Abstract

In this paper, a molecular dynamic model for PVA hydrogel crosslinked by radiation is proposed. The rule of classification and statistical methods of water molecules in PVA hydrogel is formulated. Through molecular dynamic simulation, the content of non-freezing water, freezing water and free water in various cross-linking degree can be determined. The effect of cross-linking degree on the content of non-freezing water is also revealed by the simulation results. The results of molecular dynamic simulation show good agreements with the experimental data. Especially, it was shown that in a specific range of cross-linking degree, the content of non-freezing water in PVA hydrogel remains constant.

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