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Formation of polynylon12/carbon nanotubes composites through self-coiling process: a molecular dynamic simulation

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Abstract

Nylon12, a kind of polyamide with long carbon chain, who has low density, low melting point, good thermal stability, and high decomposition temperature, is widely used in various fields, such as automobile system pipeline, chemical petroleum pipeline, and hydraulic transmission system. In the present work, the nylon12 self-coiling into the single-walled carbon nanotubes was studied by the molecular dynamics simulations. The results display that the nylon12 can coil into the inside of carbon nanotubes spontaneously and form a helical structure finally. Furthermore, the morphology of nylon12 self-coiling into the inside of single-walled carbon nanotubes was investigated by mean square displacement, the radius of gyration, radial distribution function, and so on. Moreover, the influence factors such as the number of polymer chain, the layer-number of nanotube were also discussed in detail. These results will help to better understand the interaction between nylon and CNT and also guide the fabrication of high performance polymer/CNT nanocomposites.

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References

  • Avinash B, Yiu-Wing M, Shing-Chung W, Mojtaba A, Xusheng D (2010) Mechanical behavior of self-assembled carbon nanotubes reinforced nylon 6,6 fibers. Compos Sci Technol 70(9):1401–1409

    Article  Google Scholar 

  • Bunte SW, Sun H (2000) Molecular modeling of energetic materials: the parameterization and validation of nitrate esters in the COMPASS force field. J Phys Chem B 104:2477–2489

    Article  CAS  Google Scholar 

  • Ching-Chen L, Chieh-Lien L, Yu-Tang L, Bee-Yu W, Wen-Kuang H (2009) Creation of interfacial phonons by carbon nanotube–polymer couplingw. Phys Chem Chem Phys 11:6034–6037

    Article  Google Scholar 

  • Danhui Z, Houbo Y, Zhongkui L, Anmin L (2019) Molecular dynamics simulations of single-walled carbon nanotubes and polynylon66. Int J Mod Phys B 33:1950258

    Article  Google Scholar 

  • Eun YC, Mu HK, Kim CK (2019) Fabrication of carbon fiber grafted with acyl chloride functionalized multi-walled carbon nanotubes for mechanical reinforcement of nylon 6,6. Compos Sci Technol 178:33–40

    Article  Google Scholar 

  • Hyeonseong B, Se YC, Young SY, Hyoung-Joon J (2010) Electrically conductive transparent films based on nylon 6 membranes and single-walled carbon nanotubes. Curr Appl Phys 10(3):s468–s472

    Article  Google Scholar 

  • Jin J, Rafiq R, Gill YQ, Song M (2013) Preparation and characterization of high performance of graphene/nylon nanocomposites. Eur Polym J 49:2617–2626

    Article  CAS  Google Scholar 

  • Junfeng W, Siyu D, Shihai Y, Chao L (2020) Grafting polymer sulfur onto carbon nanotube as highly-active cathode for lithium–sulfur batteries. J Energy Chem 42:27–33

    Article  Google Scholar 

  • Junjie C, Jiecheng H, Deguang X (2019) Thermal expansion properties of the polycaprolactam nanocomposites reinforced with single-walled carbon nanotubes. Results Phys 12:1645–1652

    Article  Google Scholar 

  • Jun-Sheng Y, Chuan-Lu Y, Mei-Shan W, Bao-Dong C, Xiao-Guang M (2012) Effect of functionalization on the interfacial binding energy of carbon nanotube/nylon6 nanocomposites: a molecular dynamics study. RSC Adv 2:2836–2841

    Article  Google Scholar 

  • Kim H, Abdala AA, Macosko CW (2010) Graphene/polymer nanocomposites. Macromolecules 43(16):6515–6530

    Article  CAS  Google Scholar 

  • Li H, Knaup JM, Kaxiras E, Vlassak JJ (2011) Stiffening of organosilicate glasses by organic cross-linking. Acta Mater 59:44–52

    Article  CAS  Google Scholar 

  • Liu W, Yang CL, Zhu YT, Wang MS (2008) Interactions between single-walled carbon nanotubes and polyethylene/polypropylene/polystyrene/poly(phenylacetylene)/poly(p-phenylenevinylene) considering repeat unit arrangements and conformations: a molecular dynamics simulation study. J Phys Chem C 112:1803–1811

    Article  CAS  Google Scholar 

  • Mark JE (2007) Physical properties of polymers handbook. Springer, New York

    Book  Google Scholar 

  • Mzukisi M, Peter AA (2019) The vinyl pyridinium polymeric ionic liquid functionalized carbon nanotube composites as adsorbent for chromium(VI) in aqueous solution. J Mol Liq 296:111778

    Article  Google Scholar 

  • Peng X, Meguid SA (2017) Molecular simulations of the influence of defects and functionalization on the shear strength of carbon nanotube-epoxy polymer interfaces. Comput Mater Sci 126:204–216

