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Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective
In this paper, the sorption thermodynamics of low-molecular-weight penetrants in a glassy polyetherimide, endowed with specific interactions, is addressed by combining an experimental approach based on vibrational spectroscopy with thermodynamics modeling. This modeling approach is based on the exte...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6409864/ https://www.ncbi.nlm.nih.gov/pubmed/30717234 http://dx.doi.org/10.3390/membranes9020023 |
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author | Mensitieri, Giuseppe Scherillo, Giuseppe La Manna, Pietro Musto, Pellegrino |
author_facet | Mensitieri, Giuseppe Scherillo, Giuseppe La Manna, Pietro Musto, Pellegrino |
author_sort | Mensitieri, Giuseppe |
collection | PubMed |
description | In this paper, the sorption thermodynamics of low-molecular-weight penetrants in a glassy polyetherimide, endowed with specific interactions, is addressed by combining an experimental approach based on vibrational spectroscopy with thermodynamics modeling. This modeling approach is based on the extension of equilibrium theories to the out-of-equilibrium glassy state. Specific interactions are accounted for in the framework of a compressible lattice fluid theory. In particular, the sorption of carbon dioxide, water, and methanol is illustrated, exploiting the wealth of information gathered at a molecular level from Fourier-transform infrared (FTIR) spectroscopy to tailor thermodynamics modeling. The investigated penetrants display a different interacting characteristic with respect to the polymer substrate, which reflects itself in the sorption thermodynamics. For the specific case of water, the outcomes from molecular dynamics simulations are compared with the results of the present analysis. |
format | Online Article Text |
id | pubmed-6409864 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-64098642019-03-22 Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective Mensitieri, Giuseppe Scherillo, Giuseppe La Manna, Pietro Musto, Pellegrino Membranes (Basel) Article In this paper, the sorption thermodynamics of low-molecular-weight penetrants in a glassy polyetherimide, endowed with specific interactions, is addressed by combining an experimental approach based on vibrational spectroscopy with thermodynamics modeling. This modeling approach is based on the extension of equilibrium theories to the out-of-equilibrium glassy state. Specific interactions are accounted for in the framework of a compressible lattice fluid theory. In particular, the sorption of carbon dioxide, water, and methanol is illustrated, exploiting the wealth of information gathered at a molecular level from Fourier-transform infrared (FTIR) spectroscopy to tailor thermodynamics modeling. The investigated penetrants display a different interacting characteristic with respect to the polymer substrate, which reflects itself in the sorption thermodynamics. For the specific case of water, the outcomes from molecular dynamics simulations are compared with the results of the present analysis. MDPI 2019-02-01 /pmc/articles/PMC6409864/ /pubmed/30717234 http://dx.doi.org/10.3390/membranes9020023 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Mensitieri, Giuseppe Scherillo, Giuseppe La Manna, Pietro Musto, Pellegrino Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective |
title | Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective |
title_full | Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective |
title_fullStr | Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective |
title_full_unstemmed | Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective |
title_short | Sorption Thermodynamics of CO(2), H(2)O, and CH(3)OH in a Glassy Polyetherimide: A Molecular Perspective |
title_sort | sorption thermodynamics of co(2), h(2)o, and ch(3)oh in a glassy polyetherimide: a molecular perspective |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6409864/ https://www.ncbi.nlm.nih.gov/pubmed/30717234 http://dx.doi.org/10.3390/membranes9020023 |
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