Tuning the Electrically Conductive Network of Grafted Nanoparticles in Polymer Nanocomposites by the Shear Field

Yan-Long Luo; Xiao-Hui Duan; Bin Li; Xian-Ling Chen; Yang-Yang Gao; Li-Qun Zhang

doi:10.1007/s10118-020-2467-x

Your Location：

Home >

Browse articles >

Tuning the Electrically Conductive Network of Grafted Nanoparticles in Polymer Nanocomposites by the Shear Field

ARTICLE | Updated：2020-08-11

- Tuning the Electrically Conductive Network of Grafted Nanoparticles in Polymer Nanocomposites by the Shear Field
- Chinese Journal of Polymer Science Vol. 38, Issue 12, Pages: 1426-1434(2020)
- Affiliations：
  
  a.College of Science, Nanjing Forestry University, Nanjing 210037, China
  b.Key Laboratory of Beijing City on Preparation and Processing of Novel Polymer Materials, Beijing University of Chemical Technology, Beijing 100029, China
  c.State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
  d.School of Chemical Engineering and Technology, Sun Yat-sen University, Zhuhai 519082, China
- Author bio：
  
  gaoyy@mail.buct.edu.cn
- Funds：
- DOI：10.1007/s10118-020-2467-x
  CLC：
- Received：12 May 2020，
  
  Revised：2020-6-1，
  
  Accepted：01 June 2020，
  
  Online First：11 August 2020，
  
  Published：10 September 2020
- Accepted：
Scan QR Code
Luo, Y. L.; Duan, X. H.; Li, B.; Chen, X. L.; Gao, Y. Y.; Zhang, L. Q. Tuning the electrically conductive network of grafted nanoparticles in polymer nanocomposites by the shear field. Chinese J. Polym. Sci. 2020, 38, 1426–1434

Yan-Long Luo, Xiao-Hui Duan, Bin Li, et al. Tuning the Electrically Conductive Network of Grafted Nanoparticles in Polymer Nanocomposites by the Shear Field[J]. Chinese Journal of Polymer Science, 2020, 38(12): 1426-1434.
Luo, Y. L.; Duan, X. H.; Li, B.; Chen, X. L.; Gao, Y. Y.; Zhang, L. Q. Tuning the electrically conductive network of grafted nanoparticles in polymer nanocomposites by the shear field. Chinese J. Polym. Sci. 2020, 38, 1426–1434 DOI： 10.1007/s10118-020-2467-x.

Yan-Long Luo, Xiao-Hui Duan, Bin Li, et al. Tuning the Electrically Conductive Network of Grafted Nanoparticles in Polymer Nanocomposites by the Shear Field[J]. Chinese Journal of Polymer Science, 2020, 38(12): 1426-1434. DOI： 10.1007/s10118-020-2467-x.

摘要

Abstract

Controlling the formation of the conductive network in the polymer nanocomposites (PNCs) is very meaningful to enhance their electrical property. In this work

we investigated the effect of grafted nanoparticles (NPs) on the conductive probability of PNCs in the quiescent state as well as under the shear field

via

a coarse-grained molecular dynamics simulation. It is found that the smallest percolation threshold is realized at the moderate grafting density

the moderate length of grafted chains or the moderate interaction between grafted chains and free chains. Corresponding to it

the dispersion state of NPs varies from the contact aggregation to the uniform dispersion. By analyzing the connection mode among NPs

the probability of NPs which connect three other ones reaches the maximum value at their moderate dispersion state which is responsible for the optimal conductive probability. In addition

the main cluster size is characterized to better understand the conductive network which is consistent with the percolation threshold. It is interesting to find that the percolation threshold is smaller under the shear field than under the quiescent state. The shear field induces more NPs which connect three other ones. This benefits the formation of the new conductive network. Meanwhile

the anisotropy of the conductive probability is reduced with increasing the grafting density. In summary

this work provides a clear picture on how the conductive network of grafted NPs evolves under the shear field.

关键词

Keywords

references

Zhang, Q.; Wang, J.; Zhang, B. Y.; Guo, B. H.; Yu, J.; Guo, Z. X. . Improved electrical conductivity of polymer/carbon black composites by simultaneous dispersion and interaction-induced network assembly . Compos. Sci. Technol. , 2019 . 179 106 - 114 . DOI: 10.1016/j.compscitech.2019.05.008 http://doi.org/10.1016/j.compscitech.2019.05.008 .

