Continuous fractional component Gibbs ensemble Monte Carlo
نویسندگان
چکیده
A continuous fractional component (CFC) approach increases the probability of particle swaps in context vapor-liquid equilibrium simulations using Gibbs ensemble Monte Carlo algorithm. Two variants CFC are compared for pure Lennard-Jones (LJ) fluids and binary LJ mixtures as examples. The details an exemplary implementation presented. Recommendations provided to reduce effort required suggested problems.
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ژورنال
عنوان ژورنال: American Journal of Physics
سال: 2023
ISSN: ['0002-9505', '1943-2909']
DOI: https://doi.org/10.1119/5.0135841