Bulletin of the American Physical Society
APS March Meeting 2010
Volume 55, Number 2
Monday–Friday, March 15–19, 2010; Portland, Oregon
Session A18: Focus Session: Multiscale Modeling in Polymer and Soft Matter Physics
8:00 AM–11:00 AM,
Monday, March 15, 2010
Sponsoring Units: DPOLY DCOMP
Chair: Mesfin Tsige, University of Illinois at Carbondale
Abstract ID: BAPS.2010.MAR.A18.4
Abstract: A18.00004 : Structure, Self-assembly, Solvation, and Phase Equilibria in Hydrogen-bonding Fluids*
8:36 AM–9:12 AM
Preview Abstract Abstract
J. Ilja Siepmann
(University of Minnesota)
This talk will focus on applications of efficient particle-based simulation methods and accurate force fields to obtain molecular-level insights on structure and solvation in complex chemical systems. These simulations help to reconcile often conflicting views based on macroscopic measurements. In particular, the following applications will be discussed: (i) aggregation of alcohols in dilute solutions, (ii) influence of water saturation on structure and solvation in 1-octanol, and (iii) retention in reversed-phase liquid chromatography.
*Research support from the National Science Foundation is gratefully acknowledged.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2010.MAR.A18.4
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