Um modelo para a superfície líquida no estudo da dinâmica do espalhamento de Xe e Ne pelo esqualano

Química Nova

Alexandre S. Leal¹  Ivanildo Rodrigues¹  Heloiza H. R. Schor¹ 

[1] ,Univesidade Federal de Minas Gerais Instituto de Ciências Exatas Departamento de QuímicaBelo Horizonte MG

关键词: gas-liquid scattering;    liquid surface;    classical trajectories;   

DOI  :  10.1590/S0100-40422004000300019

来源: SciELO

【 摘 要 】

In this work we present a theoretical model to investigate the scattering of Xe and Ne by a liquid squalane surface. The liquid surface is modeled as a grid of harmonic oscillators with frequencies adjusted to experimental vibration as frequencies of the liquid squalane and the atom-surface interaction potential is modeled by a Lennard-Jones function. The three dimensional description of the dynamics of the process which occurs at the gas-liquid interface is obtained by the classical trajectory method. The general characteristics of the dynamics of the scattering process are in good agreement with experimental data.

【 授权许可】

CC BY-NC   
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