Temperature Dependent Adsorption Dynamics of Binary Mixtures of Halomethanes on Graphite and $\alpha$-quartz Surfaces

ORAL

Abstract

Using atomistic molecular dynamics simulations, we have investigated the structure and dynamics of binary mixtures of halomethanes ($CF_4$, $CF_3Cl$, and $CF_3Br$) as a function of temperature on two structurally and chemically different surfaces. The initial distribution of the binary mixtures is either they are uniformly mixed or a layer or layers of one component is placed on top of a layer or layers of the other component. As a function of temperature (below and above the melting temperature of $CF_4$) and the two surface types, we observed a marked change on the concentration, dynamics, orientation, and structure of each of the components in the first layer of the binary mixtures next to the surfaces.

Authors

  • Jonathan Nehring

    North Park University

  • G. Leuty

    Southern Illinois University at Carbondale

  • Mesfin Tsige

    Southern Illinois University at Carbondale, Southern Illinois University