中文版 | English
Title

Mechanism Study on Mechanical Properties of Physical-Chemical Hybrid Hydrogels by Coarse-Grained Molecular Dynamics Simulations

Author
Corresponding AuthorHong, Wei
Publication Years
2023-03-10
DOI
Source Title
ISSN
2637-6105
EISSN
2637-6105
Volume5Pages:1707-1714
Abstract
The toughening mechanism has been a focal point for hydrogel studies. To solve the problems of the pure physical gel’s poor strength and the low toughness of pure chemical gels, hybrid physico-chemical hydrogels are devised. In this paper, we first studied the relationship between the mechanical properties and internal network structure of a physico-chemical hydrogel with hydrophilic-hydrophobic-hydrophilic triblock copolymers by coarse-grained molecular dynamics simulations. The stress and strain curves of the hydrogel system were obtained by tensile simulations, and it was found that the stress and strain curves clearly exhibit two stages with different slopes, which indicate that the aggregation of hydrophobic monomers produces a "hidden length" effect in the physico-chemical hybrid hydrogel. Then, by carrying out the cyclic tensile test and obtaining the loading-unloading curves of the hydrogel system, we found that the hydrophilic chains dominate the energy dissipation. Subsequently, the strain-stress curves at different strain rates revealed an optimal strain rate for the hydrogel’s mechanical property. Finally, we identify an optimal chain-length ratio of 7:1:7 to acquire the best mechanical properties of this hybrid hydrogel. Through this study, we have revealed that the physico-chemical hybrid hydrogel is an excellent candidate to combine the merits of a physical hydrogel and chemical hydrogel, and the length ratio between the hydrophobic and hydrophilic chains is a key for optimizing its mechanical properties.
© 2023 American Chemical Society.
Keywords
URL[Source Record]
Indexed By
EI ; SCI
Language
English
SUSTech Authorship
First ; Corresponding
Funding Project
W.H. acknowledges the financial supports from the National Natural Science Foundation of China through Grant No. 11972015, and the Science, Technology and Innovation Commission of Shenzhen Municipality through Grant No. ZDSYS20210623092005017. The simulations were made possible by the Center for Computational Science and Engineering at Southern University of Science and Technology.
WOS Research Area
Materials Science ; Polymer Science
WOS Subject
Materials Science, Multidisciplinary ; Polymer Science
WOS Accession No
WOS:000930646100001
Publisher
EI Accession Number
20230713581834
EI Keywords
Block copolymers ; Energy dissipation ; Hydrogels ; Hydrophilicity ; Hydrophobicity ; Strain rate ; Stress-strain curves ; Tensile testing ; Unloading
ESI Classification Code
Energy Losses (industrial and residential):525.4 ; Materials Handling Methods:691.2 ; Colloid Chemistry:801.3 ; Physical Chemistry:801.4 ; Chemical Products Generally:804 ; Polymeric Materials:815.1 ; Physical Properties of Gases, Liquids and Solids:931.2
Data Source
EV Compendex
Citation statistics
Cited Times [WOS]:0
Document TypeJournal Article
Identifierhttp://kc.sustech.edu.cn/handle/2SGJ60CL/519648
DepartmentDepartment of Mechanics and Aerospace Engineering
Affiliation
Shenzhen Key Laboratory of Soft Mechanics & Smart Manufacturing, Department of Mechanics and Aerospace Engineering, Southern University of Science and Technology, Shenzhen; 518055, China
First Author AffilicationDepartment of Mechanics and Aerospace Engineering
Corresponding Author AffilicationDepartment of Mechanics and Aerospace Engineering
First Author's First AffilicationDepartment of Mechanics and Aerospace Engineering
Recommended Citation
GB/T 7714
Liu, Fei,Wu, Di,Hong, Wei. Mechanism Study on Mechanical Properties of Physical-Chemical Hybrid Hydrogels by Coarse-Grained Molecular Dynamics Simulations[J]. ACS Applied Polymer Materials,2023,5:1707-1714.
APA
Liu, Fei,Wu, Di,&Hong, Wei.(2023).Mechanism Study on Mechanical Properties of Physical-Chemical Hybrid Hydrogels by Coarse-Grained Molecular Dynamics Simulations.ACS Applied Polymer Materials,5,1707-1714.
MLA
Liu, Fei,et al."Mechanism Study on Mechanical Properties of Physical-Chemical Hybrid Hydrogels by Coarse-Grained Molecular Dynamics Simulations".ACS Applied Polymer Materials 5(2023):1707-1714.
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