Multiscale modeling of nano-SiO2 deposited on jute fibers via macroscopic evaluations and the interfacial interaction by molecular dynamics simulation

Liu, Xuan; Cui, Yihua; Lee, Stephen K.L.; Zhang, Miao; Nie, Wenjun

doi:10.1016/j.compscitech.2019.107987

Cited by 9 publications

(5 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Through macroscopic evaluation and MD simulations, it was found that the deposition effect of nano-SiO 2 affects the wettability of jute fibers and improves the surface energy and tensile strength of jute fibers, while the protective layer formed by nano-SiO 2 eliminates the stress concentration sites on jute fibers. It has also been found that C-O-Si chemical bonding enhances the interfacial bonding within this composite interface [108].…”

Section: Investigation Of Mp Of Synthetic Of Plant Fiber/cementitious...mentioning

confidence: 92%

A Review: Progress in Molecular Dynamics Simulation of Portland Cement (Geopolymer)—Based Composites and the Interface between These Matrices and Reinforced Material

Wei

Feng³

et al. 2023

Buildings

View full text Add to dashboard Cite

Molecular dynamics (MD) is an important method for studying the molecular and atomic scale of cement (geopolymer)-based composites which provides an effective method for the optimal design of cementitious materials. In this paper, the research progress of MD simulation in Portland cement and geopolymer-based materials is discussed in detail, including molecular structure models of calcium silicate hydrate, calcium aluminosilicate hydrate, sodium aluminum silicate hydrate gel, and auxiliary experimental techniques. The basic mechanical properties of calcium silicate hydrate, calcium aluminosilicate hydrate and sodium aluminum silicate hydrate in Portland cement-based materials (CBM) and geopolymer-based materials are reviewed. In addition, the dynamic simulation of the interface between CBM and reinforcement materials such as rebar, synthetic fibers, plant fibers and nanoparticles is also discussed. Through the macroscopic experimental results of cement (geopolymer)-based materials and the performance analysis of an MD microscopic model, MD helps to better explain the macroscopic properties of materials, and can quickly and conveniently analyze the mechanical properties, transport properties and interface properties of composite materials, so as to improve the fine design of cement (geopolymer)-based materials. Existing structural models and force fields are affected by environment and time, and MD simulation shows great differences in application range and characterization ability. It is necessary to further study and reveal the internal mechanism for improving concrete performance through a large number of experiments and MD simulation, and lay a theoretical foundation for preparing the next generation of (super) high-performance concrete.

show abstract

Section: Investigation Of Mp Of Synthetic Of Plant Fiber/cementitious...mentioning

confidence: 92%

A Review: Progress in Molecular Dynamics Simulation of Portland Cement (Geopolymer)—Based Composites and the Interface between These Matrices and Reinforced Material

Wei

Feng³

et al. 2023

Buildings

View full text Add to dashboard Cite

show abstract

“…This solution was sonicated for one hour and stirred mechanically at 40 °C for 5 h. Lastly, the nano-SiO 2coated jute bres were washed in water to remove the excess material and then dried for 2 h at 70 °C. 359 4.3 Advantages and disadvantages of chemical treatment process 4.3.1 Advantages. The objective of the surface treatment of plant bres is to increase their bonding strength, and thus the stress transferability in the reinforced materials.…”

Section: Chemical Modicationmentioning

confidence: 99%

“…263,279,442 To date, various chemical treatments have been reported, using chemicals such as NaOH, 38,58,61,63,230,302,361,371,382,386,387,441,443–451 silane, 231,386,452–457 alkali and silane, 458,459 potassium permanganate (KMnO 4 ), 356–358,460 maleic anhydride polypropylene (MAPP), 58,305,356–358,375,461–466 stearic acid, 356–358,467 bleaching, 468 toluene diisocyanate (TDI), 355–358 sodium silicate, 417 UV radiation monomer grafting, 383,469,470 maleic anhydride-grafted polypropylene (MAgPP), 305,462,471,472 detergent washing, dewaxing, acetic acid treatment, 443 graft co-polymerization, 291,473–477 deposition of nano-SiO 2 (ref. 359 and 478) and other chemical treatments. 102,342,365,378,409,412,434,479–485 Table 7 shows the different chemicals used and the effect of various chemical surface treatment methods.…”

