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Gibbs ensemble Monte Carlo for phase equilibria

GCMC generates a Markov chain of microscopic states that sample this probability distribution. There are two types of move in GCMC  [Pg.269]

Thermal equilibration moves. These are the same moves in constant NVT phase space with particle displacements and acceptance rules, [Pg.269]

Chemical equilibration moves. These are particle insertion and deletion moves  [Pg.269]

Using these acceptance rules, the system maintains constant jx, T, T. [Pg.269]

6 Gibbs ensemble Monte Carlo for phase equilibria [Pg.269]




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