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arXiv 2011.03225cond-mat.softphysics.chem-ph
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原始链网络模拟中无规交联网络的弹性

Elasticity of randomly cross-linked networks in primitive chain network simulations

Yuichi Masubuchi

AI总结:

本研究通过原始链网络模拟探究无规交联滑环网络的弹性,对比两种高分子弹性理论与模拟结果,指出理论拟合参数具模型依赖性,仅特定条件下拟合可得到系统缠结比例。

摘要:

针对无规交联滑环网络开展了原始链网络模拟。针对逾渗网络,将其应力-应变关系与Ball等人[Polymer, 22, 1010 (1981)]以及Rubinstein和Panyukov[Macromolecules, 35, 6670 (2002)]提出的理论进行了对比。若将交联点与滑环的贡献作为拟合参数,两种理论均能较好复现模拟结果,但这些参数具有模型依赖性。此外,若参数由逾渗网络中涉及的活性链节数量确定,理论无法描述模拟结果。这些结果表明,除非网络仅由高斯链段构成且正确达到自由能最小态,否则将实验数据拟合至这些理论无法得到系统中的缠结比例。

英文摘要:

Primitive chain network simulations for randomly cross-linked slip-link networks were performed. For the percolated networks, the stress-strain relationship was compared to the theories by Ball et al. [Polymer, 22, 1010 (1981)] and Rubinstein and Panyukov [Macromolecules, 35, 6670 (2002)]. The simulation results were reasonably reproduced by both theories, given that the contributions from cross-links and slip-links were used as fitting parameters. However, these parameters were model dependent. Besides, the theories cannot describe the simulation results if the parameters were determined from the number of active links involved in the percolated networks. These results reveal that the fitting of experimental data to the theories does not provide a fraction of entanglements in the system unless the network only consists of Gaussian strands and it correctly reaches the state of free-energy minimum.

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