![]()
New controlled release systems produced by self-assembly of biopolymers and colloidal particles at fluid-fluid interfaces
We review the methodology, algorithmic implementation and performance characteristics of a hierarchical modeling scheme for the generation, equilibration and topological analysis of polymer systems at various levels of molecular description: from atomistic polyethylene samples to random packings of freely-jointed chains of tangent hard spheres of uniform size. Our analysis focuses on hitherto less discussed algorithmic details of the implementation of both, the Monte Carlo (MC) procedure for the system generation and equilibration, and a postprocessing step, where we identify the underlying topological structure of the simulated systems in the form of primitive paths. In order to demonstrate our arguments, we study how molecular length and packing density (volume fraction) affect the performance of the MC scheme built around chain-connectivity altering moves. In parallel, we quantify the effect of finite system size, of polydispersity, and of the definition of the number of entanglements (and related entanglement molecular weight) on the results about the primitive path network. Along these lines we approve main concepts which had been previously proposed in the literature. [hide]
Scientific Board
Andreas Bausch
TU Munich, Germany ►
Peter Fischer
ETH Zurich, Switzerland ►
Anne-Marie Hermansson
SIK, Sweden ►
Martin Kroger
ETH Zurich, Germany/Switzerland ►
Erik van der Linden
Wageningen UR, The Netherlands ►
Niklas Loren
SIK, Sweden ►
Leonard Sagis
Wageningen UR, The Netherlands ►
Erich Windhab
ETH Zurich, Switzerland ►
Klaas-Jan Zuidam
Unilever, The Netherlands ►
Scientific Stuff
Manuela Duxenneuner
ETH Zurich, Switzerland ►
Sophia Fransson
SIK, Sweden ►
Nam-Phuong Humblet-Hua
Wageningen UR, The Netherlands ►
Joeska Husny
ETH Zurich, Australia/Switzerland ►
Orit Peleg
ETH Zurich, Israel/Switzerland ►
Cyrille Vezy
TU Munich, Germany ►
Varvara Mitropoulos
ETH Zurich, Switzerland ►
Associated Scientists
![]()
Enjoy your reading
SY Tee, AR Bausch, PA Janmey,
The mechanical cell
CURRENT BIOLOGY 19 (2009) R745 ►Selected conferences (co-)organized by project members
8th World Congress on Computational Mechanics WCCM8 2008
30 June - 5 July 2007, Venice, Italy ►13 May 2025
mk