Theories based on free‐volume concepts have been developed to characterize the self and
mutual‐diffusion coefficients of low molecular weight penetrants in rubbery and glassy …

Membrane technology has emerged as a promising approach for various CO 2 capture
applications, including but not limited to hydrogen purification, natural gas processing …

A series of hydrogel membranes from chitosan (CS)/poly ether-block-amide (Pebax) blends
were prepared and utilized for CO 2 separation. The membranes were characterized by field …

We present results from detailed atomistic simulations concerning the structural,
conformational, dynamic, and barrier properties of the amorphous (glassy and melt) phases …

Diffusion of small molecules in amorphous polymers near the glass transition is a topic of
interest for a variety of technological applications. Within this study, the free volume theory …

Molecular dynamics simulations are performed to study the diffusion and permeation of
gases, including argon, nitrogen, methane, carbon dioxide, and propane, in polystyrene …

The main goal of this study is to develop an experimental toolbox to estimate the self-
diffusion coefficient of active ingredients (AI) in single-phase amorphous solid dispersions …

Using a fully atomistic force field for polydimethylsiloxane developed by Smith et al.[J. Phys.
Chem. B 2004, 108, 20340], we study the interfacial properties of polydimethylsiloxane …

A multidimensional transition state theory (TST) approach is formulated for the study of
elementary jumps involved in the diffusion of a gaseous penetrant in a glassy polymer …

Bio-derived polyethylene furanoate (PEF) has recently gained attention as a sustainable
alternative to polyethylene terephthalate (PET), amidst environmental concerns over fossil …