    Article  CAS  Google Scholar 

  • Potts JR, Dreyer DR, Bielawski CW, Ruoff RF (2011) Graphene-based polymer nanocomposites. Polymer 52(1):5–25

    Article  CAS  Google Scholar 

  • Ravi RV, Wei-Jen PL, Kuo-Chung C, Kuo CH (2011) Enhanced electrical conductivity of nylon 6 composite using polyaniline-coated multi-walled carbon nanotubes as additives. Polymer 52(15):3337–3343

    Article  Google Scholar 

  • Reto H, Fangming D, John EF, Karen IW (2006) Interfacial in situ polymerization of single wall carbon nanotubes/nylon 6,6 nanocomposites. Polymer 47(7):2381–2388

    Article  Google Scholar 

  • Rouhi S, Alizadeh Y, Ansari R (2014) On the interfacial characteristics of polyethylene/single-walled carbon nanotubes using molecular dynamics simulations. Appl Surf Sci:958–970

  • Sang CR, Jisun K, Chang KK (2013) Characteristics of nylon 6,6/nylon 6,6 grafted multi-walled carbon nanotubes composites fabricated by reactive extrusion. Carbon 60:317–325

    Article  Google Scholar 

  • Sun H (1998) COMPASS: an ab initio force-field optimized for condensed-phase ApplicationsOverview with details on alkane and benzene compounds. J Phys Chem B 102:7338–7363

    Article  CAS  Google Scholar 

  • Tao X, Shen G, Xing L, Zhaohan J, Yang W, Di W, Zhu X, Zhenghong Z, Zhou L (2018) High temperature response capability in carbon nanotube/polymer nanocomposites. Compos Sci Technol 167:563–570

    Article  Google Scholar 

  • Teraoka I (2002) Polymer solutions: an introduction to physical properties. Wiley, New York

    Book  Google Scholar 

  • Xin-ting Z, Hua Y, Yan-zhen S, Jun-yin L, Miao S (2014) Molecular dynamics simulation on the effect of the distance between SWCNTs for short polymers diffusion among single wall carbon nanotubes. Comput Mater Sci 95:446–450

    Article  Google Scholar 

  • Yee P, Tianxi L, Ashiq M, Kumari PP, Ling C, Lu S, Shue YC, Chaobin H, Xiao H (2005) Morphology, thermal and mechanical properties of nylon 12/organocaly nanocomposites prepares by melt compounding. Polym Int 54(2):456–464

    Article  Google Scholar 

  • Yu B, Fu S, Wu ZQ, Bai HW, Ning NY, Fu Q (2012) Interaction between single-walled carbon nanotubes and polymers: a molecular dynamics simulation study with reactive force field. Comput Mater Sci 58:7–11

    Article  Google Scholar 

  • Zaminpayma E, Mirabbaszadeh K (2012) Interaction between single-walled carbon nanotubes and polymers: a molecular dynamics simulation study with reactive force field. Comput Mater Sci 58:7–11

    Article  CAS  Google Scholar 

  • Zhang DH, Yang HB, Liu ZK, Liu AM, Li YF (2017) Interfacial interaction between polypropylene and nanotube: a molecular dynamics simulation. J Mol Struct 1144:260–264

    Article  CAS  Google Scholar 

  • Zheng QB, Geng Y, Wang SJ, Li ZG, Kim JK (2010) Effects of functional groups on the mechanical and wrinkling properties of graphene sheets. Carbon 48:4315–4322

    Article  CAS  Google Scholar 

Download references

Funding

This investigation was supported by the Natural Science Foundation of China (No.51976087 and 11072057) and the Natural Science Foundation of Shandong province (No. ZR2015EL006 and ZR2018PEE004).

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Authors and Affiliations

  1. College of Mechanical and Vehicle Engineering, Linyi University, Linyi, 276005, Shandong, China

    Danhui Zhang, Ruquan Liang, Zhongkui Liu, Houbo Yang, Jianhui Shi & Yuanmei Song

  2. School of Chemical Engineering, Dalian University of Technology, Panjin, 124221, China

    Anmin Liu

Authors
  1. Danhui Zhang
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  2. Ruquan Liang
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  3. Zhongkui Liu
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  4. Houbo Yang
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  5. Jianhui Shi
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  6. Yuanmei Song
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  7. Anmin Liu
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Correspondence to Danhui Zhang.

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Zhang, D., Liang, R., Liu, Z. et al. Formation of polynylon12/carbon nanotubes composites through self-coiling process: a molecular dynamic simulation. J Nanopart Res 22, 173 (2020). https://doi.org/10.1007/s11051-020-04909-4

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  • DOI: https://doi.org/10.1007/s11051-020-04909-4

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