描述凝胶化过程的修正CCA模型

K. Ohno, Y. Kawazoe
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引用次数: 8

摘要

为了模拟溶液中通过缩聚反应发生的凝胶化过程,通过引入四官能团和两官能团作为单体,对团簇-团簇聚集(CCA)模型进行了改进。修正的CCA模型表明,所得凝胶结构的分形维数明显依赖于四官能团和两官能团的数量之比。该模型应适用于各种实际系统。例如,它解释了实验发现的分形维数的行为,这取决于在SiO2体系的溶胶-凝胶聚集过程中加入的水量。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A modified CCA model describing gelation processes

In order to simulate a gelation process that occurs by condensation-polymerization reactions in solution, the cluster–cluster aggregation (CCA) model is modified by introducing four- and two-functional units as monomers. The modified CCA model shows a clear dependence of the fractal dimension of the resulting gel structure on the ratio between the numbers of the four- and two-functional units. The model should be applicable to various real systems. For example, it explains the behavior of experimentally found fractal dimension that depends on the amount of water added in the sol–gel aggregation process of SiO2 systems.

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