Monte Carlo computer simulation study of the hydrophobic effect: Potential of mean force for [(CH₄)₂]_aq at 25 and 50 °C

Keyphrases

• Simulation Study 100%
• Monte Carlo Computer Simulation 100%
• Convergence Rate 100%
• Potential of Mean Force 100%
• Hydrophobic Effect 100%
• Hydrophobic Interaction 50%
• Sampling Methods 50%
• Binding Energy 50%
• Intermolecular Interactions 50%
• Quantum Mechanical Calculations 50%
• Distribution Function 50%
• Temperature Effect 50%
• Monte Carlo Method 50%
• Quasicomponent 50%
• Component Distribution 50%
• Radial Distribution Function 50%
• Coordination number 50%
• Energy Interaction 50%
• Umbrella Sampling 50%
• Berne 50%
• Liquid State 50%
• Acceleration Techniques 50%
• Concentration Dependence 50%
• Apolar 50%
• Pair Interaction Energy 50%
• Preferential Sampling 50%
• Clathrate Structure 50%
• Dissolved CH4 50%

Engineering

• Methane 100%
• Hydrophobic 100%
• Computer Simulation Study 100%
• Potential Function 16%
• Binding Energy 16%
• Temperature Dependence 16%
• Interaction Energy 16%
• Radial Distribution 16%
• Theoretical Work 16%
• Hydrophobic Interaction 16%
• Clathrate Structure 16%

Chemistry

• Methane 100%
• Hydrophobic Effect 100%
• Binding Energy 16%
• Monte Carlo Method 16%
• Radial Distribution Function 16%
• Coordination Number 16%
• Clathrate 16%
• Distribution Function 16%
• Intermolecular Force 16%
• Hydrophobic Interaction 16%
• Quantum Mechanical Calculations 16%