Mutiso, R. M.; Winey, K. I. . Electrical properties of polymer nanocomposites containing rod-like nanofillers . Prog. Polym. Sci. , 2015 . 40 63 - 84 . DOI: 10.1016/j.progpolymsci.2014.06.002 http://doi.org/10.1016/j.progpolymsci.2014.06.002 .

Alig, I.; Pötschke, P.; Lellinger, D.; Skipa, T.; Pegel, S.; Kasaliwal, G. R.; Villmow, T. . Establishment, morphology and properties of carbon nanotube networks in polymer melts . Polymer , 2012 . 53 4 - 28 . DOI: 10.1016/j.polymer.2011.10.063 http://doi.org/10.1016/j.polymer.2011.10.063 .

Yang, X.; He, W.; Wang, S.; Zhou, G.; Tang, Y. . Preparation and properties of a novel electrically conductive adhesive using a composite of silver nanorods, silver nanoparticles, and modified epoxy resin . J. Mater. Sci. Mater. Electron. , 2012 . 23 108 - 114 . DOI: 10.1007/s10854-011-0485-8 http://doi.org/10.1007/s10854-011-0485-8 .

Nagai, T.; Aoki, N.; Ochiai, Y.; Hoshino, K. . Electric conductivity-tunable transparent flexible nanowire-filled polymer composites: orientation control of nanowires in a magnetic field . ACS Appl. Mater. Interfaces , 2011 . 3 2341 - 2348 . DOI: 10.1021/am200260v http://doi.org/10.1021/am200260v .

Lyons, P. E.; De, S.; Elias, J.; Schamel, M.; Philippe, L.; Bellew, A. T.; Boland, J. J.; Coleman, J. N. . High-performance transparent conductors from networks of gold nanowires . J. Phys. Chem. Lett. , 2011 . 2 3058 - 3062 . DOI: 10.1021/jz201401e http://doi.org/10.1021/jz201401e .

Bréchet, Y.; Cavaillé, J. Y.; Chabert, E.; Chazeau, L.; Dendievel, R.; Flandin, L.; Gauthier, C. . Polymer based nanocomposites: effect of filler-filler and filler-matrix interactions . Adv. Eng. Mater. , 2001 . 3 571 - 577 . DOI: 10.1002/1527-2648(200108)3:8<571::AID-ADEM571>3.0.CO;2-M http://doi.org/10.1002/1527-2648(200108)3:8<571::AID-ADEM571>3.0.CO;2-M .

White, S. I.; Mutiso, R. M.; Vora, P. M.; Jahnke, D.; Hsu, S.; Kikkawa, J. M.; Li, J.; Fischer, J. E.; Winey, K. I. . Electrical percolation behavior in silver nanowire-polystyrene composites: simulation and experiment . Adv. Funct. Mater. , 2010 . 20 2709 - 2716 . DOI: 10.1002/adfm.201000451 http://doi.org/10.1002/adfm.201000451 .

Li, Y.; Zhu, J.; Wei, S.; Ryu, J.; Wang, Q.; Sun, L.; Guo, Z. . Poly(propylene) nanocomposites containing various carbon nanostructures . Macromol. Chem. Phys. , 2011 . 212 2429 - 2438 . DOI: 10.1002/macp.201100364 http://doi.org/10.1002/macp.201100364 .

Srivastava, S.; Agarwal, P.; Archer, L. A. . Tethered nanoparticle-polymer composites: phase stability and curvature . Langmuir , 2012 . 28 6276 - 6281 . DOI: 10.1021/la2049234 http://doi.org/10.1021/la2049234 .

Chevigny, C.; Dalmas, F.; Di Cola, E.; Gigmes, D.; Bertin, D.; Boué, F.; Jestin, J. . Polymer-grafted-nanoparticles nanocomposites: dispersion, grafted chain conformation, and rheological behavior . Macromolecules , 2011 . 44 122 - 133 . DOI: 10.1021/ma101332s http://doi.org/10.1021/ma101332s .

