Molecular Simulations of Vapor-Liquid Equilibrium of Isocyanates

Engineering & Materials Science

• Phase behavior 85%
• Phase equilibria 80%
• Vapor pressure 60%
• Atoms 34%
• Molecular structure 21%
• Equations of state 19%
• Molecular dynamics 18%
• Parameterization 17%
• Electric sparks 16%
• Thermodynamic properties 15%
• Vapors 14%
• Thermodynamics 14%
• Viscosity 13%
• Liquids 11%
• Computer simulation 9%
• Industry 7%
• Temperature 6%

Chemical Compounds

• Isocyanate 67%
• Phase Equilibria 65%
• Simulation 42%
• Force 33%
• Phase Behavior 32%
• Methyl Isocyanate 27%
• Vapor Pressure 24%
• Hexyl Isocyanate 15%
• Ethyl Isocyanate 14%
• Hexamethylene Diisocyanate 11%
• Equation of State 9%
• Thermodynamic Property 7%
• Molecular Dynamics 6%
• Industry 6%
• Molecular Structure 5%
• Thermodynamics 5%
• Mixture 3%
• Application 2%

Physics & Astronomy

• isocyanates 100%
• liquid-vapor equilibrium 79%
• field theory (physics) 36%
• simulation 25%
• vapor pressure 18%
• diisocyanates 9%
• parameterization 6%
• molecular structure 6%
• sparks 6%
• atoms 6%
• liquid phases 5%
• industries 5%
• equations of state 5%
• thermodynamic properties 4%
• vapors 4%
• viscosity 4%
• molecular dynamics 4%
• thermodynamics 4%
• predictions 3%
• performance 2%
• temperature 1%