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

Abstract

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.

A 2d model of the dynamic of the collision: i2-polymeric liquid surfaces of perfluorinatedpolyether (PFPE), polydimetilsiloxane (PDMS) and squalane

“…Experiments have shown that PDMS, squalane and PFPE have axial protruding -CH 3 and -CF 3 groups, respectively, in a trans configuration and the orientation of these groups also suggests some degree of order in the liquid surface. [12][13][14][15] Therefore, we describe in this model the oscillations of the protruding groups, taken as a -CH 3 group in PDMS and squalane and a -CF 3 group in PFPE, as the oscillations of a set of three coupled harmonic oscillators of mass M corresponding to the mass of each group. The frequencies ν 1 and ν 2 of the oscillators are the two lowest frequencies observed in the Raman spectra of these compounds.…”

“…Experiments of scattering of atoms and molecules from liquid surfaces, some in association with molecular dynamics simulations have been used to elucidate the dynamics of inelastic collision, the trapping and desorption processes and the reaction between gaseous species and liquids of low vapor pressure [1][2][3][4][5][6][7][8][9][10][11] and liquid crystals. 12 In this work, we have simulated a scattering experiment of I 2 molecules from the liquid polymeric surfaces of PFPE (perfluorinatedpolyether, F[CF(CF 3 . In the related experiments, the processes in which the molecules are scattered directly from the surface could be distinguished from those in which they are adsorbed at the surface.…”