2014
DOI: 10.4028/www.scientific.net/amr.1033-1034.939
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A Method for Prediction of Water Permeability through Polymers

Abstract: A calculation method for prediction of water permeability through polymers is suggested. An appropriate equation for calculating the activation free energy of permeability is proposed. The method is based on a set of atomic constants associated with the polymer-water interaction energy. The chemical structure of polymers as well as the degree of crystallininty, temperature, and free volume are taken into account. The method is also applicable for polymeric nanocomposites.

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Cited by 19 publications
(41 citation statements)
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“…The values of the van der Waals radii were taken from the reference. 13 The model of the repeating unit was placed in a box with the parameters equal to the maximum size of the repeating unit. By the method Monte Carlo, we designated the number of random points m that fall into repeating unit and the total number of tests M .…”
Section: Calculation Methodsmentioning
confidence: 99%
“…The values of the van der Waals radii were taken from the reference. 13 The model of the repeating unit was placed in a box with the parameters equal to the maximum size of the repeating unit. By the method Monte Carlo, we designated the number of random points m that fall into repeating unit and the total number of tests M .…”
Section: Calculation Methodsmentioning
confidence: 99%
“…If the process is limited by the diffusion rate, the kernel T 2 (τ) comes into play [12][13][14][15]:…”
mentioning
confidence: 99%
“…This must be allowed for by introducing an additional term into the equation for calculating the glass transition temperature, T g . For linear polymers (which, in contrast to polymer networks, are capable of flow) we use the following equation [2][3][4][5][6][7][8]: (1) where is the van der Waals volume of a repeating unit of the polymer, is the set of atomic constants for a repeating unit, and β is the number of polar groups localised on the surface of the nanoparticles per repeating unit of the polymer.…”
mentioning
confidence: 99%
“…The quantity M s is calculated using the following equation [2,3] Let us calculate the dependences of the glass transition temperature on all the parameters of the system (these parameters can be found in Table 1; polymer -PVC).…”
mentioning
confidence: 99%