAS, Novosibirsk 630090, Russia — 2Novosibirsk State University, Novosibirsk 630090, Russia

Previously we discovered and examined phenomenon of ion pairs formation and separation that occurs when a beam of water clusters (H2O)n is scattered by various solid surfaces [1]. Kinetics of nonequilibrium dissipation of the cluster kinetic energy into H2O intramolecular degrees of freedom at cluster-surface collisions was studied by the numerical simulation with a classical mechanical molecular dynamics technique [2]. In the present work we studied collisions between water clusters (H2O)n, n=27, with relative velocities V=1, 3, or 10 km/s and various initial temperatures, using the molecular dynamics method within the framework of a polarization model. It was found that the clusters may either stick together (at V=1 km/s), break into fragments (V=3 km/s), or form compressed (excited) molecules (V=10 km/s) dissociating into H+ and OH. Inside the cluster, the charge is transferred by the H+ hopping mechanism. Upon fragmentation, the clusters separate into H+(H2O)i and OH(H2O)j ions.

[1] A.A.Vostrikov, D.Yu.Dubov, Z.Phys.D, 20, 61 (1991).

[2] A.A.Vostrikov, A.M.Zadorozhny, D.Yu.Dubov et al, Z.Phys.D, 40, 542(1997).

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