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Swelling and dimensional stability of xyloglucan/montmorillonite nanocomposites in moist conditions from molecular dynamics simulations
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi och biologi.ORCID-id: 0000-0001-8986-526X
KTH, Skolan för kemivetenskap (CHE), Fiber- och polymerteknologi. KTH, Skolan för kemivetenskap (CHE), Centra, Wallenberg Wood Science Center.
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi och biologi.ORCID-id: 0000-0001-8198-9284
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi och biologi.ORCID-id: 0000-0002-1763-9383
Vise andre og tillknytning
2017 (engelsk)Inngår i: Computational Materials Science, ISSN 0927-0256, Vol. 128, s. 191-197Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Nacre-mimetic biocomposites made from the combination of montmorillonite clay and the hemicellulose xyloglucan give materials that retain much of their material properties even at high relative humidity. Here, a model composite system consisting of two clay platelets intercalated by xyloglucan oligomers was studied at different levels of hydration using molecular dynamics simulations, and compared to the pure clay. It was found that xyloglucan inhibits swelling of the clay at low water contents by promoting the formation of nano-sized voids that fill with water without affecting the material's dimensions. At higher water contents the XG itself swells, but at the same time maintaining contact with both platelets across the gallery, thereby acting as a physical cross-linker in a manner similar to the role of XG in the plant cell wall.

sted, utgiver, år, opplag, sider
Elsevier, 2017. Vol. 128, s. 191-197
Emneord [en]
Clay, Hemicellulose, Biocomposite, Moisture, Computer simulations
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-200395DOI: 10.1016/j.commatsci.2016.11.028ISI: 000391022600021Scopus ID: 2-s2.0-85000916254OAI: oai:DiVA.org:kth-200395DiVA, id: diva2:1069756
Forskningsfinansiär
Swedish Foundation for Strategic Research , 10-0086
Merknad

QC 20170130

Tilgjengelig fra: 2017-01-30 Laget: 2017-01-27 Sist oppdatert: 2017-02-23bibliografisk kontrollert

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Wang, YanBergenstråhle-Wohlert, MalinTu, YaoquanÅgren, HansBerglund, Lars A.Wohlert, Jakob
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