Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity

Guo-Dong Zhang; Lin Fan; Lan Bai; Min-Hui He; Lei Zhai; Song Mo

doi:10.1007/s10118-018-2155-2

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Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity

ARTICLE | Updated：2021-02-18

- Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity
- Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity
- Chinese Journal of Polymer Science 2018年36卷第12期页码：1394-1402
- Affiliations：
  
  a.Laboratory of Advanced Polymer Materials, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
  b.School of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
- Author bio：
  
  fanlin@iccas.ac.cn
- Funds：
  
  We thank Prof. Hongxia Guo and Ms. Chenchen Hu for their helpful discussion. The computational resources for this research are provided by National Supercomputing Center in Shenzhen (Shenzhen Cloud Computing Center).
- DOI：10.1007/s10118-018-2155-2
  中图分类号：
- 收稿：2018-04-17，
  
  修回：2018-5-7，
  
  录用：2018-5-8，
  
  网络首发：2018-06-12，
  
  纸质出版：2018-12
- Accepted：
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Citation: Zhang, G. D.; Fan, L.; Bai, L.; He, M. H.; Zhai, L.; Mo, S. Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity. Chinese J. Polym. Sci. 2018, 36(12), 1394–1402

Guo-Dong Zhang, Lin Fan, Lan Bai, et al. Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity[J]. Chinese Journal of Polymer Science, 2018, 36(12): 1394-1402.
Citation: Zhang, G. D.; Fan, L.; Bai, L.; He, M. H.; Zhai, L.; Mo, S. Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity. Chinese J. Polym. Sci. 2018, 36(12), 1394–1402 DOI： 10.1007/s10118-018-2155-2.

Guo-Dong Zhang, Lin Fan, Lan Bai, et al. Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity[J]. Chinese Journal of Polymer Science, 2018, 36(12): 1394-1402. DOI： 10.1007/s10118-018-2155-2.

摘要

Abstract

The mesoscopic simulation technique was applied to describe the phase separation behavior of polyimide blends and used for design of immiscible polyimide/BN blend films with enhanced thermal conductivity. The simulation equilibrium morphologies of different poly(amic acid) (PAA) blend systems were investigated and compared with optical images of corresponding polyimide blend films obtained by experiment. The immiscible polyimide blend films containing nano-/micro-sized BN with vertical double percolation structure were prepared. The result indicated that the thermal conductivity of polyimide blend film with 25 wt% nano-sized BN reached 1.16 W/(m·K)

which was 236% increment compared with that of the homogenous film containing the same BN ratio. The significant enhancement in thermal conductivity was attributed to the good phase separation of polyimide matrix

which made the inorganic fillers selectively localized in one continuous phase with high packing density

consequently

forming the effective thermal conductive pathway.

关键词

Keywords

references

Liaw, D. J.; Wang, K. L.; Huang, Y. C.; Lee, K. R.; Lai, J. Y.; Ha, C. S . Advanced polyimide materials: Syntheses, physical properties and applications . Prog. Polym. Sci. , 2012 . 37 ( 7 ): 907 - 974 . DOI: 10.1016/j.progpolymsci.2012.02.005 http://doi.org/10.1016/j.progpolymsci.2012.02.005 .

Tong, H.; Hu, C. C.; Yang, S. Y.; Ma, Y. P.; Guo, H. X.; Fan, L . Preparation of fluorinated polyimides with bulky structure and their gas separation performance correlated with microstructure . Polymer , 2015 . 69 138 - 147 . DOI: 10.1016/j.polymer.2015.05.045 http://doi.org/10.1016/j.polymer.2015.05.045 .

Wen, Y.; Liu, H.; Yang, S. Y.; Fan, L . Transparent and conductive indium tin oxide/polyimide films prepared by high-temperature radio-frequency magnetron sputtering . J. Appl. Polym. Sci. , 2015 . 132 ( 44 ): 42753 - 42764 . DOI: 10.1002/app.42753 http://doi.org/10.1002/app.42753 .

