With a wide range of applications, from energy and environmental engineering, such as in
gas separations and water purification, to biomedical engineering and packaging, glassy …

Professor Giulio C. Sarti has provided outstanding contributions to the modelling of fluid
sorption and transport in polymeric materials, with a special eye on industrial applications …

Molecular modeling and simulations are invaluable tools for polymer science and
engineering, which predict physicochemical properties of polymers and provide molecular …

The hydrogen bond network (HBN) is of primary importance to the proton transport in Nafion.
However, the evolution of the HBN in Nafion with water content and the underlying …

The cation contamination is an important reason for the degradation of performance and
durability of Nafion membrane, but the contamination mechanism for cations with different …

Machine learning (ML) is having an increasing impact on the physical sciences,
engineering, and technology and its integration into molecular simulation frameworks holds …

Ion-containing polymers have continued to be an important research focus for several
decades due to their use as an electrolyte in energy storage and conversion devices …

The aggregation behavior of perfluorosulfonic acid (PFSA) ionomers in a solvent is crucial
for the fabrication of catalyst inks for fuel cell applications. In this study, we extended a …

We study the sensitivity and practicality of Henderson's theorem in classical statistical
mechanics, which states that the pair potential v (r) that gives rise to a given pair correlation …

Gas permeation through proton exchange membranes affects a fuel cell's electrochemical
performance. To understand the gas permeation mechanism, gas permeability and wide …