振荡场作用下聚合物/纳米棒混合体系的自组装

王康颖; 马才媛; 蔚慧敏; 张海涛; 岑建勇; 王英英; 潘俊星; 张进军

doi:10.7498/aps.72.20222207

摘要

采用元胞动力学和布朗动力学联用方法研究了振荡场作用下两嵌段共聚物/均聚物/纳米棒混合体系的自组装相行为. 通过计算模拟, 探讨了振荡场的振幅和频率对混合体系相形貌形成和演化的影响. 研究发现振荡场对体系有序结构的形成和转变有重要作用, 随着外加振荡场频率的增大, 混合体系形貌从平行于场方向的条纹结构过渡到斜层状结构再转变为垂直于场方向的条纹结构. 进一步分析了振荡场作用下体系畴尺寸的演化及纳米棒取向角的变化情况. 研究结果为制备和调控聚合物纳米复合材料有序结构提供了新的方法和参考.

关键词:

振荡场 /
聚合物 /
纳米棒 /
自组装

Abstract

The self-assembly behavior of diblock copolymer/homopolymer/nanorods hybrid system under oscillation field is performed by using Cell Dynamics Scheme (CDS) and Brownian Dynamics (BD). The effects of the amplitude and frequency of the oscillation field on the formation and evolution of the mixture morphology are investigated systematically. It is found that the oscillation field plays an important role in the formation and transformation of the ordered structure. With the frequency increasing, the orientation of the lamellar structure transforms from parallel to the field direction to random angle and then to perpendicular to the field direction. Compared with the pure rod system, the addition of polymers has a combing effect. Under high amplitude and low frequency ($ {\rm{\omega }}\leqslant 0.01 $) of the oscillation field, the arrangement of nanorods transforms from vertical to horizontal. However, under high amplitude and high frequency ($ \omega > 0.01 $), the nanorods change from vertical/horizontal hybrid arrangement to vertical arrangement. The evolution of domain size and orientation angle of nanorods under oscillation field are further analysed. The results provide a new method and reference for fabricating and regulating the ordered structure of polymer nanocomposites.

Keywords:

作者及机构信息

山西师范大学物理与信息工程学院, 太原　030031

通信作者: 潘俊星, panjx@sxnu.edu.cn ; 张进军, zhangjinjun@sxnu.edu.cn

基金项目: 山西省应用基础研究计划(批准号: 20210302123245, 20210302123337)、山西省研究生教育创新项目(批准号: 2021Y489)和国家级大学生创新创业项目(批准号: 20220297)资助的课题.

Authors and contacts

School of Physics and Information Engineering, Shanxi Normal University, Taiyuan 030031, China

Corresponding author: Pan Jun-Xing, panjx@sxnu.edu.cn ; Zhang Jin-Jun, zhangjinjun@sxnu.edu.cn

Funds: Projects supported by the Applied Basic Research Plan of Shanxi Province, China (Grant Nos. 2021030212345, 20210302123337), the Graduate Education Innovation Program of Shanxi Province, China (Grant No. 2021Y489), and the National Undergraduate Innovation and Entrepreneurship Program (Grant No.20220297).

文章全文 : translate this paragraph

参考文献

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[47]	Hong K M, Noolandi J 1983 Macromolecules 16 1083 Google Scholar
[48]	Morozov A N, Fraaije J G E M 2002 Phys. Rev. E 65 031803 Google Scholar
[49]	Zvelindovsky A V, Sevink G J A, Fraaije J G E M 2000 Phys. Rev. E 62 R3063 Google Scholar
[50]	Koizumi S, Hasegawa H, Hashimoto T 1994 Macromolecules 27 6532 Google Scholar
[51]	Ginzburg V V, Qiu F, Paniconi M, Peng G, Jasnow D, Balazs A C 1999 Phys. Rev. Lett. 82 4026 Google Scholar
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[53]	Buxton G A, Balazs A C 2004 Mol. Simulat. 30 249 Google Scholar
[54]	Balazs A C, Ginzburg V V, Qiu F, Peng G, Jasnow D 2000 J. Phys. Chem. B 104 3411 Google Scholar
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施引文献

图 1 在$ t=5\times {10}^{6} $时, 随着振荡场频率改变, AB/C/ NRs混合体系自组装形貌图　(a)斜层状纳米线结构$(\gamma = $$ 0, \omega =0$); (b)平行结构($ \gamma =0.05, \omega =0.0005) $; (c)过渡结构($ \gamma =0.05, \omega =0.005 $); (d) (e)斜层结构($\gamma =0.05, $$ \omega =0.01$); (f)垂直结构($\gamma = $$ 0.05, \omega =0.05$). 其中, $ \gamma $代表振荡场的振幅, $ \omega $代表振荡场的频率. 红色代表A嵌段, 蓝色代表B嵌段, 黄色代表C单体, 黑色代表纳米棒

