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Journal of Polymer Research

Erschienen in:

01.06.2021 | ORIGINAL PAPER

Improvement efficiency of the of poly (ether-block-amide) -Cellulose acetate (Pebax-CA) blend by the addition of nanoparticles (MIL-53 and NH₂-MIL-53): A molecular dynamics study

verfasst von: Iman Salahshoori, Ilaria Cacciotti, Ahmad Seyfaee, Aziz Babapoor

Erschienen in: Journal of Polymer Research | Ausgabe 6/2021

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Abstract

Recent membrane research has focused on constructing physicochemically stable membranes with high transfer properties above the Robson curve. Polymers blending, cross-linking polymers, and mixed matrix membranes (MMM) have been used to increase membranes performance at different temperatures and pressures. This study aims to compute the morphological and transfer properties of hybrid membranes (Pebax/MIL-53 and Pebax/NH₂-MIL-53), blend membranes (Pebax/Cellulose Acetate), and mixed matrix membranes (Pebax/Cellulose Acetate/MIL-53 and Pebax/Cellulose Acetate/NH₂-MIL-53), using molecular dynamics (MD) and Monte Carlo (MC) methods via Material Studio software (MS) 2017. The calculated solubility parameter for Pebax, cellulose acetate, and Pebax/cellulose acetate blend were, 19.917 (J/cm³)^0.5, 18.174 (J/cm³)^0.5, and 18.207 (J/cm³)^0.5, respectively. Achieving the same glass transition temperature (T_g) in the Pebax/cellulose acetate blend indicates the proper miscibility of the two polymers. Improving the morphological performance properties of the MMMs by adding MIL-53 and NH₂-MIL-53 particles to the Pebax-CA structure was evident in the simulation results. Moreover, the transfer properties performance of the MMMs were improved due to the high compatibility of MOF particles with polymer blends. Furthermore, MIL-53 with the NH₂ amine functional group improved the transfer properties of CO₂ gas in MMMs due to amino groups’ presence and more excellent compatibility due to hydrogen formation bonds to Pebax polymer chain.

Vorheriger Artikel Conductivity, structural and thermal properties of corn starch-lithium iodide nanocomposite polymer electrolyte incorporated with Al2O3

Nächster Artikel Acidic ionic liquid-mediated preparation of shaped electrically conductive poly(p-phenylenediamine)

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Titel: Improvement efficiency of the of poly (ether-block-amide) -Cellulose acetate (Pebax-CA) blend by the addition of nanoparticles (MIL-53 and NH2-MIL-53): A molecular dynamics study
verfasst von: Iman Salahshoori
Ilaria Cacciotti
Ahmad Seyfaee
Aziz Babapoor
Publikationsdatum: 01.06.2021
Verlag: Springer Netherlands
Erschienen in: Journal of Polymer Research / Ausgabe 6/2021
Print ISSN: 1022-9760
Elektronische ISSN: 1572-8935
DOI: https://doi.org/10.1007/s10965-021-02577-z

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