A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane

Abstract Hysteretic sorption and desorption of water is observed from 0 to 95% relative humidity and 298–333 K on a glassy polyurethane foam. It is postulated that sorption-induced swelling of the glassy polyurethane increases the concentration of accessible hydrogen-bonding adsorption sites for wat...

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Main Authors: Brandon L. Foley, Sarah M. Matt, Stephen T. Castonguay, Yunwei Sun, Pratanu Roy, Elizabeth A. Glascoe, Hom N. Sharma
Format: Article
Language:English
Published: Nature Portfolio 2024-03-01
Series:Scientific Reports
Subjects:
Online Access:https://doi.org/10.1038/s41598-024-56069-3
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author Brandon L. Foley
Sarah M. Matt
Stephen T. Castonguay
Yunwei Sun
Pratanu Roy
Elizabeth A. Glascoe
Hom N. Sharma
author_facet Brandon L. Foley
Sarah M. Matt
Stephen T. Castonguay
Yunwei Sun
Pratanu Roy
Elizabeth A. Glascoe
Hom N. Sharma
author_sort Brandon L. Foley
collection DOAJ
description Abstract Hysteretic sorption and desorption of water is observed from 0 to 95% relative humidity and 298–333 K on a glassy polyurethane foam. It is postulated that sorption-induced swelling of the glassy polyurethane increases the concentration of accessible hydrogen-bonding adsorption sites for water. The accessibility of sites is kinetically controlled due to the restricted thermal motions of chains in the glassy polymer, causing a difference in accessible site concentrations during sorption and desorption. This discrepancy leads to hysteresis in the sorbed concentrations of water. A coupled chemo-mechanical model relating volumetric strain, adsorption site concentration, and sorbed water concentration is employed to describe water sorption hysteresis in the glassy polyurethane. This model not only describes the final mass uptake for each relative humidity step, but also captures the dynamics of water uptake, which exhibit diffusion and relaxation rate-controlled regimes.
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spelling doaj.art-272ee51efb18412fa82be059f07d84092024-03-10T12:11:21ZengNature PortfolioScientific Reports2045-23222024-03-0114111610.1038/s41598-024-56069-3A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethaneBrandon L. Foley0Sarah M. Matt1Stephen T. Castonguay2Yunwei Sun3Pratanu Roy4Elizabeth A. Glascoe5Hom N. Sharma6Lawrence Livermore National LaboratoryLawrence Livermore National LaboratoryLawrence Livermore National LaboratoryLawrence Livermore National LaboratoryLawrence Livermore National LaboratoryLawrence Livermore National LaboratoryLawrence Livermore National LaboratoryAbstract Hysteretic sorption and desorption of water is observed from 0 to 95% relative humidity and 298–333 K on a glassy polyurethane foam. It is postulated that sorption-induced swelling of the glassy polyurethane increases the concentration of accessible hydrogen-bonding adsorption sites for water. The accessibility of sites is kinetically controlled due to the restricted thermal motions of chains in the glassy polymer, causing a difference in accessible site concentrations during sorption and desorption. This discrepancy leads to hysteresis in the sorbed concentrations of water. A coupled chemo-mechanical model relating volumetric strain, adsorption site concentration, and sorbed water concentration is employed to describe water sorption hysteresis in the glassy polyurethane. This model not only describes the final mass uptake for each relative humidity step, but also captures the dynamics of water uptake, which exhibit diffusion and relaxation rate-controlled regimes.https://doi.org/10.1038/s41598-024-56069-3Glassy polymersSorption hysteresisPolymer relaxationBerens–Hopfenberg kinetics
spellingShingle Brandon L. Foley
Sarah M. Matt
Stephen T. Castonguay
Yunwei Sun
Pratanu Roy
Elizabeth A. Glascoe
Hom N. Sharma
A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane
Scientific Reports
Glassy polymers
Sorption hysteresis
Polymer relaxation
Berens–Hopfenberg kinetics
title A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane
title_full A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane
title_fullStr A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane
title_full_unstemmed A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane
title_short A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane
title_sort chemo mechanical model for describing sorption hysteresis in a glassy polyurethane
topic Glassy polymers
Sorption hysteresis
Polymer relaxation
Berens–Hopfenberg kinetics
url https://doi.org/10.1038/s41598-024-56069-3
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