Water vapor permeabilities through polymers: diffusivities from experiments and simulations

作者：Seethamraju Sindhu^*; Ramamurthy Praveen Chandrashekarapura; Madras Giridhar

来源：Materials Research Express, 2014, 1(3): 035301.

DOI：10.1088/2053-1591/1/3/035301

• molecular dynamics
• water vapor diffusivity
• cavity ring down spectroscopy
• water vapor transmission rate
• polymers

This study experimentally determines water vapor permeabilities, which are subsequently correlated with the diffusivities obtained from simulations. Molecular dynamics (MD) simulations were used for determining the diffusion of water vapor in various polymeric systems such as polyethylene, polypropylene, poly (vinyl alcohol), poly (vinyl acetate), poly (vinyl butyral), poly (vinylidene chloride), poly (vinyl chloride) and poly (methyl methacrylate). Cavity ring down spectroscopy (CRDS) based methodology has been used to determine the water vapor transmission rates. These values were then used to calculate the diffusion coefficients for water vapor through these polymers. A comparative analysis is provided for diffusivities calculated from CRDS and MD based results by correlating the free volumes.

• 出版日期2014-9