Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine

Keyphrases

• Phase Equilibria 100%
• Pyrimidine 100%
• Acetonitrile 100%
• Amides 100%
• Pyridine 100%
• Tertiary Amine 100%
• Secondary Amines 100%
• Nitriles 100%
• Nitrobenzene 100%
• Nitroalkanes 100%
• Methylamine 66%
• N-hexane 66%
• Nitroethane 66%
• Ethanol 33%
• Monte Carlo Simulation 33%
• Nitro 33%
• Methyl 33%
• Ethyl 33%
• Alkyl 33%
• Force Field 33%
• Binary Mixture 33%
• Interaction Parameter 33%
• Functional Groups 33%
• Dimethyl Ether 33%
• Dimethyl 33%
• Amine Functionality 33%
• Vapor-liquid Coexistence 33%
• Normal Boiling Point 33%
• Coexistence Curve 33%
• United Atom 33%
• Gibbs Ensemble 33%
• Separation Factor 33%
• Non-bonded Interactions 33%
• Propionitrile 33%
• Liquid Density 33%
• 1-Propanol 33%
• Reduction Temperature 33%
• Amide Functionality 33%
• Nitrile Functionality 33%
• Triethylamine 33%
• Acetamide 33%
• Critical Density 33%
• Diethylamine 33%
• Nitromethane 33%
• Butanamide 33%
• Propanamide 33%
• Configurational Bias Monte Carlo 33%
• One-component System 33%

Chemistry

• Phase Equilibria 100%
• Primary Amine 100%
• Tertiary Amine 100%
• Secondary Amine 100%
• Carboxamide 100%
• Nitroalkane 100%
• Acetonitrile 100%
• Nitrile 100%
• Nitrobenzene 100%
• Methylamine 66%
• Nitroethane 66%
• Hexane 66%
• Monte Carlo Method 33%
• Ethyl 33%
• Configurational Bias Monte Carlo 33%
• Propionitrile 33%
• Critical Density 33%
• Acetamide 33%
• Boiling 33%
• Hydrogen 33%
• Nitromethane 33%
• Statistical Ensemble 33%
• Critical Temperature 33%
• Diethyl Ether 33%
• Butanamide 33%

Chemical Engineering

• Amide 100%
• Acetonitrile 100%
• Nitrobenzene 100%
• Hexane 66%
• Propanol 33%
• Functional Group 33%