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上海大学微电子学院,上海 201800
*李浩源,E-mail: lihaoyuan@shu.edu.cn
纸质出版日期:2024-08,
收稿日期:2024-02-23,
录用日期:2024-04-06
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韩立鑫, 张涵, 熊良涛, 张建华, 李浩源. 聚酰亚胺机械应力作用下的水蒸气阻隔性与分子构象机制. 高分子通报, 2024, 37(8), 1061–1072
Han, L. X.; Zhang, H.; Xiong, L. T.; Zhang, J. H.; Li, H. Y. Water vapor barrier properties and molecular conformation mechanisms of polyimide under mechanical stress. Polym. Bull. (in Chinese), 2024, 37(8), 1061–1072
韩立鑫, 张涵, 熊良涛, 张建华, 李浩源. 聚酰亚胺机械应力作用下的水蒸气阻隔性与分子构象机制. 高分子通报, 2024, 37(8), 1061–1072 DOI: 10.14028/j.cnki.1003-3726.2024.24.054.
Han, L. X.; Zhang, H.; Xiong, L. T.; Zhang, J. H.; Li, H. Y. Water vapor barrier properties and molecular conformation mechanisms of polyimide under mechanical stress. Polym. Bull. (in Chinese), 2024, 37(8), 1061–1072 DOI: 10.14028/j.cnki.1003-3726.2024.24.054.
聚酰亚胺水蒸气阻隔性分子模拟自由体积链构象
PolyimideWater vapor barrier propertiesMolecular simulationFree volumeChain conformation
Yao, S. S.; Swetha, P.; Zhu, Y.Nanomaterial-enabled wearable sensors for healthcare. Adv. Healthc. Mater., 2018, 7(1), 1700889.
Ling, H. F.; Liu, S. H.; Zheng, Z. J.; Yan, F.Organic flexible electronics. Small Meth., 2018, 2(10), 1800070.
Corzo, D.; Tostado-Blázquez, G.; Baran, D.Flexible electronics: status, challenges and opportunities. Front. Electron., 2020, 1, 594003.
Liu, X. H.; Miao, J. L.; Fan, Q.; Zhang, W. X.; Zuo, X. W.; Tian, M. W.; Zhu, S. F.; Zhang, X. J.; Qu, L. J.Recent progress on smart fiber and textile based wearable strain sensors: materials, fabrications and applications. Adv. Fiber Mater., 2022, 4(3), 361–389.
Park, J. S.; Kim, G. U.; Lee, S.; Lee, J. W.; Li, S.; Lee, J. Y.; Kim, B. J.Material design and device fabrication strategies for stretchable organic solar cells. Adv. Mater., 2022, 34(31), e2201623.
Luo, Y.; Abidian, M. R.; Ahn, J.-H.; Akinwande, D.; Andrews, A. M.; Antonietti, M.; Bao, Z.; Berggren, M.; Berkey, C. A.; Bettinger, C. J.Technology roadmap for flexible sensors. ACS Nano, 2023, 17(6), 5211–5295.
Shen, Q. C.; Jiang, M. D.; Wang, R. T.; Song, K. X.; Vong, M. H.; Jung, W.; Krisnadi, F.; Kan, R. Y.; Zheng, F. Y.; Fu, B. W.; Tao, P.; Song, C. Y.; Weng, G. M.; Peng, B.; Wang, J.; Shang, W.; Dickey, M. D.; Deng, T.Liquid metal-based soft, hermetic, and wireless-communicable seals for stretchable systems. Science, 2023, 379(6631), 488–493.
Li, H. B.; Ma, Y. J.; Huang, Y. G.Material innovation and mechanics design for substrates and encapsulation of flexible electronics: a review. Mater. Horiz., 2021, 8(2), 383–400.
Sang, M. Y.; Kim, K.; Shin, J.; Yu, K. J.Ultra-thin flexible encapsulating materials for soft bio-integrated electronics. Adv. Sci., 2022, 9(30), e2202980.
Lewis, J. S.; Weaver, M. S.Thin-film permeation-barrier technology for flexible organic light-emitting devices. IEEE J. Sel. Top. Quantum Electron., 2004, 10(1), 45–57.
Lewis, J.Material challenge for flexible organic devices. Mater. Today, 2006, 9(4), 38–45.
Lim, H.; Cho, W. J.; Ha, C. S.; Ando, S.; Kim, Y. K.; Park, C. H.; Lee, K.Flexible organic electroluminescent devices based on fluorine-containing colorless polyimide substrates. Adv. Mater., 2002, 14(18), 1275–1279.
Choi, M. C.; Kim, Y.; Ha, C. S.Polymers for flexible displays: from material selection to device applications. Prog. Polym. Sci., 2008, 33(6), 581–630.
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.
Zhang, Y. H.; Wen, D.; Liu, M. J.; Li, Y.; Lin, Y.; Cao, K.; Yang, F.; Chen, R.Stretchable PDMS encapsulation via SiO2 doping and atomic layer infiltration for flexible displays. Adv. Mater. Interfaces, 2022, 9(5), 2101857.
