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Swelling and dimens...
Swelling and dimensional stability of xyloglucan/montmorillonite nanocomposites in moist conditions from molecular dynamics simulations
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- Wang, Yan (author)
- KTH,Teoretisk kemi och biologi
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- Bergenstråhle-Wohlert, Malin (author)
- KTH,Fiber- och polymerteknologi,Wallenberg Wood Science Center
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- Tu, Yaoquan (author)
- KTH,Teoretisk kemi och biologi
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- Ågren, Hans (author)
- KTH,Teoretisk kemi och biologi
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- Berglund, Lars A. (author)
- KTH,Fiber- och polymerteknologi,Wallenberg Wood Science Center
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- Wohlert, Jakob (author)
- KTH,Fiber- och polymerteknologi,Wallenberg Wood Science Center
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(creator_code:org_t)
- Elsevier, 2017
- 2017
- English.
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In: Computational Materials Science. - : Elsevier. - 0927-0256. ; 128, s. 191-197
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi -- Annan kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Other Chemistry Topics (hsv//eng)
Keyword
- Clay
- Hemicellulose
- Biocomposite
- Moisture
- Computer simulations
Publication and Content Type
- ref (subject category)
- art (subject category)
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