Kumar, S. K.; Jouault, N.; Benicewicz, B.; Neely, T. . Nanocomposites with polymer grafted nanoparticles . Macromolecules , 2013 . 46 3199 - 3214 . DOI: 10.1021/ma4001385 http://doi.org/10.1021/ma4001385 .

Kumar, S. K.; Benicewicz, B. C.; Vaia, R. A.; Winey, K. I. . 50 th Anniversary perspective: are polymer nanocomposites practical for applications? . Macromolecules , 2017 . 50 714 - 731 . DOI: 10.1021/acs.macromol.6b02330 http://doi.org/10.1021/acs.macromol.6b02330 .

Liu, X.; Krückel, J.; Zheng, G.; Schubert, D. W. . Mapping the electrical conductivity of poly(methyl methacrylate)/carbon black composites prior to and after shear . ACS Appl. Mater. Interfaces , 2013 . 5 8857 - 8860 . DOI: 10.1021/am4031517 http://doi.org/10.1021/am4031517 .

Liu, X.; Krückel, J.; Zheng, G.; Schubert, D. W. . Electrical conductivity behaviour of sheared poly(methyl methacrylate)/carbon black composites . Compos. Sci. Technol. , 2014 . 100 99 - 104 . DOI: 10.1016/j.compscitech.2014.06.005 http://doi.org/10.1016/j.compscitech.2014.06.005 .

Skipa, T.; Lellinger, D.; Böhm, W.; Saphiannikova, M.; Alig, I. . Influence of shear deformation on carbon nanotube networks in polycarbonate melts: interplay between build-up and destruction of agglomerates . Polymer , 2010 . 51 201 - 210 . DOI: 10.1016/j.polymer.2009.11.047 http://doi.org/10.1016/j.polymer.2009.11.047 .

Bauhofer, W.; Schulz, S. C.; Eken, A. E.; Skipa, T.; Lellinger, D.; Alig, I.; Tozzi, E. J.; Klingenberg, D. J. . Shear-controlled electrical conductivity of carbon nanotubes networks suspended in low and high molecular weight liquids . Polymer , 2010 . 51 5024 - 5027 . DOI: 10.1016/j.polymer.2010.09.013 http://doi.org/10.1016/j.polymer.2010.09.013 .

Gao, Y.; Cao, D.; Liu, J.; Shen, J.; Wu, Y.; Zhang, L. . Molecular dynamics simulation of the conductivity mechanism of nanorod filled polymer nanocomposites . Phys. Chem. Chem. Phys. , 2015 . 17 22959 - 22968 . DOI: 10.1039/C5CP01953B http://doi.org/10.1039/C5CP01953B .

Ma, H. M.; Gao, X. L. . A three-dimensional Monte Carlo model for electrically conductive polymer matrix composites filled with curved fibers . Polymer , 2008 . 49 4230 - 4238 . DOI: 10.1016/j.polymer.2008.07.034 http://doi.org/10.1016/j.polymer.2008.07.034 .

Bao, W. S.; Meguid, S. A.; Zhu, Z. H.; Pan, Y.; Weng, G. J. . Effect of carbon nanotube geometry upon tunneling assisted electrical network in nanocomposites . J. Appl. Phys. , 2013 . 113 234313 DOI: 10.1063/1.4809767 http://doi.org/10.1063/1.4809767 .

Duan, X.; Zhang, H.; Liu, J.; Gao, Y.; Zhao, X.; Zhang, L. . Optimizing the electrical conductivity of polymer nanocomposites under the shear field by hybrid fillers: insights from molecular dynamics simulation . Polymer , 2019 . 168 138 - 145 . DOI: 10.1016/j.polymer.2019.02.028 http://doi.org/10.1016/j.polymer.2019.02.028 .

Kwon, S.; Cho, H. W.; Gwon, G.; Kim, H.; Sung, B. J. . Effects of shape and flexibility of conductive fillers in nanocomposites on percolating network formation and electrical conductivity . Phys. Rev. E , 2016 . 93 032501 .

Gao, Y.; Qu, F.; Wang, W.; Li, F.; Zhao, X.; Zhang, L. . Increasing the electrical conductivity of polymer nanocomposites under the external field by tuning nanofiller shape . Compos. Sci. Technol. , 2019 . 176 37 - 45 . DOI: 10.1016/j.compscitech.2019.03.025 http://doi.org/10.1016/j.compscitech.2019.03.025 .

