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两种接枝聚电解质聚合物水凝胶在接触压力下的离散模型研究。

Discrete model studies of two grafted polyelectrolyte polymer hydrogels pressed in contact.

机构信息

Physics Department and Center for Interdisciplinary Research in Complex Systems, Northeastern University, Boston, Massachusetts 02115, USA.

出版信息

J Chem Phys. 2013 Oct 14;139(14):144902. doi: 10.1063/1.4823773.

Abstract

The interaction between two grafted polymer gels was investigated. We studied a defect-free network of diamond-like topology containing 8 tetra-functional nodes linked by 16 non-crossing chains. In order to explain the very low friction coefficient observed for polyelectrolyte hydrogels, we computed the monomer density profile of these polymer gels, the interpenetration between two polymer gels (defined as the percentage of monomers belonging to one gel which have penetrated the second gel), the normal force per unit area, and the radial distribution function of the interacting monomers. Low monomer density in the interface region separating the two gels and low interpenetration of the gels similar to that found in our simulations are likely to be responsible for the small friction coefficients observed for polyelectrolyte polymer gels.

摘要

研究了两种接枝聚合物凝胶的相互作用。我们研究了一个无缺陷的类金刚石拓扑网络,其中包含 8 个四官能团节点,由 16 条不交叉的链连接。为了解释观察到的聚电解质水凝胶的极低摩擦系数,我们计算了这些聚合物凝胶的单体密度分布、两种聚合物凝胶之间的互穿(定义为属于一个凝胶的单体中有多少百分比已经穿透第二个凝胶)、单位面积的法向力以及相互作用单体的径向分布函数。在两个凝胶分离的界面区域中单体密度低,凝胶之间的互穿低,类似于我们的模拟结果,这可能是聚电解质聚合物凝胶观察到的小摩擦系数的原因。

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