Articles with "modelling across" as a keyword



Modelling across Multiple Scales to Design Biopolymer Membranes for Sustainable Gas Separations: 1—Atomistic Approach

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Published in 2023 at "Polymers"

DOI: 10.3390/polym15071805

Abstract: In this work, we assessed the CO2 and CH4 sorption and transport in copolymers of 3-hydroxybutyrate and 3-hydroxyvalerate (PHBV), which showed good CO2 capture potential in our previous papers, thanks to their good solubility–selectivity, and… read more here.

Keywords: scales design; biopolymer membranes; design biopolymer; across multiple ... See more keywords

Modelling Across Multiple Scales to Design Biopolymer Membranes for Sustainable Gas Separations: 2-Multiscale Approach

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Published in 2024 at "Polymers"

DOI: 10.3390/polym16192776

Abstract: The majority of materials used for membrane-based separation of gas mixtures are non-renewable and non-biodegradable, and the assessment of alternative bio-based polymers requires expensive and time-consuming experimental campaigns. This effort can be reduced by adopting… read more here.

Keywords: co2 ch4; experimental data; gas; modelling across ... See more keywords