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タイトル: | Structure of entangled polymer network from primitive chain network simulations |
著者: | Masubuchi, Yuichi Uneyama, Takashi Watanabe, Hiroshi https://orcid.org/0000-0003-0826-2454 (unconfirmed) Ianniruberto, Giovanni Greco, Francesco Marrucci, Giuseppe |
キーワード: | Brownian motion polymers rheology |
発行日: | Apr-2010 |
出版者: | AMER INST PHYSICS |
誌名: | JOURNAL OF CHEMICAL PHYSICS |
巻: | 132 |
号: | 13 |
論文番号: | 134902 |
抄録: | The primitive chain network (PCN) model successfully employed to simulate the rheology of entangled polymers is here tested versus less coarse-grained (lattice or atomistic) models for what concerns the structure of the network at equilibrium (i.e., in the absence of flow). By network structure, we mean the distributions of some relevant quantities such as subchain length in space or in monomer number. Indeed, lattice and atomistic simulations are obviously more accurate, but are also more difficult to use in nonequilibrium flow situations, especially for long entangled polymers. Conversely, the coarse-grained PCN model that deals more easily with rheology lacks, strictly speaking, a rigorous foundation. It is therefore important to verify whether or not the equilibrium structure of the network predicted by the PCN model is consistent with the results recently obtained by using lattice and atomistic simulations. In this work, we focus on single chain properties of the entangled network. Considering the significant differences in modeling the polymer molecules, the results here obtained appear encouraging, thus providing a more solid foundation to Brownian simulations based on the PCN model. Comparison with the existing theories also proves favorable. |
著作権等: | Copyright 2010 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in JOURNAL OF CHEMICAL PHYSICS132, 134902 (2010) and may be found at |
URI: | http://hdl.handle.net/2433/147217 |
DOI(出版社版): | 10.1063/1.3370346 |
PubMed ID: | 20387955 |
関連リンク: | http://link.aip.org/link/JCPSA6/v132/i13/p134902/s1 |
出現コレクション: | 学術雑誌掲載論文等 |
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