A modified free-volume-based model for predicting vapor–liquid and solid–liquid equilibria for size asymmetric systems

Mass transport and high barrier properties of food packaging polymers

“…For a comprehensive review on the topic (equation-of-state models before 2000) please consult Wei and Sadus (2000). Examples of models that, for sake of space, we have not considered include the UNIFAC and/or free-volume-based models (Rolker et al, 2007;Radfarnia et al, 2005;Wibawa and Widyastuti, 2009;Wang 2007;Serna et al, 2008).…”

Classical and recent free-volume models for polymer solutions: A comparative evaluation

“…Following the Kannan et al [5] approach, we present here a modified version of the Freed-FV expression [19,20,8] towards improving the results for aqueous polymer solutions. This is done upon subtracting from Freed-FV the original Freed FH combinatorial expression based on the hard-core volume [21]:…”

“…The case of the paints and coatings industry can be mentioned as a typical example. UNIFAC-based models which are successful for polymers account for the free-volume differences between polymers and solvents and numerous such models have been presented in the literature [3][4][5][6][7][8][9][10][11][12][13][14]. In these models, typically the UNIFAC energetic parameters of the residual term are not reestimated using the new combinatorial/FV terms; thus original UNIFAC parameter tables are used.…”

“…Much improved results are obtained compared to the original UNIFAC-FV. Another successful model presented in our previous work [8], the Freed-FV, was shown to be flexible and provide satisfactory results for a large range of athermal and non-athermal asymmetric systems. Less satisfactory results were obtained for aqueous solutions and thus a modification in the line of Kannan-FV is proposed here.…”

Influences of van der waals volume of substitute groups on CO2 permselectivity of polyimide‐A molecular simulation study

“…Until now, a qualitative relationship between T g and permeability has been widely accepted, and that is the lower T g corresponding to the higher permeability for glassy polymer materials. [7][8][9][10] In recent years, a quantitative correlation between FFV and gas diffusion coefficients has been established, [11][12][13][14][15] and it reflects that high FFV of glassy polymer materials is preferred to provide more network space for gas transport. It is well known that the substitute group is generally expressed by the structural scheme rather than a quantitative index.…”