Scaling in polyelectrolyte networks
Scaling in polyelectrolyte networks
复制标题
聚电解质网络的缩放
DOI：
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发表时间：
2004
期刊：
影响因子：
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通讯作者：
K. Kremer
中科院分区：
文献类型：
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作者：
B. Mann;R. Everaers;Christian Holm;K. Kremer
利用尺度参数，通过粗粒度模型的分子动力学模拟研究了交联聚电解质凝胶的平衡膨胀行为；在θ-点和良好的溶剂条件下，考虑了具有类金刚石拓扑的珠簧无缺陷网络，其中对偶离子进行了明确的处理。许多系统涵盖了强和极弱带电凝胶的范围，其网络链为Nm = 39，…，分别检测了259个单体的两种溶剂性质。我们将所得结构与描述此类系统膨胀行为的力学理论进行比较，这些系统在考虑了电荷重整化之后，可以成功地应用于我们的测量数据。
Using scaling arguments, the equilibrium swelling behaviour of a cross-linked polyelectrolyte gel has been investigated by means of molecular-dynamics simulations of a coarse-grained model; a bead-spring defect-free network with diamond-like topology was considered at the θ-point and under good solvent conditions, where the counterions were treated explicitly. A multitude of systems covering the range between strongly and very weakly charged gels with network chains bearing Nm = 39,...,259 monomers each were examined for both solvent qualities. We compare the resulting structures with mechanical theories describing the swelling behaviour of such systems which, after taking charge renormalization into account, can then be successfully applied to our measured data.