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research article
Free energies and phase equilibria of chain molecules
In this Article, a review is presented of recent developments in Monte Carlo simulations of chain molecules. The Rosenbluth chain insertion technique is used to calculate the free energy of the chain molecules. Furthermore, this insertion method is used to generate biased Monte Carlo moves. It is shown that this bias can be removed by adjusting the acceptance rules such that configurations are generated with their correct Boltzmann weight. This configurational‐bias Monte Carlo method can be combined with the Gibbs‐ensemble technique which results in an efficient method to simulate phase equilibria of chain molecules.
Type
research article
Authors
Publication date
1994
Published in
Volume
81
Issue
1
Start page
343
Peer reviewed
REVIEWED
Written at
OTHER
EPFL units
Available on Infoscience
August 14, 2014
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