Section: Fibre Surface Modificationmentioning

confidence: 99%

See 1 more Smart Citation

Processing and properties of jute (Corchorus olitorius L.) fibres and their sustainable composite materials: a review

Ramesh,

Deepa

2024

J. Mater. Chem. A

View full text Add to dashboard Cite

show abstract

“…[22][23][24][25][26][27] Recent studies indicated that further improvement can be achieved via the modification of the JF surface with SiO 2 nanoparticles. [28][29][30][31][32] Liu et al 29 showed that the surface free energy and tensile strength of SiO 2 nanoparticle-modified fibres increased by 11.7% and 17.9%, respectively, compared with acid/alkali pre-treated fibres. Chen et al revealed that the tensile and impact strengths of composites reinforced with SiO 2 nanoparticle-modified JFs increased by 26.87% and 25.65%, respectively, compared with composites reinforced with untreated JFs.…”

Section: Introductionmentioning

confidence: 99%

Novel biocomposite from polyamide 11 and jute fibres: the significance of fibre modification with SiO₂ nanoparticles

Công

Giang

Trung

et al. 2021

Polymer International

View full text Add to dashboard Cite

Jute fibres (JFs) and polyamide 11 (PA11) are naturally originated materials that, individually, have been widely employed for the manufacture of biocomposites. However, their simultaneous use in an environmentally friendly JFs/PA11 biocomposite that combines the advantages of both materials has received little attention. Therefore, this study investigated the possible fabrication of a biocomposite based on JFs and PA11. Since the dispersion, adhesion and interfacial interaction between JFs and resin matrix are usually poor, the possibility of improving those characteristics was explored via chemical modification. Accordingly, two modification routes were used: alkali treatment and SiO 2 nanoparticle deposition. Both modified and unmodified fibres were blended with PA11 for biocomposite production. Various techniques including Fourier transform infrared spectroscopy, thermogravimetry, mechanical property analysis and scanning electron microscopy were used to characterize fibre and biocomposite samples. The results indicated that thermal and mechanical stability of JFs were considerably improved as a result of modification. The tensile strength and Young's modulus of unmodified fibres was 303.75 MPa and 12.32 GPa, which then increased to 483.66 MPa and 483.66 GPa, respectively, as a result of SiO 2 nanoparticle deposition on the fibre surface. Because of SiO 2 nanoparticle modification, the interaction and adhesion between JFs and PA11 matrix were improved, which led to increases of 58.3%, 11.7% and 45.9% in tensile strength, impact strength and Young's modulus. The success of this study provides a novel route to produce a complete biocomposite from JFs and PA11, which could become a promising alternative to conventional synthetic polymer composites.

show abstract

Multiscale modeling of nano-SiO2 deposited on jute fibers via macroscopic evaluations and the interfacial interaction by molecular dynamics simulation

Cited by 9 publications

References 24 publications

A Review: Progress in Molecular Dynamics Simulation of Portland Cement (Geopolymer)—Based Composites and the Interface between These Matrices and Reinforced Material

A Review: Progress in Molecular Dynamics Simulation of Portland Cement (Geopolymer)—Based Composites and the Interface between These Matrices and Reinforced Material

Processing and properties of jute (Corchorus olitorius L.) fibres and their sustainable composite materials: a review

Novel biocomposite from polyamide 11 and jute fibres: the significance of fibre modification with SiO₂ nanoparticles

Contact Info

Product

Resources

About

Multiscale modeling of nano-SiO2 deposited on jute fibers via macroscopic evaluations and the interfacial interaction by molecular dynamics simulation

Cited by 9 publications

References 24 publications

A Review: Progress in Molecular Dynamics Simulation of Portland Cement (Geopolymer)—Based Composites and the Interface between These Matrices and Reinforced Material

A Review: Progress in Molecular Dynamics Simulation of Portland Cement (Geopolymer)—Based Composites and the Interface between These Matrices and Reinforced Material

Processing and properties of jute (Corchorus olitorius L.) fibres and their sustainable composite materials: a review

Novel biocomposite from polyamide 11 and jute fibres: the significance of fibre modification with SiO2 nanoparticles

Contact Info

Product

Resources

About

Novel biocomposite from polyamide 11 and jute fibres: the significance of fibre modification with SiO₂ nanoparticles