Phase equilibrium modeling of mixtures containing conformationally flexible molecules with the COSMO-SAC model

Engineering & Materials Science

• Computer simulation 10%
• Conformations 24%
• Derivatives 64%
• Glycols 100%
• Molecular dynamics 44%
• Molecular structure 50%
• Molecules 76%
• Phase behavior 50%
• Phase equilibria 95%
• Sampling 13%
• Solubility 21%
• Solvation 31%

Chemical Compounds

• Environment 11%
• Glycol 72%
• Mixture 34%
• Molecular Dynamics 28%
• Molecular Structure 27%
• Molecule 27%
• Mutual Solubility 27%
• Phase Behavior 38%
• Phase Equilibrium 91%
• Sampling 16%
• Simulation 12%
• Solvation 16%

Physics & Astronomy

• deviation 13%
• glycols 83%
• molecular dynamics 28%
• molecular structure 41%
• molecules 41%
• sampling 16%
• simulation 7%
• solubility 17%
• solvation 21%