Thermodynamic properties of the 1-butyl-3-methylimidazolium mesilate ionic liquid [C₄mim][OMs] in condensed phase, using molecular simulations

Chemistry

• 1-Butyl-3-Methylimidazolium 77%
• Thermodynamic Property 64%
• Ionic Liquid 54%
• Force 48%
• Simulation 45%
• Vaporization 22%
• Electrostatic Charge 19%
• Dielectric Constant 19%
• Heat 16%
• Dihedral Angle 12%
• Static Dielectric Constant 11%
• Phase Property 9%
• Radial Distribution Function 8%
• Electrostatic Potential 7%
• Heat Capacity 7%
• Phase Equilibria 7%
• Transport Property 6%
• Ab Initio Calculation 6%
• Solvation 6%
• Gibbs Free Energy 5%
• Polarization 5%
• Molecular Dynamics 5%
• Pressure 4%
• Energy 3%
• Solvent 3%
• Application 2%

Engineering & Materials Science

• Ionic liquids 100%
• Thermodynamic properties 67%
• Permittivity 36%
• Vaporization 31%
• Electrostatics 28%
• Dihedral angle 27%
• Surface tension 19%
• Solvation 14%
• Dimers 13%
• Hot Temperature 13%
• Conformations 11%
• Transport properties 11%
• Phase equilibria 10%
• Free energy 10%
• Molecular dynamics 10%
• Structural properties 9%
• Parameterization 9%
• Specific heat 9%
• Atoms 9%
• Distribution functions 9%
• Polarization 8%
• Viscosity 7%
• Computer simulation 4%

Physics & Astronomy

• field theory (physics) 73%
• thermodynamic properties 58%
• liquids 38%
• heat of vaporization 30%
• simulation 27%
• permittivity 20%
• electrostatic charge 19%
• dihedral angle 18%
• interfacial tension 12%
• methodology 11%
• inclusions 11%
• liquid-vapor equilibrium 8%
• parameterization 8%
• solvation 7%
• radial distribution 7%
• density distribution 6%
• diffusivity 6%
• dimers 6%
• free energy 5%
• transport properties 5%
• distribution functions 5%
• specific heat 5%
• electrostatics 5%
• viscosity 5%
• molecular dynamics 5%
• curves 3%
• polarization 3%
• atoms 3%
• energy 2%