Fig. 1. The self-assembly topography of AB/C/NRs hybrid system at $ {\rm{t}}=5\times {10}^{6} $ as the frequency of the oscillating field changes: (a) Slanted layered nanowire structure ($\gamma $$ =0, \omega =0$); (b) parallel structure ($ \gamma =0.05, \omega =0.0005 $); (c) transition structure ($\gamma = $$ 0.05, \omega =0.005$); (d) (e) inclined layer structure ($ \gamma =0.05, \omega =0.01 $); (f) vertical structure ($ \gamma =0.05, \omega =0.05 $). Where, $ \gamma $ represents the amplitude of the oscillation field and $ \omega $ represents the frequency of the oscillation field. Red represents block A, blue represents block B, yellow represents monomer C, and black represents nanorods.

下载: 全尺寸图片幻灯片

图 2 振荡场作用下, AB/C/NRs混合体系相结构形貌图随振幅和频率变化的二维相图, 其中, 红色方块代表斜层结构, 蓝色圆圈代表平行结构, 绿色三角代表垂直结构, 紫色菱形代表过渡结构

Fig. 2. Two-dimensional phase diagram of phase structure morphology of AB/C/NRs hybrid system with amplitude and frequency variation under oscillating field, where red square represents oblique layer structure, blue circle represents parallel structure, green triangle represents vertical structure, and purple diamond represents transition structure.

下载: 全尺寸图片幻灯片

图 3 在不同频率下, 均聚物C发生畴生长尺寸随时间演化的双对数图　(a)沿x轴方向的畴尺寸图$ {R}_{x}\left(t\right) $; (b)沿y轴方向的畴尺寸图$ {R}_{y}\left(t\right) $. 其中, 黑色线: 平行结构($\omega $$ =0.0005$), 红色线: 过渡结构($ \omega =0.005 $); 蓝色线: 斜层结构($ \omega =0.01 $); 绿色线: 垂直结构($ \omega =0.05 $). $ \omega $代表振荡场的频率

Fig. 3. Double logarithmic graph of domain growth size vs. time evolution of homopolymer C at different frequencies. (a) Domain size map $ {R}_{x}\left(t\right) $ along the x-axis; (b) domain size $ {R}_{y}\left(t\right) $ along the y-axis. Among them, the black line: parallel structure ($\omega = $$ 0.0005$), the red line: transition structure ($ \omega =0.005 $); blue line: oblique layer structure ($\omega = $$ 0.01$); green line: vertical structure ($\omega = $$ 0.05$). Omega represents the frequency of the oscillating field.

下载: 全尺寸图片幻灯片

图 4 在不同振荡场强度下, 纳米棒取向角平均值随时间的变化图. 其中, 黑色线: 平行结构($\omega = 0.0005$), 红色线: 过渡结构($\omega = $$ 0.005$); 蓝色线: 斜层结构($ \omega =0.01 $); 绿色线: 垂直结构($ \omega =0.05 $). $ \omega $代表振荡场的频率

Fig. 4. Variation of the mean orientation Angle of nanorods with time under different oscillating field intensities. Among them, the black line: parallel structure ($ \omega =0.0005 $), the red line: transition structure ($ \omega =0.005 $); blue line: oblique layer structure ($\omega = $$ 0.01$); green line: vertical structure ($ \omega =0.05 $). Omega represents the frequency of the oscillating field.

下载: 全尺寸图片幻灯片

图 5 振荡场作用下, AB/C/NRs混合体系畴结构随时间演化的形貌图　(a) $t=10000$; (b)$ t=20000 $; (c)$t= $$ 100000$; (d)$t= $$ 1000000$; (e)$ t=2000000 $; (f)$ t=5000000 $. 其中, $L=11, {N}{L}=123, $$ \gamma =0.05, \omega =0.0005$

Fig. 5. Morphology diagram of domain structure evolution of AB/C/NRs hybrid system with time under oscillating field: (a)$t= $$ 10000$; (b)$ t=20000 $; (c)$ t=100000 $; (d)$ t=1000000 $; (e)$ t=2000000 $; (f) $ t=5000000 $. Among them, $ L=11 $, ${N}{L}=123 $, $ \gamma =0.05 $, $ \omega =0.0005 $.

