First principles models of the interactions of methane and carbon dioxide

Keyphrases

• Carbon Dioxide 100%
• Methane 100%
• Ab Initio Calculations 100%
• First-principles Method 100%
• CH4-CO2 50%
• Non-additive Interactions 50%
• Potential Energy Surface 50%
• Lennard-Jones Potential 50%
• Phase Properties 50%
• Phase Coexistence 50%
• Dispersion Term 50%
• Coexistence Curve 50%
• Trimer 50%

Chemistry

• First Principle 100%
• Carbon Dioxide 100%
• Methane 100%
• Carbon Dioxide 33%
• Ab Initio Calculation 33%
• Potential Energy Surface 16%
• Lennard-Jones Potential 16%

Material Science

• Carbon Dioxide 100%
• Ab Initio Calculation 66%
• Mechanical Strength 33%
• Surface Energy 33%