Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films

Cellulose nanofibril (CNF) has become a renewable and sustainable building block for functional and structural materials. In this study, combining chemical structure analyses, mechanical experiments, and first principle calculations, we elaborate on the strengthening and toughening mechanisms for th...

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Main Authors: Xuan Liu, Yingjie Jiang, Yanan Wei, Xiaoding Wei
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Materials & Design
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S0264127522010541
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author Xuan Liu
Yingjie Jiang
Yanan Wei
Xiaoding Wei
author_facet Xuan Liu
Yingjie Jiang
Yanan Wei
Xiaoding Wei
author_sort Xuan Liu
collection DOAJ
description Cellulose nanofibril (CNF) has become a renewable and sustainable building block for functional and structural materials. In this study, combining chemical structure analyses, mechanical experiments, and first principle calculations, we elaborate on the strengthening and toughening mechanisms for the wet-drawn bacterial cellulose (BC) films that contain metal ion crosslinks. Wet-drawing assists the alignment of CNFs, and multivalent metal ion cross-linking further improves the inter-fibril interactions. BC films cross-linked with Na+, Ca2+, Cu2+, Al3+, and Fe3+ all demonstrate improved mechanical strength than the as-received samples. Density functional theory (DFT) calculations reveal that besides the electrostatic forces between the metal ions and the adjacent carboxylate oxygen atoms, Cu2+ and Fe3+ can also form coordination bonds with the adjacent carboxylate oxygen atoms. Among all the five metal ions tried herein, Fe3+ introduces the strongest cross-links between nanofibrils through coordination bonds and electrostatic forces. The BC films cross-linked with Fe3+ exhibit high tensile strength and toughness of 451.51 MPa and 8.19 MJ∙m−3, respectively. The underlying mechanisms discovered herein open new possibilities for utilizing natural fibers.
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spelling doaj.art-962122c83b1b485ab0f599cc8559121b2022-12-22T04:22:52ZengElsevierMaterials & Design0264-12752022-12-01224111431Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose filmsXuan Liu0Yingjie Jiang1Yanan Wei2Xiaoding Wei3State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Beijing Innovation Center for Engineering Science and Advanced Technology, Peking University, Beijing 100871, ChinaState Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Beijing Innovation Center for Engineering Science and Advanced Technology, Peking University, Beijing 100871, ChinaSchool of Science and Technology, Beijing Open University, Beijing 100081, ChinaState Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Beijing Innovation Center for Engineering Science and Advanced Technology, Peking University, Beijing 100871, China; Peking University Nanchang Innovation Institute, Nanchang 330000, China; Corresponding author at: State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Beijing Innovation Center for Engineering Science and Advanced Technology, Peking University, Beijing 100871, China.Cellulose nanofibril (CNF) has become a renewable and sustainable building block for functional and structural materials. In this study, combining chemical structure analyses, mechanical experiments, and first principle calculations, we elaborate on the strengthening and toughening mechanisms for the wet-drawn bacterial cellulose (BC) films that contain metal ion crosslinks. Wet-drawing assists the alignment of CNFs, and multivalent metal ion cross-linking further improves the inter-fibril interactions. BC films cross-linked with Na+, Ca2+, Cu2+, Al3+, and Fe3+ all demonstrate improved mechanical strength than the as-received samples. Density functional theory (DFT) calculations reveal that besides the electrostatic forces between the metal ions and the adjacent carboxylate oxygen atoms, Cu2+ and Fe3+ can also form coordination bonds with the adjacent carboxylate oxygen atoms. Among all the five metal ions tried herein, Fe3+ introduces the strongest cross-links between nanofibrils through coordination bonds and electrostatic forces. The BC films cross-linked with Fe3+ exhibit high tensile strength and toughness of 451.51 MPa and 8.19 MJ∙m−3, respectively. The underlying mechanisms discovered herein open new possibilities for utilizing natural fibers.http://www.sciencedirect.com/science/article/pii/S0264127522010541Bacterial cellulose filmsWet-drawingMetal ion cross-linkingMechanical propertiesStrengthening mechanism
spellingShingle Xuan Liu
Yingjie Jiang
Yanan Wei
Xiaoding Wei
Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films
Materials & Design
Bacterial cellulose films
Wet-drawing
Metal ion cross-linking
Mechanical properties
Strengthening mechanism
title Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films
title_full Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films
title_fullStr Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films
title_full_unstemmed Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films
title_short Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films
title_sort strengthening and toughening mechanisms induced by metal ion cross linking in wet drawn bacterial cellulose films
topic Bacterial cellulose films
Wet-drawing
Metal ion cross-linking
Mechanical properties
Strengthening mechanism
url http://www.sciencedirect.com/science/article/pii/S0264127522010541
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AT yananwei strengtheningandtougheningmechanismsinducedbymetalioncrosslinkinginwetdrawnbacterialcellulosefilms
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