Moisture-induced crossover in the thermodynamic and mechanical response of hydrophilic biopolymer.
Hemicellulose
Mechanics
Moisture
Molecular dynamics simulations
Thermodynamics
Xylan
Journal
Cellulose (London, England)
ISSN: 0969-0239
Titre abrégé: Cellulose (Lond)
Pays: England
ID NLM: 101215688
Informations de publication
Date de publication:
2020
2020
Historique:
received:
04
05
2019
accepted:
21
10
2019
entrez:
4
2
2020
pubmed:
6
2
2020
medline:
6
2
2020
Statut:
ppublish
Résumé
The use of natural sustainable resources such as wood in green industrial processes is currently limited by our poor understanding of the impact of moisture on their thermodynamic and mechanical behaviors. Here, a molecular dynamics approach is used to investigate the physical response of a typical hydrophilic biopolymer in softwood hemicellulose-xylan-when subjected to moisture adsorption. A unique moisture-induced crossover is found in the thermodynamic and mechanical properties of this prototypical biopolymer with many quantities such as the heat of adsorption, heat capacity, thermal expansion and elastic moduli exhibiting a marked evolution change for a moisture content about 30 wt%. By investigating the microscopic structure of the confined water molecules and the polymer-water interfacial area, the molecular mechanism responsible for this crossover is shown to correspond to the formation of a double-layer adsorbed film along the amorphous polymeric chains. In addition to this moisture-induced crossover, many properties of the hydrated biopolymer are found to obey simple material models.
Identifiants
pubmed: 32009745
doi: 10.1007/s10570-019-02808-z
pii: 2808
pmc: PMC6960215
doi:
Types de publication
Journal Article
Langues
eng
Pagination
89-99Informations de copyright
© The Author(s) 2019.
Références
Biomacromolecules. 2004 Jul-Aug;5(4):1528-35
pubmed: 15244474
Science. 1998 Jan 30;279(5351):717-20
pubmed: 9445479
Nat Commun. 2018 Aug 29;9(1):3507
pubmed: 30158573
Crit Rev Food Sci Nutr. 2010 Feb;50(2):162-92
pubmed: 20112158
Carbohydr Polym. 2019 Apr 15;210:322-331
pubmed: 30732768
J Mol Biol. 1973 Sep 15;79(2):351-71
pubmed: 4760134
Macromol Rapid Commun. 2013 Jun 13;34(11):949-53
pubmed: 23677784
Int J Mol Sci. 2009 Sep 11;10(9):4033-65
pubmed: 19865531
J Chem Theory Comput. 2011 Dec 13;7(12):4026-37
pubmed: 26598349
J Comput Chem. 2004 Oct;25(13):1656-76
pubmed: 15264259
J Agric Food Chem. 1998 Jan 19;46(1):62-71
pubmed: 10554197