title: Dissipative particle dynamics simulations of polymersomes.
abstract: A DPD model of PEO-based block copolymer vesicles in water is developed by introducing a new density based coarse graining and by using experimental data for interfacial tension. Simulated as a membrane patch, the DPD model is in excellent agreement with experimental data for both the area expansion modulus and the scaling of hydrophobic core thickness with molecular weight. Rupture simulations of polymer vesicles, or "polymersomes", are presented to illustrate the system sizes feasible with DPD. The results should provide guidance for theoretical derivations of scaling laws and also illustrate how spherical polymer vesicles might be studied in simulation.
authors.affiliation: Max Planck Institute of Colloids and Interfaces Golm, D-14424 Potsdam, Germany. vaortiz@seas.upenn.edu
authors.forename: Vanessa
authors.initials: V
authors.lastname: Ortiz
authors.forename: Steven O
authors.initials: SO
authors.lastname: Nielsen
authors.forename: Dennis E
authors.initials: DE
authors.lastname: Discher
authors.forename: Michael L
authors.initials: ML
authors.lastname: Klein
authors.forename: Reinhard
authors.initials: R
authors.lastname: Lipowsky
authors.forename: Julian
authors.initials: J
authors.lastname: Shillcock
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004548:Elasticity; D008051:Lipid Bilayers; D008567:Membranes, Artificial; D008956:Models, Chemical; D008970:Molecular Weight; D053758:Nanoparticles / Q000737:chemistry*; D010743:Phospholipids / Q000737:chemistry*; D055585:Physical Phenomena; D010825:Physics; D011092:Polyethylene Glycols / Q000737:chemistry
chemical_list: D008051:Lipid Bilayers; D008567:Membranes, Artificial; D010743:Phospholipids; D011092:Polyethylene Glycols