Abstract: The diffusion characteristics of spherical solute in the network of polymer gel were studied based on the three-dimension network model of gel,in which the effect of the interaction between the solute and fibers of gel was taken into account.It was found that the movement of solute in gel is quite different from the Brownian movement in free solution.The difference increased with the solute size.A Significaut effect of the interaction between solute and gel fiber on the movement of solute molecule was also observed.Attraction and repulse both hindered the diffusion obviously.Decreasing the size of the solute and increasing the interaction would enhance the hindering effect markedly.

摘要： 基于凝胶的三维网络模型 ,利用MonteCarlo模拟研究了凝胶网络中溶质分子的扩散特性 ,考察溶质分子与网络纤维之间引力和斥力对溶质分子扩散特性的影响 .发现凝胶网络中溶质分子的运动不是Markoff过程 ,具有明显的相关性 .溶质分子越大 ,其运动的异常扩散指数越大 ,相关性越强 .当溶质分子和凝胶网络纤维之间存在引力和斥力等相互作用时 ,溶质分子的运动受到明显阻滞 ,扩散系数显著降低 .增强相互作用和减小溶质分子尺寸均可增强相互作用对溶质分子扩散的阻滞作用