Predicting Hydrophobic Solvation by Molecular Simulation – New United-Atom Model for Hydrocarbons


Solvation and partition properties assume fundamental importance in many fields, including pharmaceutical, oil and gas, environmental, and bioengineering [1]. Traditionally, such properties are predicted using empirical, group... [ view full abstract ]


  1. Miguel Jorge (University of Strathclyde)

Topic Areas

Advances in molecular simulation , Challenges and advances in fluid phase equilibria


P1 » Poster Session I & Evening Reception (18:30 - Tuesday, 5th September, John McIntyre Conference Centre )

Presentation Files

The presenter has not uploaded any presentation files.