Dissipative particle dynamics simulations of polymersomes.
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.
Ortiz
Vanessa
V
Max Planck Institute of Colloids and Interfaces Golm, D-14424 Potsdam, Germany. vaortiz@seas.upenn.edu
Nielsen
Steven O
SO
Discher
Dennis E
DE
Klein
Michael L
ML
Lipowsky
Reinhard
R
Shillcock
Julian
J
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
D008051:Lipid Bilayers; D008567:Membranes, Artificial; D010743:Phospholipids; D011092:Polyethylene Glycols