Gong, S.; Wang, Y.; Xiao, Z.; Li, Z.; Wang, Z. X.; Lei, R. S.; Zhu, Z. H. . Effect of temperature on the electrical property of epoxy composites with carbon nanotube . Compos. Sci. Technol. , 2017 . 149 48 - 54 . DOI: 10.1016/j.compscitech.2017.06.012 http://doi.org/10.1016/j.compscitech.2017.06.012 .

Pryamtisyn, V.; Ganesan, V.; Panagiotopoulos, A. Z.; Liu, H.; Kumar, S. K. . Modeling the anisotropic self-assembly of spherical polymer-grafted nanoparticles . J. Chem. Phys. , 2009 . 131 221102 DOI: 10.1063/1.3267729 http://doi.org/10.1063/1.3267729 .

Jayaraman, A.; Schweizer, K. S. . Effective interactions and self-Assembly of hybrid polymer grafted nanoparticles in a homopolymer matrix . Macromolecules , 2009 . 42 8423 - 8434 . DOI: 10.1021/ma901631x http://doi.org/10.1021/ma901631x .

Akcora, P.; Liu, H.; Kumar, S. K.; Moll, J.; Li, Y.; Benicewicz, B. C.; Schadler, L. S.; Acehan, D.; Panagiotopoulos, A. Z.; Pryamitsyn, V.; Ganesan, V.; Ilavsky, J.; Thiyagarajan, P.; Colby, R. H.; Douglas, J. F. . Anisotropic self-assembly of spherical polymer-grafted nanoparticles . Nat. Mater. , 2009 . 8 354 - 359 . DOI: 10.1038/nmat2404 http://doi.org/10.1038/nmat2404 .

Harton, S. E.; Kumar, S. K. . Mean-field theoretical analysis of brush-coated nanoparticle dispersion in polymer matrices . J. Polym. Sci., Part B: Polym. Phys. , 2008 . 46 351 - 358 . DOI: 10.1002/polb.21346 http://doi.org/10.1002/polb.21346 .

Eken, A. E.; Tozzi, E. J.; Klingenberg, D. J.; Bauhofer, W. . Combined effects of nanotube aspect ratio and shear rate on the carbon nanotube/polymer composites . Polymer , 2012 . 53 4493 - 4500 . DOI: 10.1016/j.polymer.2012.07.045 http://doi.org/10.1016/j.polymer.2012.07.045 .

Eken, A. E.; Tozzi, E. J.; Klingenberg, D. J.; Bauhofer, W. . A simulation study on the effects of shear flow on the microstructure and electrical properties of carbon nanotube/polymer composites . Polymer , 2011 . 52 5178 - 5185 . DOI: 10.1016/j.polymer.2011.08.041 http://doi.org/10.1016/j.polymer.2011.08.041 .

Gao, Y.; Cao, D.; Wu, Y.; Liu, J.; Zhang, L. . Destruction and recovery of a nanorod conductive network in polymer nanocomposites via molecular dynamics simulation . Soft Matter , 2016 . 12 3074 - 3083 . DOI: 10.1039/C5SM02803E http://doi.org/10.1039/C5SM02803E .

Kwon, G.; Heo, Y.; Shin, K.; Sung, B. J. . Electrical percolation networks of carbon nanotubes in a shear flow . Phys. Rev. E , 2012 . 85 011143 DOI: 10.1103/PhysRevE.85.011143 http://doi.org/10.1103/PhysRevE.85.011143 .

Zare, Y.; Rhee, K. Y. . A simple model for electrical conductivity of polymer carbon nanotubes nanocomposites assuming the filler properties, interphase dimension, network level, interfacial tension and tunneling distance . Compos. Sci. Technol. , 2018 . 155 252 - 260 . DOI: 10.1016/j.compscitech.2017.10.007 http://doi.org/10.1016/j.compscitech.2017.10.007 .

Zhang, H.; Li, H.; Hu, F.; Wang, W.; Zhao, X.; Gao, Y.; Zhang, L. . Cavitation, crazing and bond scission in chemically cross-linked polymer nanocomposites . Soft Matter , 2019 . 15 9195 - 9204 . .

