Multichain Slip-Spring Simulations for Branch Polymers

• DOI: 10.1021/acs.macromol.8b01739
• Publication Date: 2018-12-04T19:26:51Z
• Authors: Yuichi Masubuchi
• Keywords: Branching (polymer chemistry); Chain (unit)

Although the tube models have attained remarkable success, development of a simulation method for entangled branch polymer dynamics is still challenge. In this study, multichain slip-spring model has been examined to polymers first time. model, bead–spring chains are dispersed in box, and entanglement mimicked by virtual spring, so-called slip-spring, which connects hops along chain. The slip-springs created destructed only at chain ends. Besides, relaxation entanglements formed between backbone polymers, hopping across point (SHAB) additionally allowed when branching arm relaxes. results symmetric asymmetric star H semiquantitative agreement with experimental earlier data extracted from literature. proposed compatible scarcely systems, due computational difficulties test against well-entangled systems remained unperformed, details SHAB implementation remain open.