EFFECT OF THE NANOFILLER SHAPE ON THE CONDUCTIVE NETWORK FORMATION OF POLYMER NANOCOMPOSITES VIA A COARSE-GRAINED SIMULATION

2018 ◽  
Vol 91 (4) ◽  
pp. 757-766 ◽  
Author(s):  
Fanzhu Li ◽  
Huan Zhang ◽  
Tiantian Li ◽  
Jun Liu ◽  
Yangyang Gao ◽  
...  
Keyword(s):  
Polymer Nanocomposites ◽  
Network Formation ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Radius Of Gyration ◽  
Conductive Network ◽  
The Matrix ◽  
Dispersion State ◽  
Conductive Property ◽  
The Relationship

ABSTRACT It is very important to improve the electrical conductivity of polymer nanocomposites, which can widen their application. The effect of the nanofiller shape on the relationship between the nanofiller microstructure and the conductive probability of the nanofiller filled polymer nanocomposites (PNCs) has been investigated in detail by employing a coarse-grained molecular dynamics simulation. Four kinds of nanofiller shapes are considered: rod filler, Y filler, X filler, and sphere filler. First, the mean square radius of gyration gradually decreases from rod filler, Y filler, X filler, to sphere filler, which reflects the highest aspect ratio for rod filler. Meanwhile, the dispersion state of the nanofiller is relatively uniform in the matrix. The conductive probability (denoted by the formation probability of the conductive network) is adopted to stand for the conductive property. The results show that the conductive probability gradually decreases from rod filler, Y filler, X filler, to sphere filler, which is attributed to their gradually decreased size. In summary, the nanofiller shape affects the electric conductive property of PNCs.

scholarly journals Controlling the electrical conductive network formation in nanorod filled polymer nanocomposites by tuning nanorod stiffness

RSC Advances ◽  
2018 ◽  
Vol 8 (53) ◽  
pp. 30248-30256 ◽  
Author(s):  
Yangyang Gao ◽  
Ruibin Ma ◽  
Huan Zhang ◽  
Jun Liu ◽  
Xiuying Zhao ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Polymer Nanocomposites ◽  
Network Formation ◽  
Coarse Grained ◽  
Quiescent State ◽  
Conductive Network ◽  
Filled Polymer ◽  
Shear Field ◽  
The Relationship

In this work, by employing a coarse-grained molecular simulation, we investigated the effect of the nanorod stiffness on the relationship between the microstructure and the conductive probability under the quiescent state and under the shear field.

Molecular dynamics simulation of the electrical conductive network formation of polymer nanocomposites by utilizing diblock copolymer-mediated nanoparticles

Soft Matter ◽  
2019 ◽  
Vol 15 (31) ◽  
pp. 6331-6339 ◽  
Author(s):  
Yangyang Gao ◽  
Xiaohui Duan ◽  
Peng Jiang ◽  
Huan Zhang ◽  
Jun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Diblock Copolymer ◽  
Network Formation ◽  
Dynamics Simulation ◽  
Conductive Network ◽  
High Electrical Conductivity ◽  
Simple Method

It is a simple method to utilize diblock copolymer-mediated nanoparticles to control the conductive network formation, which can help to design the nanocomposites with the high electrical conductivity, especially the anisotropy.

Molecular dynamics simulation of the electrical conductive network formation of polymer nanocomposites with polymer-grafted nanorods

2018 ◽  
Vol 20 (34) ◽  
pp. 21822-21831 ◽  
Author(s):  
Fanzhu Li ◽  
Xiaohui Duan ◽  
Huan Zhang ◽  
Bin Li ◽  
Jun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Network Formation ◽  
Dynamics Simulation ◽  
Conductive Network ◽  
Effective Strategy ◽  
High Electrical Conductivity ◽  
And Control

Grafting chains on the surface of a filler is an effective strategy to tune and control the filler conductive network, which can be utilized to fabricate polymer nanocomposites (PNCs) with high electrical conductivity.