Chen, H. Y.; Ginzburg, V. V.; Yang, J.; Yang, Y. F.; Liu, W.; Huang, Y.; Du, L. B.; Chen, B . Thermal conductivity of polymer-based composites: Fundamentals and applications . Prog. Polym. Sci. , 2016 . 59 41 - 85 . DOI: 10.1016/j.progpolymsci.2016.03.001 http://doi.org/10.1016/j.progpolymsci.2016.03.001 .

Gu, J. W.; Lv, Z. Y.; Wu, Y. L.; Guo, Y. Q.; Tian, L. D.; Qiu, H.; Li, W. Z.; Zhang, Q. Y . Dielectric thermally conductive boron nitride/polyimide composites with outstanding thermal stabilities via in-situ polymerization-electrospinning-hot press method . Compos. Part A-Appl. S. , 2017 . 94 209 - 216 . DOI: 10.1016/j.compositesa.2016.12.014 http://doi.org/10.1016/j.compositesa.2016.12.014 .

Kuo, D. H.; Lin, C. Y.; Jhou, Y. C.; Cheng, J. Y.; Liou, G. S . Thermal conductive performance of organosoluble polyimide/BN and polyimide/(BN plus AlN) composite films fabricated by a solution-cast method . Polym. Compos. , 2013 . 34 ( 2 ): 252 - 258 . DOI: 10.1002/pc.22396 http://doi.org/10.1002/pc.22396 .

Tsai, M. H.; Tseng, I. H.; Chiang, J. C.; Li, J. J . Flexible polyimide films hybrid with functionalized boron nitride and graphene oxide simultaneously to improve thermal conduction and dimensional stability . ACS Appl. Mater. Interfaces , 2014 . 6 ( 11 ): 8639 - 8645 . DOI: 10.1021/am501323m http://doi.org/10.1021/am501323m .

Yu, X. Y.; Qu, X. W.; Naito, K.; Zhang, Q. X . Synthesis, tensile, and thermal properties of polyimide/diamond nanocomposites . J. Reinf. Plast. Compos. , 2011 . 30 ( 8 ): 661 - 670 . DOI: 10.1177/0731684411404457 http://doi.org/10.1177/0731684411404457 .

Li, H. Y.; Ning, S. F.; Hu, H. B.; Bin, L.; Chen, W.; Chen, S. T . Synthesis and electrical properties of polyimide-Al 2 O 3 composites . Chinese J. Polym. Sci. , 2007 . 25 ( 3 ): 271 - 276 . DOI: 10.1142/S0256767907002102 http://doi.org/10.1142/S0256767907002102 .

Yu, S.; Lee, J. W.; Han, T. H.; Park, C.; Kwon, Y.; Hong, S. M.; Koo, C. M . Copper shell networks in polymer composites for efficient thermal conduction . ACS Appl. Mater. Interfaces , 2013 . 5 ( 22 ): 11618 - 11622 . DOI: 10.1021/am4030406 http://doi.org/10.1021/am4030406 .

Choi, S.; Kim, K.; Nam, J.; Shim, S. E . Synthesis of silica-coated graphite by enolization of polyvinylpyrrolidone and its thermal and electrical conductivity in polymer composites . Carbon , 2013 . 60 254 - 265 . DOI: 10.1016/j.carbon.2013.04.034 http://doi.org/10.1016/j.carbon.2013.04.034 .

Li, T. L.; Hsu, S. L . Enhanced thermal conductivity of polyimide films via a hybrid of micro- and nano-sized boron nitride . J. Phys. Chem. B , 2010 . 114 ( 20 ): 6825 - 6829 . DOI: 10.1021/jp101857w http://doi.org/10.1021/jp101857w .

