Mesoscopic description of solvent effects on polymer dynamics

Publication Type:

Journal Article

Authors:

Source:

Journal of Chemical Physics, Volume 124, Number 21 (2006)

URL:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-34547853743&doi=10.1063%2f1.2198201&partnerID=40&md5=0b904a5af42327514281068ba22e6876

Keywords:

Block copolymers, Frictional properties, Hydrodynamics, Intermolecular forces, Molecular dynamics, Multiparticle collision dynamics, Polymer collapse, Polymers, Solvents

Abstract:

Solvent effects on polymer dynamics and structure are investigated using a mesoscopic solvent model that accounts for hydrodynamic interactions among the polymer beads. The simulation method combines molecular dynamics of the polymer chain, interacting with the solvent molecules through intermolecular forces, with mesoscopic multiparticle collision dynamics for the solvent molecules. Changes in the intermolecular forces between the polymer beads and mesoscopic solvent molecules are used to vary the solvent conditions from those for good to poor solvents. Polymer collapse and expansion dynamics following changes in solvent conditions are studied for homopolymer and block copolymer solutions. The frictional properties of polymers are also investigated. © 2006 American Institute of Physics.

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