Controlling the electrical conductive network formation of polymer nanocomposites via polymer functionalization

Soft Matter ◽  
2016 ◽  
Vol 12 (48) ◽  
pp. 9738-9748 ◽  
Author(s):  
Yangyang Gao ◽  
Youping Wu ◽  
Jun Liu ◽  
Liqun Zhang
Keyword(s):  
Polymer Nanocomposites ◽  
Network Formation ◽  
Conductive Network

scholarly journals Key Role of the Dispersion of Carbon Nanotubes (CNTs) within Epoxy Networks on their Ability to Release

Polymers ◽  
2020 ◽  
Vol 12 (11) ◽  
pp. 2530
Author(s):  
Maxime Pras ◽  
Jean-François Gérard ◽  
Luana Golanski ◽  
Guilhem Quintard ◽  
Jannick Duchet-Rumeau
Keyword(s):  
Polymer Matrix ◽  
Interfacial Strength ◽  
Advanced Materials ◽  
Mechanical Reinforcement ◽  
Rheological Analysis ◽  
Polymerization Kinetic ◽  
The Matrix ◽  
Dispersion State ◽  
The Relationship

Carbon nanotube (CNT)-reinforced nanocomposites represent a unique opportunity in terms of designing advanced materials with mechanical reinforcement and improvements in the electrical and thermal conductivities. However, the toxic effects of these composites on human health have been studied, and very soon, some regulations on CNTs and on composites based on CNTs will be enacted. That is why the release of CNTs during the nanocomposite lifecycle must be controlled. As the releasing depends on the interfacial strength that is stronger between CNTs and polymers compared to CNTs in a CNT agglomerate, two dispersion states—one poorly dispersed versus another well dispersed—are generated and finely described. So, the main aim of this study is to check if the CNT dispersion state has an influence on the CNT releasing potential in the nanocomposite. To well tailor and characterize the CNT dispersion state in the polymer matrix, electronic microscopies (SEM and TEM) and also rheological analysis are carried out to identify whether CNTs are isolated, in bundles, or in agglomerates. When the dispersion state is known and controlled, its influence on the polymerization kinetic and on mechanical properties is discussed. It appears clearly that in the case of a good dispersion state, strong interfaces are generated, linking the isolated nanotubes with the polymer, whereas the CNT cohesion in an agglomerate seems much more weak, and it does not provide any improvement to the polymer matrix. Raman spectroscopy is relevant to analyze the interfacial properties and allows the relationship with the releasing ability of nanocomposites; i.e., CNTs poorly dispersed in the matrix are more readily released when compared to well-dispersed nanocomposites. The tribological tests confirm from released particles granulometry and observations that a CNT dispersion state sufficiently achieved in the nanocomposite avoids single CNT releasing under those solicitations.

Improvement on Dispersion of Carbon Nanotubes in Polymer Matrix by Using the Solvent with a Low Boiling Point

2018 ◽  
Vol 939 ◽  
pp. 170-176
Author(s):  
Xiang Fu ◽  
Maximiano Ramos ◽  
Ahmed M. Al-Jumaily ◽  
Xi Yong Huang ◽  
Nargis Chowdhury
Keyword(s):  
Carbon Nanotubes ◽  
Electrical Conductivity ◽  
Tensile Strength ◽  
Polymer Nanocomposites ◽  
Boiling Point ◽  
Dispersion Method ◽  
Evaporation Time ◽  
Excellent Performance ◽  
The Matrix ◽  
Dispersion State

Polymer nanocomposites based on carbon nanotubes attract a great deal of attention recently due to their excellent performance. The dispersion state of CNTs embedded in the matrix is the primary and key issue to realize the potential of the nanocomposite. Here, this paper considers how the boiling point of solvent affects the performance of the nanocomposite when the ultrasonication dispersion method is employed. It is found that solvent with a low boiling point is conducive to save evaporation time so that CNTs can maintain the homogenous dispersion state as much as possible after ultrasonication. Therefore, the stretchability and tensile strength can be improved, while the electrical conductivity has an obvious enhancement as well.

scholarly journals Percolation analysis of the electrical conductive network in a polymer nanocomposite by nanorod functionalization

RSC Advances ◽  
2019 ◽  
Vol 9 (62) ◽  
pp. 36324-36333 ◽  
Author(s):  
Ruibin Ma ◽  
Guangyao Mu ◽  
Huan Zhang ◽  
Jun Liu ◽  
Yangyang Gao ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Polymer Nanocomposites ◽  
Polymer Nanocomposite ◽  
Conductive Network ◽  
Effective Strategy ◽  
Chemical Functionalization ◽  
The Matrix

Chemical functionalization of nanofillers is an effective strategy to benefit the formation of the conductive network in the matrix which can enhance the electrical conductivity of polymer nanocomposites (PNCs).

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