Novel configurational-bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United-atom description of branched alkanes

Engineering & Materials Science

• Phase equilibria 100%
• Paraffins 94%
• Monte Carlo methods 88%
• Atoms 85%
• Molecules 80%
• Carbon 31%
• Vapors 27%
• Liquids 20%
• Density of liquids 15%
• Isomers 15%
• Vapor pressure 12%
• Density (specific gravity) 12%
• Temperature 8%
• Hydrogen 8%
• Fluids 6%

Chemical Compounds

• Monte Carlo Method 87%
• Phase Equilibria 81%
• Alkane 69%
• Force 46%
• Second Virial Coefficient of the Equation of State 36%
• Critical Temperature 32%
• Molecule 28%
• Statistical Ensemble 27%
• Carbon Atom 25%
• Saturated Liquid 20%
• Saturated Vapour 18%
• Specific Density 16%
• Vapor Pressure 13%
• Compound Isomer 9%
• Simulation 8%
• Hydrogen 6%
• Reaction Yield 5%

Physics & Astronomy

• alkanes 91%
• Monte Carlo method 75%
• field theory (physics) 52%
• molecules 43%
• atoms 41%
• carbon 27%
• virial coefficients 24%
• vapors 23%
• liquids 21%
• critical temperature 18%
• curves 16%
• methylene 12%
• rejection 10%
• vapor pressure 10%
• isomers 10%
• simulation 7%
• trends 7%
• deviation 7%
• hydrogen 6%
• fluids 6%
• interactions 4%