2010 Annual Meeting

(686g) Development of the TraPPE-CG Force Field

Authors

Maerzke, K. A. - Presenter, Vanderbilt University
Ferreira Garrido, N. M. - Presenter, University of Minnesota
Economou, I. G. - Presenter, The Petroleum Institute
Siepmann, J. - Presenter, University of Minnesota-Twin Cities


The parameterization process for the TraPPE-CG force field is described and initial results for single- and multi-component phase equilibria are presented.