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Interaction Effects between Cellulose and Water in Nanocrystalline and Amorphous Regions: A Novel Approach Using Molecular Modeling
Joint Authors
Chami Khazraji, Ali
Robert, Sylvain
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-06-19
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
The hydrophilic/hydrophobic nature of cellulose is based on its structural anisotropy.
Cellulose chains are arranged in a parallel manner and are organized in sheets stabilized by interchain OH–O hydrogen bonds, whereas the stacking of sheets is stabilized by both van der Waals (vdW) dispersion forces and weak CH–O hydrogen bonds.
Cellulose has a strong affinity to itself and materials containing hydroxyls, especially water.
Based on the preponderance of hydroxyl functional groups, cellulose polymer is very reactive with water.
Water molecular smallness promotes the reaction with the cellulose chains and immediately formed hydrogen bonds.
Besides that, vdW dispersion forces play an important role between these two reactive entities.
They stabilize the cellulose structure according to the considerable cohesive energy in the cellulose network.
Hydrogen bonding, electrostatic interactions, and vdW dispersion forces play an important role in determining the cellulose crystal structure during the cellulose-water interactions.
As a result of these interactions, the volume of cellulose undergoes a meaningful change expressed not only by an exponential growth in amorphous regions, but also by an expansion in nanocrystalline regions.
In addition, the volume change is associated with the swelling material expressed as a weight gain of the cellulose polymer.
Molecular modeling using Accelrys Materials Studio allowed us to open a new horizon and is helpful for understanding cellulose-water interactions.
American Psychological Association (APA)
Chami Khazraji, Ali& Robert, Sylvain. 2013. Interaction Effects between Cellulose and Water in Nanocrystalline and Amorphous Regions: A Novel Approach Using Molecular Modeling. Journal of Nanomaterials،Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-1007763
Modern Language Association (MLA)
Chami Khazraji, Ali& Robert, Sylvain. Interaction Effects between Cellulose and Water in Nanocrystalline and Amorphous Regions: A Novel Approach Using Molecular Modeling. Journal of Nanomaterials No. 2013 (2013), pp.1-10.
https://search.emarefa.net/detail/BIM-1007763
American Medical Association (AMA)
Chami Khazraji, Ali& Robert, Sylvain. Interaction Effects between Cellulose and Water in Nanocrystalline and Amorphous Regions: A Novel Approach Using Molecular Modeling. Journal of Nanomaterials. 2013. Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-1007763
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1007763