A model for the liquid surface in the study of the dynamics of the scattering of Xe and Ne from squalane

Química Nova

Leal, Alexandre S.¹  Schor, Heloiza H. R.¹  Univesidade Federal de Minas Gerais, Belo Horizonte¹  Rodrigues, Ivanildo¹ 

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

DOI  :  10.1590/S0100-40422004000300019

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 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】

Unknown