Publication | Closed Access
Chemical potential by gradual insertion of a particle in Monte Carlo simulation
94
Citations
7
References
1985
Year
EngineeringFluid MechanicsParticle MethodComputational ChemistryChemistrySimple LiquidChemical PotentialMolecular SimulationBiophysicsParticle-laden FlowLennard-jones Pair InteractionPhysicsMonte-carlo ModellingMonte CarloPhysical ChemistryMonte Carlo SimulationMonte Carlo SamplingMultiphase FlowWidom FormulaSequential Monte CarloGradual InsertionNatural SciencesMonte Carlo MethodApplied PhysicsFluid-solid InteractionChemical Kinetics
The chemical potential of a fluid can be determined in a Monte Carlo simulation by gradually turning on or off the interaction of one particle with the other particles. This method, which can be employed at densities where a direct use of the Widom formula is impractical, has been tested on a two-dimensional fluid of particles with a Lennard-Jones pair interaction.
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