Molecular dynamics study of 2,2′-difurylmethane and n-propanol binary mixture

Engineering & Materials Science

• Propanol 100%
• Binary mixtures 88%
• Density (specific gravity) 82%
• Molecular dynamics 76%
• Atoms 70%
• Molecules 66%
• Thermodynamic properties 47%
• Distribution functions 35%
• Hydrogen 27%
• Hydrogen bonds 23%
• Vaporization 19%
• Compressibility 19%
• Structural properties 18%
• Enthalpy 17%
• Electrons 17%
• Oxygen 13%
• Chemical analysis 11%
• Computer simulation 9%
• Experiments 6%

Physics & Astronomy

• binary mixtures 70%
• molecular dynamics 49%
• thermodynamic properties 41%
• molecules 36%
• radial distribution 35%
• atoms 34%
• hydrogen 31%
• distribution functions 26%
• coordination number 19%
• compressibility 16%
• center of mass 16%
• enthalpy 15%
• rings 11%
• oxygen 10%
• electrons 7%
• interactions 6%
• simulation 6%

Chemical Compounds

• Molar Volume 70%
• Thermodynamic Property 60%
• Radial Distribution Function 55%
• Hydrogen 34%
• Isothermal Compressibility 32%
• Enthalpy of Vaporization 30%
• Mixture 29%
• Furan 21%
• Molecular Dynamics 16%
• Molecular Cluster 14%
• Simulation 14%
• Dioxygen 11%