Shoji, Y.; Higashihara, T.; Tokita, M.; Morikawa, J.; Watanabe, J.; Ueda, M . Thermal diffusivity of hexagonal boron nitride composites based on cross-linked liquid crystalline polyimides . ACS Appl. Mater. Interfaces , 2013 . 5 ( 8 ): 3417 - 3423 . DOI: 10.1021/am400460p http://doi.org/10.1021/am400460p .

Murakami, T.; Ebisawa, K.; Miyao, K.; Ando, S . Enhanced thermal conductivity in polyimide/silver particle composite films based on spontaneous formation of thermal conductive paths . J. Photopolym. Sci. Technol. , 2014 . 27 ( 2 ): 187 - 191 . DOI: 10.2494/photopolymer.27.187 http://doi.org/10.2494/photopolymer.27.187 .

Cao, J. P.; Zhao, X.; Zhao, J.; Zha, J. W.; Hu, G. H.; Dang, Z. M . Improved thermal conductivity and flame retardancy in polystyrene/poly(vinylidene fluoride) blends by controlling selective localization and surface modification of SiC nanoparticles . ACS Appl. Mater. Interfaces , 2013 . 5 ( 15 ): 6915 - 6924 . DOI: 10.1021/am401703m http://doi.org/10.1021/am401703m .

Yuan, D. B.; Gao, Y. F.; Guo, Z. X.; Yu, J . Improved thermal conductivity of ceramic filler-filled polyamide composites by using PA6/PA66 1:1 blend as matrix . J. Appl. Polym. Sci. , 2017 . 134 ( 40 ): 45371 - 45377 . DOI: 10.1002/app.v134.40 http://doi.org/10.1002/app.v134.40 .

Yorifuji, D.; Ando, S . Enhanced thermal conductivity over percolation threshold in polyimide blend films containing ZnO nano-pyramidal particles: Advantage of vertical double percolation structure . J. Mater. Chem. , 2011 . 21 ( 12 ): 4402 - 4407 . DOI: 10.1039/c0jm04243a http://doi.org/10.1039/c0jm04243a .

Yorifuji, D.; Ando, S . Enhanced thermal diffusivity by vertical double percolation structures in polyimide blend films containing silver nano particles . Macromol. Chem. Phys. , 2010 . 211 ( 19 ): 2118 - 2124 . DOI: 10.1002/macp.v211:19 http://doi.org/10.1002/macp.v211:19 .

Sato, K.; Horibe, H.; Shirai, T.; Hotta, Y.; Nakano, H.; Nagai, H.; Mitsuishi, K.; Watari, K . Thermally conductive composite films of hexagonal boron nitride and polyimide with affinity-enhanced interfaces . J. Mater. Chem. , 2010 . 20 ( 14 ): 2749 - 2752 . DOI: 10.1039/b924997d http://doi.org/10.1039/b924997d .

Tanimoto, M.; Yamagata, T.; Miyata, K.; Ando, S . Anisotropic thermal diffusivity of hexagonal boron nitride-filled polyimide films: Effects of filler particle size, aggregation, orientation, and polymer chain rigidity . ACS Appl. Mater. Interfaces , 2013 . 5 ( 10 ): 4374 - 4382 . DOI: 10.1021/am400615z http://doi.org/10.1021/am400615z .

Zhou, W.; Zuo, J.; Zhang, X.; Zhou, A . Thermal, electrical, and mechanical properties of hexagonal boron nitride-reinforced epoxy composites . J. Compos. Mater. , 2013 . 48 ( 20 ): 2517 - 2526 . DOI: 10.1177/0021998313499953 http://doi.org/10.1177/0021998313499953 .

Wang, C.; Paddison, S. J . Mesoscale modeling of hydrated morphologies of sulfonated polysulfone ionomers . Soft Matter , 2014 . 10 ( 6 ): 819 - 830 . DOI: 10.1039/C3SM52330F http://doi.org/10.1039/C3SM52330F .

