title: Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs.
abstract: We report a multi-chain approach for dissipative particle dynamics where the uncrossability constraints of polymer chains are mimicked by temporary cross-links, so-called slip-springs. The conformational statistics of the chains are not affected by the introduction of slip-springs. Dynamical properties such as mean square displacements, diffusion coefficient, and longest relaxation time are in good agreement with the results of reptation theory. According to our analysis, the present formalism is 500 times faster and requires 7 times fewer beads than conventional generic polymer models employing Newtonian dynamics and excluded-volume potentials.
authors.affiliation: Eduard-Zintl-Institut für Anorganische und Physikalische Chemie and Center of Smart Interfaces, Technische Universität Darmstadt, Petersenstr. 20, D-64287 Darmstadt, Germany. m.langeloth@theo.chemie.tu-darmstadt.de
authors.forename: Michael
authors.initials: M
authors.lastname: Langeloth
authors.forename: Yuichi
authors.initials: Y
authors.lastname: Masubuchi
authors.forename: Michael C
authors.initials: MC
authors.lastname: Böhm
authors.forename: Florian
authors.initials: F
authors.lastname: Müller-Plathe