Title

Effect of Temperature and Solvent On Dispersion of Layered Platelets Studied by Monte Carlo Simulation

Document Type

Article

Publication Date

7-24-2008

Department

Physics and Astronomy

Abstract

The effects of solvent and temperature on the exfoliation of layered platelets are studied by a Monte Carlo simulation on a cubic lattice. A platelet is modeled by a square sheet consisting of nodes tethered together by fluctuating bonds and the solvent by a set of particles. The interaction strength between sheets and the solvent describes the solvent quality. Density profiles of the sheet and solvent particles and their dynamics are studied. We find that the platelets are held together by attractive interactions between sheets and particles via their interstitial intercalation and disperse (exfoliate) easily with weakly attractive to repulsive interactions. The dispersion is enhanced on increasing the temperature.

Publication Title

Macromolecular Theory and Simulations

Volume

17

Issue

4-5

First Page

208

Last Page

216