Direct Gibbs ensemble Monte Carlo simulations for solid-vapor phase equilibria: Applications to Lennard-Jonesium and carbon dioxide

Keyphrases

• Phase Equilibria 100%
• Carbon Dioxide 100%
• Vapor Phase 100%
• Gibbs Ensemble Monte Carlo 100%
• Triple Point 100%
• Gibbs Ensemble 66%
• Swap Move 66%
• Triple Point Temperature 66%
• Vapor Chamber 66%
• Individual Cells 33%
• From below 33%
• Monte Carlo Method 33%
• Thermodynamics 33%
• Solid Phase 33%
• Monte Carlo 33%
• Clausius-Clapeyron Equation 33%
• Coexistence Curve 33%
• Vapor-liquid Equilibrium 33%
• Point Location 33%
• Ensemble Simulation 33%
• Solid Materials 33%
• One-axis 33%
• Cell Length 33%
• H-matrix 33%
• Sublimation Pressure 33%
• Solid Slab 33%
• Integration Simulation 33%
• TraPPE Force Field 33%
• Vapor Pressure Curve 33%
• Gibbs-Duhem 33%
• Sample Transfer 33%
• Configurational Bias Monte Carlo 33%
• Precise Determination 33%

Chemistry

• Monte Carlo Method 100%
• Gibbs Free Energy 100%
• Solid-Vapour Phase Equilibrium 100%
• Triple Point 100%
• Statistical Ensemble 100%
• Carbon Dioxide 100%
• Phase Equilibria 20%
• Vapor Pressure 20%
• Configurational Bias Monte Carlo 20%
• Thermodynamics 20%