Comprehensive modelling strategy for gas transport in polymers: Analysis of swelling and non-swelling agents at high pressures

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2024-12-10 DOI:10.1016/j.fluid.2024.114311

Roberta Di Carlo , Eleonora Ricci , Matteo Minelli

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Abstract

Gas transport in polymers is a process governed by the interplay between polymeric structure, gas properties, and operating conditions. This work analyzes the solubility and transport properties of different gases in five different industrially relevant polymeric systems, such as Matrimid/P84 polyimide blends, perfluorosulfonic acid membrane (PFSA) Nafion, as well as natural rubber (NR), silicone rubber (PDMS) and a fluorinated rubber (FKM), using a thermodynamic modeling framework, with focus on high-pressure conditions. Specifically, equations of state (EoS) and non-equilibrium thermodynamic for glassy polymers (NET-GP) approaches are able to describe gas solubility, and are combined to the Standard Transport Model (STM) to estimate diffusivity and permeability at various temperatures and pressures, with emphasis on the comparison of swelling and non-swelling penetrants, free-volume variations, and plasticization phenomena.

The results obtained reveal the ability of the models to describe the complex experimental behaviors, including challenging systems, such as glassy polymer blends or PFSA membranes. A thorough analysis of the gas transport and sorption properties in the different systems with the penetrant characteristics and with the polymer response to sorption is then performed to elucidate the prevailing effect shaping the behavior of the various systems. Therefore, the model proved to be a powerful tool to inspect the high-pressure induced changes in gas transport, and to predict the solubility and permeability properties in a wide range of conditions.

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来源期刊

Fluid Phase Equilibria 工程技术-工程：化工

CiteScore

5.30

自引率

15.40%

发文量

223

审稿时长

53 days

期刊介绍： Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.