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Dynamics of a heavy ionic pair in a cavity with an elastic or inelastic boundary, crosspieces, and fixed charges of opposite sign

期刊

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B
卷 7, 期 4, 页码 355-370

出版社

MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S1990793113040155

关键词

ions in a cavity; the method of classical trajectories; elastic and inelastic encounters; shielding

资金

  1. Russia Foundation of Basic Research [09-08-00189-a, 12-08-00128-a]

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Using the method of classical trajectories, we have simulated the motion of a pair of ions Cs+ and Cl- in ellipsoidal cavities containing neutral cylindrical crosspieces and charged spherical nuclei (both the signs and the absolute values of the charges of the nuclei were varied). Both elastic and inelastic encounters of the ions with the cavity boundary, crosspieces, and nuclei are considered. Most attention is paid to the statistics of the captures of trajectories by the nuclei (for elastic encounters of the ions with the obstacles) and to that of the stickings of the ions to the nuclei (for inelastic encounters), as well as to the statistics of the ion recombination events and the dissociation events of the corresponding molecule with an ionic bond. The dynamical consequences of nuclei shielding (i.e., a decrease in the absolute values of the nuclei charges) have been determined.

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