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Updated: Jan 19, 2026
Anionic Polymerization of an Amphiphilic Copolymer for Preparation of Block Copolymer Micelles Stabilized by π-π Stacking Interactions
Published on: October 10, 2016
Simulation of diblock copolymer surfactants. I. Micelle free energies
Joshua A Mysona1, Alon V McCormick1, David C Morse1
1Department of Chemical Engineering and Materials Science, University of Minnesota, 421 Washington Ave. SE, Minneapolis, Minnesota 55455, USA.
Abstract:
Semigrand hybrid Monte Carlo simulations are used to measure equilibrium properties of micelles formed in a simple bead-spring model of asymmetric A-B diblock copolymer surfactant molecules in an A homopolymer solvent, over a range of values of surfactant solubility. Simulations are used to accurately measure the free energy of formation of micellar clusters as a function of aggregation number over a wide range of values, and to characterize the crossover from spherical to rodlike micelle shape with increasing aggregation number. Dynamical properties of the same model are considered in an accompanying paper [Phys. Rev. E 100, 012603 (2019)10.1103/PhysRevE.100.012603].
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