Cho, A. R.; Kim, E. H.; Park, S. Y.; Park, L. S.Flexible OLED encapsulated with gas barrier film and adhesive gasket. Synth. Met., 2014, 193, 77–80.
Han, Y. C.; Kim, E.; Kim, W.; Im, H. G.; Bae, B. S.; Choi, K. C.A flexible moisture barrier comprised of a SiO2-embedded organic-inorganic hybrid nanocomposite and Al2O3 for thin-film encapsulation of OLEDs. Org. Electron., 2013, 14(6), 1435–1440.
Lu, H. I.; Tran, D. P.; Lin, C. K.; To, B. D.Effects of long-term static bending deformation on a barrier thin film for flexible organic optoelectronic devices. Coatings, 2018, 8(4), 127.
Tran, D. P.; Lin, C. K.; To, B. D.Effects of cyclic deformation on a barrier thin film for flexible organic optoelectronic devices. Thin Solid Films, 2018, 650, 20–31.
Seo, S. W.; Jung, E.; Joon Seo, S.; Chae, H.; Kyoon Chung, H.; Min Cho, S.Toward fully flexible multilayer moisture-barriers for organic light-emitting diodes. J. Appl. Phys., 2013, 114(14), 143505.
Yang, H. I.; Naveen, K. R.; Cho, S. M.; Kim, J. Y.; Jung, Y. H.; Kwon, J. H.Systematic investigation on polymer layer selection for flexible thin film encapsulation. Org. Electron., 2023, 115, 106761.
Shao, Y.; Yan, S.; Li, J.; Silva-Pedraza, Z.; Zhou, T.; Hsieh, M.; Liu, B.; Li, T.; Gu, L.; Zhao, Y. H.; Dong, Y. T.; Yin, B.; Wang, X. D.Stretchable encapsulation materials with high dynamic water resistivity and tissue-matching elasticity. ACS Appl. Mater. Interfaces, 2022, 14(16), 18935–18943.
Connolly, M. L.Analytical molecular surface calculation. J. Appl. Crystallogr., 1983, 16(5), 548–558.
Liu, Y. W.; Tang, A.; Tan, J. H.; Zhao, X. Q.; Chen, C. L.; Wu, D.; Li, Y. H.; He, P.; Zhang, H. L.High-barrier polyimide containing carbazole moiety: synthesis, gas barrier properties, and molecular simulations. Polymers, 2020, 12(9), 2048.
Zeng, Y.; Liu, Y. W.; Tan, J. H.; Huang, J.; Liu, J. J.; Tang, A.; Chen, C. L.; Chen, H.Structure-gas barrier property relationship in a novel polyimide containing naphthalene and amide groups: evaluation by experiments and simulations. Materials, 2021, 14(6), 1402.
Cai, W. B.; Wang, M. Q.; Yang, G. Q.; Zhang, Z. J.; Wang, Y. J.; Li, J. D.Study of the dissolution and diffusion of propane, propylene and nitrogen in polydimethylsiloxane membranes with molecular dynamics simulation and Monte Carlo simulation. Separations, 2022, 9(5), 116.
雷环宇, 田国峰, 肖美凤, 李小兰, 齐胜利, 武德珍. 分子模拟在聚酰亚胺研究中的应用. 高分子学报, 2019, 50(12), 1253–1262.
Lei, H. Y.; Qi, S. L.; Wu, D. Z.Hierarchical multiscale analysis of polyimide films by molecular dynamics simulation: investigation of thermo-mechanical properties. Polymer, 2019, 179, 121645.
Lin, D. L.; Jiang, M.; Qi, S. L.; Wu, D. Z.Macromolecular structural evolution of polyimide chains during large-ratio uniaxial fiber orientation process revealed by molecular dynamics simulation. Chem. Phys. Lett., 2020, 756, 137847.
Tan, J. H.; Chen, Y. F.; Huang, J.; Fei, L. F.; Jiang, L. B.; Wu, D.; Sun, W.; Zhang, H. L.; Liu, Y. W.Effect of monomer moieties on the aggregate structure and gas transport properties of polyimides: Insights from experiments and simulations. J. Appl. Polym. Sci., 2023, 140(30), e54091.
Tsai, M. H.; Huang, S. L.; Chiang, P. C.; Chen, C. J.Morphology, dynamic mechanical properties, and gas separation of crosslinking silica-containing polyimide nanocomposite thin film. J. Appl. Polym. Sci., 2007, 106(5), 3185–3192.
Zhuang, Y. B.; Seong, J.; Do, Y. S.; Lee, W. H.; Lee, M. J.; Guiver, M.; Lee, Y.High-strength, soluble polyimide membranes incorporating Tröger's Base for gas separation. J. Membr. Sci., 2016, 504, 55–65.
Lin, D. L.; Liu, Y. Z.; Jia, Z. Q.; Qi, S. L.; Wu, D. Z.Structural evolution of macromolecular chain during pre-imidization process and its effects on polyimide film properties. J. Phys. Chem. B, 2020, 124(36), 7969–7978.
Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R.Molecular dynamics with coupling to an external bath. J. Chem. Phys., 1984, 81(8), 3684–3690.
Nosé, S.A molecular dynamics method for simulations in the canonical ensemble. Mol. Phys., 1984, 52(2), 255–268.
Nosé, S.A unified formulation of the constant temperature molecular dynamics methods. J. Chem. Phys, 1984, 81(1), 511–519.
Nosé, S.Constant temperature molecular dynamics methods. Prog. Theor. Phys. Suppl., 1991, 103, 1–46.
Min, K.; Rammohan, A. R.; Lee, H. S.; Shin, J.; Lee, S. H.; Goyal, S.; Park, H.; Mauro, J. C.; Stewart, R.; Botu, V.; Kim, H.; Cho, E.Computational approaches for investigating interfacial adhesion phenomena of polyimide on silica glass. Sci. Rep., 2017, 7(1), 10475.
Zhou, H.; Lei, H. Y.; Wang, J. H.; Qi, S. L.; Tian, G. F.; Wu, D. Z.Breaking the mutual restraint between low permittivity and low thermal expansion in polyimide films via a branched crosslink structure. Polymer, 2019, 162, 116–120.
Lian, M.; Lu, X. M.; Lu, Q. H.Synthesis of superheat-resistant polyimides with high Tg and low coefficient of thermal expansion by introduction of strong intermolecular interaction. Macromolecules, 2018, 51(24), 10127–10135.
Lee, C.; Seo, J.; Shul, Y.; Han, H.Optical properties of polyimide thin films. effect of chemical structure and morphology. Polym. J., 2003, 35(7), 578–585.
Souza, I.; Martins, J.Metric tensor as the dynamical variable for variable-cell-shape molecular dynamics. Phys. Rev. B, 1997, 55(14), 8733–8742.
Akkermans, R. L. C.; Spenley, N. A.; Robertson, S. H.Compass III: automated fitting workflows and extension to ionic liquids. Mol. Simul., 2021, 47(7), 540–551.
Hockney, R. W.; Eastwood, J. W.Computer Simulation Using Particles. CRC Press, 1988.
Shokuhfar, A.; Arab, B.The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation. J. Mol. Model., 2013, 19(9), 3719–3731.
Chaudhary, N.; Dikshit, M. K.Study of the cross-linking density effect on the mechanical properties of h-BNNS reinforced epoxy nanocomposite part-1: a molecular dynamics simulation. J. Mol. Model., 2023, 29(5), 146.
Wang, Y. J.; Yang, Y. Y.; Tao, M. J.Understanding free volume characteristics of ethylene-propylene-diene monomer (EPDM) through molecular dynamics simulations. Materials, 2019, 12(4), 612.
Liu, Y. W.; Huang, J.; Tan, J. H.; Zeng, Y.; Liu, J. J.; Zhang, H. L.; Pei, Y.; Xiang, X. W.; Liu, Y. J.Intrinsic high-barrier polyimide with low free volume derived from a novel diamine monomer containing rigid planar moiety. Polymer, 2017, 114, 289–297.
Allegra, G.; Ganis, P.; Corradini, P.A calculation of the unperturbed mean-square end-to-end distance of isotactic and syndiotactic vinylic polymer chains in solution. Makromol. Chem., 1963, 61(1), 225–241.
李晓毅, 唐兵, 吴大诚, 赵得禄. 近壁模型高分子链的计算机模拟. 高分子学报, 2001(3), 378–382.
Zhou, Z. P.; Yan, D. Y.Improved expression of mean-square radius of gyration. I. Vinyl polymers. J. Chem. Phys., 1992, 96(6), 4792–4800.
Park, H. B.; Kim, Y. K.; Lee, J. M.; Lee, S. Y.; Lee, Y. M.Relationship between chemical structure of aromatic polyimides and gas permeation properties of their carbon molecular sieve membranes. J. Membr. Sci., 2004, 229(1-2), 117–127.
Zhou, H. Y.; Wilkes, G. L.Orientation-dependent mechanical properties and deformation morphologies for uniaxially melt-extruded high-density polyethylene films having an initial stacked lamellar texture. J. Mater. Sci., 1998, 33(2), 287–303.
杨俊升, 朱子亮, 曹启龙. 预取向半晶态高分子片晶结构形成微观机理及其应力-应变响应特性的分子动力学模拟. 物理学报, 2020, 69(3), 280–287.
Bai, H. W.; Huang, C. M.; Xiu, H.; Zhang, Q.; Deng, H.; Wang, K.; Chen, F.; Fu, Q.Significantly improving oxygen barrier properties of polylactide via constructing parallel-aligned shish-kebab-like crystals with well-interlocked boundaries. Biomacromolecules, 2014, 15(4), 1507–1514.
Wu, S. S.; Liang, J. C.; Shi, Y. P.; Huang, M. H.; Bi, X. Y.; Wang, Z. G.; Jin, J.Design of interchain hydrogen bond in polyimide membrane for improved gas selectivity and membrane stability. J. Membr. Sci., 2021, 618, 118659.
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