下载: 全尺寸图片幻灯片

map

[1]	Seul M, Andelman D 1995 Science 267 476 Google Scholar
[2]	Tanaka H 1993 Phys. Rev. Lett. 70 2770 Google Scholar
[3]	Marencic A P, Adamson D H, Chaikin P M, Register R A 2010 Phys. Rev. E 81 011503 Google Scholar
[4]	Wu S 2009 Phys. Rev. E 79 031803 Google Scholar
[5]	Croll A B, Shi A C, Dalnoki-Veress K 2009 Phys. Rev. E 80 051803 Google Scholar
[6]	Hosoi A E, Kogan D, Devereaux C E, Bernoff A J, Baker S M 2005 Phys. Rev. Lett. 95 037801 Google Scholar
[7]	Lopes W A 2002 Phys. Rev. E 65 031606 Google Scholar
[8]	Leibler L 1980 Macromolecules 13 1602 Google Scholar
[9]	Kletenik-Edelman O, Ploshnik E, Salant A, Shenhar R, Banin U, Rabani E 2008 Phys. Chem. C 112 4498 Google Scholar
[10]	Keblinski P, Kumar S K, Maritan A, Koplik J, Banavar J R 1996 Phys. Rev. Lett. 76 1106 Google Scholar
[11]	Harrison C, Adamson D H, Cheng Z, Sebastian J M, Sethuraman S, Huse D A, Chaikin P M 2000 Science 290 1558 Google Scholar
[12]	Matsuyama A, Evans R M L, Cates M E 2000 Phys. Rev. E 61 2977 Google Scholar
[13]	Yamaguchi D, Hashimoto T 2001 Macromolecules 34 6495 Google Scholar
[14]	Angelescu D E, Waller J H, Register R A, Chaikin P M 2005 Adv. Mater 17 1878 Google Scholar
[15]	Komura S, Kodama H 1997 Phys. Rev. E 55 1722 Google Scholar
[16]	Roan J R, Shakhnovich E I 1999 Phys. Rev. E 59 2109 Google Scholar
[17]	Ginzburg V V 2005 Macromolecules 38 2362 Google Scholar
[18]	He G, Ginzburg V V, Balazs A C 2006 J. Polym. Sci. B 44 2389 Google Scholar
[19]	Lee J Y, Thompson R B, Jasnow D, Balazs A C 2002 Macromolecules 35 4855 Google Scholar
[20]	Osipov M A, Gorkunov M V 2016 Eur. Phys. J. E. 39 1 Google Scholar
[21]	Osipov M A, Gorkunov M V, Kudryavtsev, Y V 2017 Mol. Cryst. Liq. Cryst. 647 405 Google Scholar
[22]	Osipov M A, Gorkunov M V, Berezkin A V, Kudryavtsev Y V 2018 Phys. Rev. E 97 042706 Google Scholar
[23]	Diaz J, Pinna M, Zvelindovsky A, Pagonabarraga I 2019 Soft Matter 15 6400 Google Scholar
[24]	Diaz J, Pinna M, Zvelindovsky A V, Pagonabarraga I 2019 Macromolecules 52 8285 Google Scholar
[25]	Diaz J, Pinna M, Zvelindovsky A V, Pagonabarraga I, Shenhar R 2020 Macromolecules 53 3234 Google Scholar
[26]	Ye X, Shi T, Lu Z, Zhang C, Sun Z, An L 2005 Macromolecules 38 8853 Google Scholar
[27]	Ma J W, Li X, Tang P, Yang Y 2007 J. Phys. Chem. B 111 1552 Google Scholar
[28]	Guo Y Q, Pan J X, Sun M N, Zhang J J 2017 J. Chem. Phys. 146 024902 Google Scholar
[29]	Guo Y Q 2021 Chin. Phys. B 30 048301 Google Scholar
[30]	Sun M, Zhang J J, Wang B, Wu H S, Pan J 2011 Phys. Rev. E 84 011802 Google Scholar
[31]	Sun M N, Zhang J J, Pan J X, Wang B F, Wu, H S 2016 Nano 11 1650008 Google Scholar
[32]	Pan J X, Zhang J J, Wang B F, Wu H S, Sun M N 2013 Chin. Phys. B 22 026401 Google Scholar
[33]	Thorkelsson K, Mastroianni A J, Ercius P, Xu T 2012 Aps. March Meeting 12 498 Google Scholar
[34]	Thorkelsson K, Nelson J H, Alivisatos A P, Xu T 2013 ACS 13 4908 Google Scholar
[35]	Thorkelsson K, Bronstein N, Xu T 2016 Macromolecules 49 6669 Google Scholar
