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

Abstract:

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.

• Periodical: Advanced Materials Research (Volume 1119)
• Pages: 268-272
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1119.268
• Online since: July 2015
• Authors: Qing Hua Wei, Ya Nen Wang*, Ming Ming Yang, Wei Hong Chai, Ying Feng Zhang
• Keywords: Diffusion Coefficient, Free Volume, Molecular Dynamics, Polyacrylamide, Polyvinylalcohol

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