The effect of the combined volume on the efficiency
of Gibbs ensemble simulations
Abstract:
This note concerns itself with the difficulty in transfering a
molecula to the vapro phase at low density. The problem here is
that putting even one molecule into the vapor phase increases the
density well above the thermodynamic average and as a result it
is very unlikely to see there two or more. However, if the
combined volume is chosen high enough so that the thermodynamic
average of the vapor density requires more than one molecule in
the vapor phase, the density fluctuations can be expected to
improve markedly.