Experimental and simulation studies of water molecule diffusion in polyvinyl butyral and its effect on thermal, insulating and mechanical properties

• Published in: Colloids and surfaces. A, Physicochemical and engineering aspects Vol. 704; p. 135382
• Main Authors: Wang, Huihui, Sun, Li, Zeng, Zuoxiang, Xue, Weilan
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05.01.2025
• Subjects: Mechanical property; Molecular dynamics simulation; Plasticizers; PVB; Water absorption; Plasticizers; Water absorption; Molecular dynamics simulation; PVB; Mechanical property
• ISSN: 0927-7757
• DOI: 10.1016/j.colsurfa.2024.135382

Water ingress can significantly affect the performance and long-term reliability of polyvinyl butyral (PVB) films. To predict the lifespan of PVB, the water absorption kinetics of pure PVB films and plasticized PVB films were studied. It was found that the Fick's model could fit the experimental data well, and the addition of plasticizer decreased the water absorption of PVB films. The binding process of pure PVB and plasticized PVB with water molecules was simulated using molecular dynamics, and the results showed that the simulation results were consistent with the experimental results. The effect of water molecules on the hydrogen bonding state of PVB was analyzed using FTIR, which showed that the wavelength of -OH in the PVB increased continuously with the decrease of its water content. In addition, it was found that the addition of water molecules significantly diminished the thermal, insulating and mechanical properties of PVB films. [Display omitted] •Experiments and molecular dynamics simulation were combined.•The adsorption process of water molecules on PVB and PVB/3G8 was simulated.•The entry of water degraded the thermal, insulating and mechanical properties of PVB.•Water adsorption on PVB films followed Fick's law of diffusion.•The addition of plasticizers reduced the water absorption of PVB films.