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

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(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.

Topics 

Thermodynamics
Physical Properties

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