Evaluating the transferability of coarse-grained, density-dependent implicit solvent models to mixtures and chains

Previously, we described a coarse-graining method for creating local density-dependent implicit solvent (DDIS) potentials that reproduce the radial distribution function (RDF) and solute excess chemical potential across a range of particle concentrations [ E. C. Allen and G. C. Rutledge, J. Chem. Ph...

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Bibliographic Details
Main Authors: Allen, Erik C., Rutledge, Gregory C.
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:en_US
Published: American Institute of Physics 2012
Online Access:http://hdl.handle.net/1721.1/68988
https://orcid.org/0000-0001-8137-1732