【摘要】 采用带电柔性硬球链近似链状聚离子，从微扰理论和离子缔合理论出发，建立了链状聚电解质溶液的分子热力学模型，并引入聚离子与反离子间的缔合以计及短程作用。成功地计算了聚电解质溶液的热力学性质，所得结果与计算机模拟数据、实验结果相吻合。更多还原

【Abstract】 The linear flexible polyions are mimicked as flexible charged hard-sphere chains, andthe molecular thermodynamic model is established combining perturbation theory and sticky electrolytemodel. Beyond the electrostatic potential, the additional stickiness between polyions and counterions istaken into account as short-range non-coulombic interaction. The thermodynamic properties for modelsolutions and real systems are calculated, and satisfactory agreements among the calculated results bypresent model, those from computer simulation and experimental results are observed.更多还原