Hu, F.; Nie, Y.; Li, F.; Liu, J.; Gao, Y.; Wang, W.; Zhang, L. . Molecular dynamics simulation study of the fracture properties of polymer nanocomposites filled with grafted nanoparticles . Phys. Chem. Chem. Phys. , 2019 . 21 11320 - 11328 . DOI: 10.1039/C8CP07668E http://doi.org/10.1039/C8CP07668E .

Golmohammadi, N.; Boland-Hemmat, M.; Barahmand, S.; Eslami, H. . Coarse-grained molecular dynamics simulations of poly(ethylene terephthalate) . J. Chem. Phys. , 2020 . 152 114901 DOI: 10.1063/1.5145142 http://doi.org/10.1063/1.5145142 .

Chao, H.; Riggleman, R. A. . Effect of particle size and grafting density on the mechanical properties of polymer nanocomposites . Polymer , 2013 . 54 5222 - 5229 . DOI: 10.1016/j.polymer.2013.07.018 http://doi.org/10.1016/j.polymer.2013.07.018 .

Raos, G.; Moreno, M.; Elli, S. . Computational experiments on filled rubber viscoelasticity: what is the role of particle-particle Interactions? . Macromolecules , 2006 . 39 6744 - 6751 . DOI: 10.1021/ma061008h http://doi.org/10.1021/ma061008h .

Srinivas, G.; Discher, D. E.; Klein, M. L. . Self-assembly and properties of diblock copolymers by coarse-grain molecular dynamics . Nat. Mater. , 2004 . 3 638 - 644 . DOI: 10.1038/nmat1185 http://doi.org/10.1038/nmat1185 .

Plimpton, S. . Fast parallel algorithms for short-range molecular dynamics . J. Comput. Phys. , 1995 . 117 1 - 19 . DOI: 10.1006/jcph.1995.1039 http://doi.org/10.1006/jcph.1995.1039 .

van Beek, L. K. H.; van Pul, B. I. C. F. . Internal field emission in carbon black-loaded natural rubber vulcanizates . J. Appl. Polym. Sci. , 1962 . 6 651 - 655 . DOI: 10.1002/app.1962.070062408 http://doi.org/10.1002/app.1962.070062408 .

Cao, Q.; Song, Y.; Tan, Y.; Zheng, Q. . Conductive and viscoelastic behaviors of carbon black filled polystyrene during annealing . Carbon , 2010 . 48 4268 - 4275 . DOI: 10.1016/j.carbon.2010.07.036 http://doi.org/10.1016/j.carbon.2010.07.036 .

Sisk, B. C.; Lewis, N. S. . Vapor sensing using polymer/carbon black composites in the percolative conduction regime . Langmuir , 2006 . 22 7928 - 7935 . DOI: 10.1021/la053287s http://doi.org/10.1021/la053287s .

Smith, G. D.; Bedrov, D. . Dispersing nanoparticles in a polymer matrix: are long, dense polymer tethers really necessary? . Langmuir , 2009 . 25 11239 - 11243 . DOI: 10.1021/la902329v http://doi.org/10.1021/la902329v .

Smith, J. S.; Bedrov, D.; Smith, G. D. . A molecular dynamics simulation study of nanoparticle interactions in a model polymer-nanoparticle composite . Compos. Sci. Technol. , 2003 . 63 1599 - 1605 . DOI: 10.1016/S0266-3538(03)00061-7 http://doi.org/10.1016/S0266-3538(03)00061-7 .

Moll, J. F.; Akcora, P.; Rungta, A.; Gong, S.; Colby, R. H.; Benicewicz, B. C.; Kumar, S. K. . Mechanical reinforcement in polymer melts filled with polymer grafted nanoparticles . Macromolecules , 2011 . 44 7473 - 7477 . DOI: 10.1021/ma201200m http://doi.org/10.1021/ma201200m .

Nam, S.; Cho, H. W.; Lim, S.; Kim, D.; Kim, H.; Sung, B. J. . Enhancement of electrical and thermomechanical properties of silver nanowire composites by the introduction of nonconductive nanoparticles: experiment and simulation . ACS Nano , 2013 . 7 851 - 856 . DOI: 10.1021/nn305439t http://doi.org/10.1021/nn305439t .

