The calculation scheme for estimation of the water permeability through polymers and copolymers

A calculation scheme for prediction of the water permeability through polymers has been developed. A relationship for determining the activation energy of the permeation process has been proposed. The calculation is based on a set of summarized atomic constants with consideration for the chemical structure of the polymer, the degree of crystallinity, temperature, and the free (empty) volume. The method is computerized. The computer program makes it possible to solve not only the problem of estimating the polymer properties on the basis of the chemical structure of the repeating unit but also the inverse problem of searching for polymer structures with the given permeability range.