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Computer Simulation of Diffusion and Adsorption in Pillared Clays
Published online by Cambridge University Press: 15 February 2011
Abstract
We developed a model to describe the morphology and energetics of pillared clays. Grand- Canonical Ensemble Monte Carlo and Molecular Dynamics simulations are used to study diffusion and adsorption of finite-size molecules in such systems, and the effect of various factors on these processes is investigated.
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- Copyright © Materials Research Society 1995