[36]	Ma Y Q 2000 Phys. Rev. E 62 8207 Google Scholar
[37]	Zhu Y J, Ma Y Q 2003 Phys. Rev. E 67 041503 Google Scholar
[38]	Olszowka V, Hund M, Kuntermann V, Scherdel S, Tsarkova L, Bker A, Krausch G 2006 Soft Matter 2 1089 Google Scholar
[39]	Wang Q, Nealey P F, de Pablo J J 2003 Macromolecules 36 1731 Google Scholar
[40]	Ginzburg V V, Gibbons C, Qiu F, Peng G, Balazs A C 2000 Macromolecules 33 6140 Google Scholar
[41]	Choi S H, Lodge T P, Bates F S 2010 Phys. Rev. Lett. 104 047802 Google Scholar
[42]	Huang F, Addas K, Ward A, Flynn N T, Velasco E, Hagan M F, Fraden S 2009 Phys. Rev. Lett. 102 108302 Google Scholar
[43]	Chen Z R, Kornfield J A, Smith S D, Grothaus J T, Satkowski M M 1997 Science 277 1248 Google Scholar
[44]	Mullin T 2000 Phys. Rev. Lett. 84 4741 Google Scholar
[45]	Wu M W, Register R A, Chaikin P M 2006 Phys. Rev. E 74 040801 Google Scholar
[46]	Morozov A N, van Saarloos W 2005 Phys. Rev. Lett. 95 024501 Google Scholar
[47]	Hong K M, Noolandi J 1983 Macromolecules 16 1083 Google Scholar
[48]	Morozov A N, Fraaije J G E M 2002 Phys. Rev. E 65 031803 Google Scholar
[49]	Zvelindovsky A V, Sevink G J A, Fraaije J G E M 2000 Phys. Rev. E 62 R3063 Google Scholar
[50]	Koizumi S, Hasegawa H, Hashimoto T 1994 Macromolecules 27 6532 Google Scholar
[51]	Ginzburg V V, Qiu F, Paniconi M, Peng G, Jasnow D, Balazs A C 1999 Phys. Rev. Lett. 82 4026 Google Scholar
[52]	Qiu F, Ginzburg V V, Paniconi M, Peng G, Jasnow D, Balazs A C 1999 Langmuir 15 4952 Google Scholar
[53]	Buxton G A, Balazs A C 2004 Mol. Simulat. 30 249 Google Scholar
[54]	Balazs A C, Ginzburg V V, Qiu F, Peng G, Jasnow D 2000 J. Phys. Chem. B 104 3411 Google Scholar
[55]	Ginzburg V V, Peng G, Qiu F, Jasnow D, Balazs, A C 1999 Phys. Rev. E 60 4352 Google Scholar
[56]	Zhang J J, Jin G, Ma Y 2005 Phys. Rev. E 71 051803 Google Scholar
[57]	Zhang J J, Jin G, Ma Y 2005 Eur. Phys. J. E 18 359 Google Scholar
[58]	Ito A 1998 Phys. Rev. E 58 6158 Google Scholar
[59]	Liu B, Tong C, Yang Y 2001 J. Phys. Chem. B 105 10091 Google Scholar
[60]	Tong C, Yang Y 2002 J. Chem. Phys. 116 1519 Google Scholar
[61]	Oono Y, Bahiana M 1988 Phys. Rev. Lett. 61 1109 Google Scholar
[62]	Bates F S, Fredrickson G H 1990 Annu. Rev. Phys. Chem. 41 525 Google Scholar
[63]	Chakrabarti A, Gunton J D 1993 Phys. Rev. E 47 R792 Google Scholar
[64]	Schmittmann B, Zia R K P 1998 Phys. Rep. 301 45 Google Scholar
[65]	Schmittmann B 1990 Phys. B 4 2269 Google Scholar
[66]	Oono Y, Puri S 1987 Phys. Rev. Lett. 58 836 Google Scholar
[67]	Oono Y, Puri S 1988 Phys. Rev. A 38 434 Google Scholar
[68]	Puri S, Oono Y 1988 Phys. Rev. A 38 1542 Google Scholar
[69]	Shinozaki A, Oono Y 1992 Phys. Rev. A 45 R2161 Google Scholar
[70]	Geng X B, Pan J X, Zhang J J, Sun M N, Cen J Y 2018 Chin. Phys. B 27 058102 Google Scholar
[71]	Shinozaki A, Oono Y 1993 Phys. Rev. E 48 2622 Google Scholar

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振荡场作用下聚合物/纳米棒混合体系的自组装