Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures - vapor-liquid equilibria & adsorption

Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures - vapor-liquid equilibria & adsorption

We describe algorithms for the recently developed Bin-Monte Carlo (Bin-MC) method (Fan et al., 2012) and kinetic Monte Carlo (kMC) (Ustinov and Do, 2012) to simulate binary liquid mixtures, and compare them with simulations of vapour-liquid equilibria from the canonical and Gibbs MC methods. We have...

Full description

Bibliographic Details
Main Authors: Nguyen, V., Fan, Chunyan, Razak, M., Do, D., Nicholson, D., Ustinov, E.
Format: Journal Article
Published: Pergamon 2013
Online Access:http://hdl.handle.net/20.500.11937/55632

Internet

http://hdl.handle.net/20.500.11937/55632

Similar Items