Consistency of NVT, NPT, µVT and Gibbs (NV2T and NPT) with kinetic Monte Carlo schemes
Shiliang Tan, D.D. Do, D. Nicholson
Topics & Concepts
Monte Carlo methodThermodynamicsAdsorptionChemistryIsothermal processKinetic Monte CarloConsistency (knowledge bases)Canonical ensembleAmmoniaKinetic energyPhysical chemistryPhysicsMathematicsOrganic chemistryGeometryQuantum mechanicsStatisticsPhase Equilibria and ThermodynamicsAdvanced Thermodynamics and Statistical Mechanicsnanoparticles nucleation surface interactions