Cover Picture: Macromol. Theory Simul. 8∕2014

Abstract

Cover: The concentration‐induced morphologies and morphological transitions for the solvent‐state self‐assembly of rod‐coil‐rod triblock copolymers are investigated, and the rules of phase transition driven by the concentration are obtained. Further details can be found in the article by Y. Zhou,* S. Song, X.‐P. Long, C.‐Y. Zhang, and Y.‐M. Chen http://doi.wiley.com/10.1002/mats.201400025.

Temperature Dependence of Structural Properties and Chain Configurational Study: A Molecular Dynamics Simulation of Polyethylene Chains

“…The previous MD software package [31] is used in this work. The software package (Materials Studio v7.0) integrated the various advanced field of molecular simulation method and excellent modeling and visualization analysis tool in chemistry and materials science.…”

“…Recently, Xie et al [30] presented MD simulations of a chemically realistic model and a quasi freely rotating chain model for bulk atactic polystyrene and built a relation among the cage effect, the dynamic heterogeneity, and the configurational relaxation on time scales of aand b-relaxation processes. Previously, we have already investigated the temperature dependence of chain configurations of amorphous polypropylenes [31] by MD simulations. The microstructure information of the amorphous bulk or melt polypropylene chain system can be detected by the simulation.…”

“…The occurrence frequency of the isomeric state also can be used to locate the glass temperature. In the present work, we mainly focus on the simulation calculations for the amorphous polyethylene system by the same method used before [31] and try to investigate the configuration information around the glass transition.…”

Modeling and Simulation of Complex Polymerization Reactions

“…Analytic solution, if obtainable, is the most powerful and accurate method. Zhou presented the analytic equations for the radius of gyration of hyperbranched polymers, synthesized via polymerization of AB 2 ‐type monomer in the absence or the presence of multifunctional core initiator.…”

Self-assembly of rod-coil-rod triblock copolymers: A route toward hierarchical liquid crystalline structures

“…Currently, there are several investigations on the self-assembly of rod-coil-rod copolymers in dilute solutions and bulks by theoretical calculations and computer simulations. [41][42][43][44][45] Note that these studies are concentrated on the rod-coil-rod copolymers with identical kinds of two end rod blocks and hierarchical LC structures cannot be formed. Therefore, computer simulation study on the self-assembly of rod-coil-rod copolymers into hierarchical LC structures is still lacking.…”