INVITED ARTICLE Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids

@inproceedings{Ashton2010INVITEDAG,
  title={INVITED ARTICLE Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids},
  author={Douglas James Ashton and Nigel B. Wilding},
  year={2010}
}
We describe a Monte Carlo scheme for the grand canonical simulation study of fluid phase equilibria in highly size-asymmetrical binary mixtures. The method utilizes an expanded ensemble in which the insertion and deletion of large particles is accomplished gradually by traversing a series of states in which a large particle interacts only partially with the environment of small particles. Free energy barriers arising from interfacial coexistence states are surmounted with the aid of… CONTINUE READING

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