A Thermodynamic-scaling Study of Gibbs-ensemble Monte Carlo

DOI10.1080/0892702031000103167MaRDI QIDQ4433544zbMATH OpenOpenAlexFDO

Authors John P. Valleau

Publication date 16 December 2003

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/0892702031000103167

zbMATH Keywords

Gibbs-ensemble Monte Carlo (GEMC) computationMonte CarloPhase transitionsThermodynamic scaling

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Multiphase and multicomponent flows (76T99) Classical equilibrium statistical mechanics (general) (82B05) Statistical thermodynamics (82B30)

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Cited in

(13)

• Kirkwood-Buff thermodynamics derived from grand canonical molecular dynamics and DRISM calculations
• Thermodynamical observables in a finite temperature window from the Monte Carlo Hamiltonian.
• Monte Carlo simulation of thermodynamic systems with cluster formation under different boundary conditions
• Phase coexistence and critical point of the Stell-Hemmer fluid
• Derivation of the Formula to Calculate the Chemical Potential Difference for the Components Involved in Identity Exchange Moves in Gibbs Ensemble Simulation of Mixtures
• Simulating Fluid–Solid Equilibrium with the Gibbs Ensemble
• Efficient Volume Changes in Constant-Pressure Monte Carlo Simulations
• The Extrapolation of Vapour–liquid Equilibrium Curves of Pure Fluids in Alternative Gibbs Ensemble Monte Carlo Implementations
• Liquid–Gas Phase Transitions Studied by Multibaric–Multithermal Monte Carlo Simulations
• Temperature-and-density-scaling Monte Carlo: methodology and the canonical thermodynamics of Lennard-Jonesium
• Temperature-and-density-scaling Monte Carlo: isothermal–isobaric thermodynamics of Lennard-Jonesium
• Exploring fluctuations and phase equilibria in fluid mixtures via Monte Carlo simulation
• Accurate simulation estimates of phase behavior in ternary mixtures with prescribed composition

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