Zhong, T. P.; Ai, P. F.; Zhou, J . Structures and properties of pamam dendrimer: A multi-scale simulation study . Fluid Phase Equilib. , 2011 . 302 ( 1-2 ): 43 - 47 . DOI: 10.1016/j.fluid.2010.09.037 http://doi.org/10.1016/j.fluid.2010.09.037 .

Xue, Z. J.; Liu, X. Y.; Zhuang, Q. X.; Hu, K.; Han, Z. W . Molecular simulation of the effect of graft structure on the miscibility of high-impact polystyrene blends . Polym. Compos. , 2012 . 33 ( 3 ): 430 - 435 . DOI: 10.1002/pc.v33.3 http://doi.org/10.1002/pc.v33.3 .

Yu, G.; Liu, J.; Zhou, J . Mesoscopic coarse-grained simulations of lysozyme adsorption . J. Phys. Chem. B , 2014 . 118 ( 17 ): 4451 - 4460 . DOI: 10.1021/jp409326f http://doi.org/10.1021/jp409326f .

Zhuang, Q. X.; Xue, Z. J.; Liu, X. Y.; Yuan, Y. L.; Han, Z. W . Molecular simulation of miscibility of poly(2,6-dimethyl-1,4-phenylene ether)/poly(styrene- co -acrylonitrile) blend with the compatibilizer triblock terpolymer sbm . Polym. Compos. , 2011 . 32 ( 10 ): 1671 - 1680 . DOI: 10.1002/pc.v32.10 http://doi.org/10.1002/pc.v32.10 .

Chen, H. Y.; Wu, J. H.; Luo, S. J.; Xi, H. X.; Qian, Y . Mesodyn and experimental approach to the structural fabrication and pore-size adjustment of SBA-15 molecular sieves . Adsorpt. Sci. Technol. , 2009 . 27 ( 6 ): 579 - 592 . DOI: 10.1260/0263-6174.27.6.579 http://doi.org/10.1260/0263-6174.27.6.579 .

Luo, X.; Xie, S. J.; Huang, W.; Dai, B. N.; Lu, Z. Y.; Yan, D. Y . Effect of branching architecture on glass transition behavior of hyperbranched copolystyrenes: The experiment and simulation studies . Chinese J. Polym. Sci. , 2015 . 34 ( 1 ): 77 - 87 . DOI: 10.1007/s10118-016-1730-7 http://doi.org/10.1007/s10118-016-1730-7 .

Ouyang, Y. T.; Guo, H. X . Phase behavior of amphiphiles at liquid crystals/water interface: A coarse-grained molecular dynamics study . Chinese J. Polym. Sci. , 2014 . 32 ( 10 ): 1298 - 1310 . DOI: 10.1007/s10118-014-1520-z http://doi.org/10.1007/s10118-014-1520-z .

Tanaka, T.; Yamaguchi, K.; Yamamoto, S . Rhodamine-B-doped and Au(III)-doped PMMA film for three-dimensional multi-layered optical memory . Opt. Commun. , 2002 . 212 ( 1-3 ): 45 - 50 . DOI: 10.1016/S0030-4018(02)01965-X http://doi.org/10.1016/S0030-4018(02)01965-X .

Kumacheva, E.; Kalinina, O.; Lilge, L . Three-dimensional arrays in polymer nanocomposites . Adv. Mater. , 1999 . 11 ( 3 ): 231 - 234 . DOI: 10.1002/(ISSN)1521-4095 http://doi.org/10.1002/(ISSN)1521-4095 .

Chen, H.; Ginzburg, V.; Yang, J.; Yang, Y. F.; Liu, W.; Huang, Y.; Du, L. B.; Chen, B . Thermal conductivity of polymer-based composites: Fundamentals and applications . Prog. Polym. Sci. , 2016 . 59 41 - 85 . DOI: 10.1016/j.progpolymsci.2016.03.001 http://doi.org/10.1016/j.progpolymsci.2016.03.001 .

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