Hooper, J. B.; Schweizer, K. S. . Contact aggregation, bridging, and steric stabilization in dense polymer-particle mixtures . Macromolecules , 2005 . 38 8858 - 8869 . DOI: 10.1021/ma051318k http://doi.org/10.1021/ma051318k .

Patra, T. K.; Singh, J. K. . Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: dispersion vs agglomeration . J. Chem. Phys. , 2013 . 138 144901 DOI: 10.1063/1.4799265 http://doi.org/10.1063/1.4799265 .

Evans, D. J.; Morriss, G. P. . Nonlinear-response theory for steady planar Couette flow . Phys. Rev. A , 1984 . 30 1528 - 1530 . DOI: 10.1103/PhysRevA.30.1528 http://doi.org/10.1103/PhysRevA.30.1528 .

Lees, A. W.; Edwards, S. F. . The computer study of transport processes under extreme conditions . J. Phys. C: Solid State Phys. , 1972 . 5 1921 DOI: 10.1088/0022-3719/5/15/006 http://doi.org/10.1088/0022-3719/5/15/006 .

Hiemenz, P. C.; Lodge, T. P. Polymer chemistry . CRC Press: London, New York, 2007 , p. 587.

Rungta, A.; Natarajan, B.; Neely, T.; Dukes, D.; Schadler, L. S.; Benicewicz, B. C. . Grafting bimodal polymer brushes on nanoparticles using controlled radical polymerization . Macromolecules , 2012 . 45 9303 - 9311 . DOI: 10.1021/ma3018876 http://doi.org/10.1021/ma3018876 .

Larson, R. G. The structure and rheology of complex fluids . Oxford University Press: New York, 1999 , p. 663.

Zhang, C.; Ma, C. A.; Wang, P.; Sumita, M. . Temperature dependence of electrical resistivity for carbon black filled ultra-high molecular weight polyethylene composites prepared by hot compaction . Carbon , 2005 . 43 2544 - 2553 . DOI: 10.1016/j.carbon.2005.05.006 http://doi.org/10.1016/j.carbon.2005.05.006 .

Gubbels, F.; Blacher, S.; Vanlathem, E.; Jerome, R.; Deltour, R.; Brouers, F.; Teyssie, P. . Design of electrical composites: determining the role of the morphology on the electrical properties of carbon black filled polymer blends . Macromolecules , 1995 . 28 1559 - 1566 . DOI: 10.1021/ma00109a030 http://doi.org/10.1021/ma00109a030 .

Yoon, J. T.; Lee, S. C.; Jeong, Y. G. . Effects of grafted chain length on mechanical and electrical properties of nanocomposites containing polylactide-grafted carbon nanotubes . Compos. Sci. Technol. , 2010 . 70 776 - 782 . DOI: 10.1016/j.compscitech.2010.01.011 http://doi.org/10.1016/j.compscitech.2010.01.011 .

Views

Downloads

CSCD

Alert me when the article has been cited

Submit

Tools

Publicity Resources

Sliding Dynamics of Ring Chain on a Rod-Coil Block Copolymer in Rotaxane

Length-dependent Nanopore Transport and Surface-induced Unfolding of Polyglutamine Chains

Simulation of the Specific Contributions of Molecular Weight, Orientation Degree, and Crystallinity to the Tensile Mechanics of Polyethylene Fibers

Energy Storage Performance of Supercapacitors with Polyelectrolyte Surface Coatings: Effects of Dielectric Contrast

Squaramide-directed Cooperative One-dimensional Assembly in Telechelic Polydimethylsiloxane for Hierarchical Network Formation

Related Author

Si-Yi Yan

Xiang-Hong Wang

Ke Li

Lin-Li He

Mei Feng

Nan Wang

Yan Wang

Bi-Jun Xu

Related Institution

Department of Physics, Wenzhou University

Shanghai Technical Institute of Electronics & Information

College of Electronics and Information Engineering, Shanghai University of Electric Power

Department of Physics, Zhejiang University of Science and Technology

Zhejiang Key Laboratory of Biomedical Intelligent Computing Technology

⁰