Multiscale modeling of nano-SiO2 deposited on jute fibers via macroscopic evaluations and the interfacial interaction by molecular dynamics simulation
Source abstract
Abstract
Abstract To improve the interfacial combination of jute fiber reinforced polymer composites, sol-gel method was used to deposit nano-SiO2 layer on the surface of jute fibers. The macroscopic evaluations and molecular dynamics (MD) simulation were carried out to characterize the deposition effect of nano-SiO2 layer on jute fibers. In addition, the multiscale modeling of nano-SiO2 deposited on jute fibers was established. The results showed that the deposition effect could be affected by the morphologies of nano-SiO2 layer including gel, array and aggregated particles. Compared with nano-SiO2 gel and aggregated nano-SiO2 particles, nano-SiO2 array may fill up the surface flaws of jute fibers efficiently, which would eliminate the stress concentration and lotus leaf effect on the jute fibers. The surface energy and tensile strength of jute fibers coated with nano-SiO2 array were increased by 9.79% and 16.47%, respectively. Additionally, MD simulation confirmed that non-bonding and C–O–Si chemical bonding interactions guaranteed the interfacial combination between the jute fiber and nano-SiO2 layer. C–O–Si chemical bond could provide with the strong interfacial strength between the jute fiber and nano-SiO2 layer.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Natural Fiber Reinforced Composites · Polymer Nanocomposites and Properties · Nanocomposite Films for Food Packaging
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (24)
Show source-provided references
1. Production of epoxy composites reinforced by different natural fibers and their mechanical properties10.1016/j.compositesb.2019.03.020 ↗
2. Interface properties and their effect on the mechanical performance of flax fibre thermoplastic composites10.1016/j.compositesa.2019.04.015 ↗
3. The effect of surface treatment on the creep behavior of flax fiber reinforced composites under hygrothermal aging conditions10.1016/j.conbuildmat.2019.03.001 ↗
4. Flax (Linum usitatissimum L.) fibre reinforced polymer composite materials: a review on preparation, properties and prospects10.1016/j.pmatsci.2018.12.004 ↗
5. The three-dimensional heterostructure synthesis of ZnO/cellulosic fibers and its application for rubber composites10.1016/j.compscitech.2019.04.012 ↗
6. Multiwall-carbon-nanotube/cellulose composite fibers with enhanced mechanical and electrical properties by cellulose grafting10.1039/C7RA11304H ↗
7. High performance natural rubber composites with a hierarchical reinforcement structure of carbon nanotube modified natural fibers10.1016/j.matdes.2014.01.071 ↗
8. Influence of depositing nano-SiO2 particles on the surface microstructure and properties of jute fibers via in situ synthesis10.1016/j.compositesa.2018.03.026 ↗
9. Microscopic mechanism of amino silicone oil modification and modification effect with different amino group contents based on molecular dynamics simulation10.1016/j.apsusc.2018.01.101 ↗
10. Controlled growth of silver nanoparticles on carbon fibers for reinforcement of both tensile and interfacial strength10.1039/C5RA22032G ↗
11. Effects of amino silicone oil modification on properties of ramie fiber and ramie fiber/polypropylene composites10.1016/j.matdes.2015.03.051 ↗
12. Amorphous paracrystalline structures from native crystalline cellulose: a molecular dynamics protocol10.1016/j.fluid.2019.03.011 ↗
13. Hybrid composites of jute and man-made cellulose fibers with polypropylene by injection moulding10.1016/j.compositesa.2009.04.015 ↗
14. Evaluation of reaction factors for deposition of silica (SiO2) nanoparticles on cellulose fibers10.1016/j.carbpol.2014.08.042 ↗
15. Molecular dynamics simulations of the effect of sizing agent on the interface property in carbon fiber reinforced vinyl ester resin composite10.1016/j.apsusc.2019.02.157 ↗
16. Improving interfacial and mechanical properties of carbon nanotube-sized carbon fiber/epoxy composites10.1016/j.carbon.2019.01.063 ↗
17. Controlled hydrophilic/hydrophobic property of silica films by manipulating the hydrolysis and condensation of tetraethoxysilane10.1016/j.apsusc.2016.02.068 ↗
18. Novel SiO2/cellulose nanocomposites obtained by in situ synthesis and via polyelectrolytes assembly10.1016/j.compscitech.2007.03.001 ↗
19. Quantitative evaluation on the heterogeneous nucleation of amino acid by a thermodynamic analysis10.1016/j.molliq.2014.11.021 ↗
20. Recent advances in oriented attachment growth and synthesis of functional materials: concept, evidence, mechanism, and future10.1039/B807760F ↗
21. Preparation and characterization of a durable superhydrophobic hyperbranched poly(dimethylolbutanoic acid-glycidyl ester of versatic acid)/nano-SiO2 coating10.1016/j.apsusc.2018.09.186 ↗
22. Engineering lotus leaf-inspired micro- and nanostructures for the manipulation of functional engineering platforms10.1016/j.jiec.2017.11.045 ↗
23. Improving the interfacial strength of silicone resin composites by chemically grafting silica nanoparticles on carbon fiber10.1016/j.compscitech.2017.10.020 ↗
24. Tensile strength analysis of palm leaf sheath fiber with Weibull distribution10.1016/j.compositesa.2014.03.018 ↗