Atomistic Molecular Dynamics Simulations of Carbon Dioxide Diffusivity in n -Hexane, n -Decane, n -Hexadecane, Cyclohexane, and Squalane

Physics & Astronomy

• cyclohexane 80%
• alkanes 76%
• carbon dioxide 70%
• hydrocarbons 64%
• diffusivity 63%
• diffusion coefficient 56%
• molecular dynamics 49%
• gyration 26%
• simulation 26%
• molecules 24%
• field theory (physics) 23%
• atoms 23%
• pressure dependence 23%
• transport properties 18%
• viscosity 16%
• optimization 15%
• radii 14%
• interactions 9%
• temperature 6%

Engineering & Materials Science

• Cyclohexane 100%
• Hexane 94%
• Paraffins 78%
• Molecular dynamics 77%
• Carbon dioxide 63%
• Hydrocarbons 60%
• Atoms 47%
• Molecules 44%
• Computer simulation 37%
• Transport properties 28%
• Viscosity 18%
• Temperature 9%

Chemical Compounds

• Cyclohexane 62%
• Diffusion Coefficient 59%
• Carbon Dioxide 53%
• Molecular Dynamics 50%
• Hydrocarbon 48%
• Simulation 43%
• Pair Correlation Function 34%
• Torsional Potential 33%
• Radius of Gyration 26%
• Pressure 26%
• Transport Property 21%
• Molecule 15%
• Force 15%