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Molecular Dynamics Study of H2O Molecular Diffusion Behavior in PAM/PVA Polymer Blends

The theoretical method of molecular dynamics was applied to study H2O molecular diffusion behavior in PAM/PVA Polymer blends, investigated the effects of component ratios, temperatures and water contents on diffusion coefficient. Results show that with the increase of PVA content in blend systems, the H2O molecule diffusion coefficient first increased and then decreased. This indicates there is an optimum component ratio to make the H2O molecule diffusion coefficient maximum. There is a certain influence of temperature on H2O molecular diffusion in PAM/PVA blend system, the higher the temperature, the bigger the H2O molecular diffusion coefficient. When the less H2O molecules contained in system, there is a less impact on the diffusion coefficient. As the number of H2O molecules reaches a certain amount, the effect on the diffusion coefficient is more obvious.