Article ID Journal Published Year Pages File Type
6619641 Fluid Phase Equilibria 2015 29 Pages PDF
Abstract

- A framework to obtain accurate coarse-grained force fields is described.
- Force field parameters are presented for compounds of interest.
- A methodology to simulate bubble points of complex mixtures is proposed.
- The force fields are shown to be robust and transferrable.
Related Topics
Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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