2007 Annual Meeting

(62e) Use Of The Gibbs Ensemble Monte Carlo Approach For The Calculation Of Gibbs Free Energies Of Transfer And Henry's Law Constants

Authors

Rafferty, J. L. - Presenter, University of Minnesota
Anderson, K. E. - Presenter, University of Minnesota
Zhang, L. - Presenter, University of Minnesota


The Gibbs ensemble Monte Carlo approach enables the precise determination of phase transfer properties and does not suffer from systematic sampling problems encountered in common free energy approaches. This talk will highlight applications to chromatographic systems and supercritical solvents.