非对称双嵌段共聚物薄膜在平板受限和溶剂蒸发下自组装行为的分子模拟研究

郝金龙; 汪湛; 王铮; 尹玉华; 蒋润; 李宝会

doi:10.11777/j.issn1000-3304.2017.17031

您当前的位置：

首页 >

文章列表页 >

非对称双嵌段共聚物薄膜在平板受限和溶剂蒸发下自组装行为的分子模拟研究

研究论文 | 更新时间：2021-01-26

- 非对称双嵌段共聚物薄膜在平板受限和溶剂蒸发下自组装行为的分子模拟研究
- Simulation of Asymmetric Diblock Copolymer Films Confined between Two Flat Walls and Upon Solvent Evaporation
- 高分子学报 2017年第11期页码：1841-1850
- 作者机构：
  
  南开大学物理科学学院天津 300071
- 作者简介：
  
  李宝会, E-mail: baohui@nankai.edu.cn Bao-hui Li, E-mail: baohui@nankai.edu.cn
- 基金信息：
  
  国家自然科学基金(21574071);国家自然科学基金(21528401);国家自然科学基金(20925414);国家自然科学基金(91227121);教育部创新团队发展计划(IRT1257);高等学校学科创新引智计划(B16027)
- DOI：10.11777/j.issn1000-3304.2017.17031
  中图分类号：
- 纸质出版日期：2017-11-20，
  
  收稿日期：2017-2-27，
  
  修回日期：2017-3-27，
扫描看全文
郝金龙, 汪湛, 王铮, 尹玉华, 蒋润, 李宝会. 非对称双嵌段共聚物薄膜在平板受限和溶剂蒸发下自组装行为的分子模拟研究[J]. 高分子学报, 2017,(11):1841-1850.

Jin-long Hao, Zhan Wang, Zheng Wang, Yu-hua Yin, Run Jiang, Bao-hui Li. Simulation of Asymmetric Diblock Copolymer Films Confined between Two Flat Walls and Upon Solvent Evaporation[J]. Acta Polymerica Sinica, 2017,(11):1841-1850.
郝金龙, 汪湛, 王铮, 尹玉华, 蒋润, 李宝会. 非对称双嵌段共聚物薄膜在平板受限和溶剂蒸发下自组装行为的分子模拟研究[J]. 高分子学报, 2017,(11):1841-1850. DOI： 10.11777/j.issn1000-3304.2017.17031.

Jin-long Hao, Zhan Wang, Zheng Wang, Yu-hua Yin, Run Jiang, Bao-hui Li. Simulation of Asymmetric Diblock Copolymer Films Confined between Two Flat Walls and Upon Solvent Evaporation[J]. Acta Polymerica Sinica, 2017,(11):1841-1850. DOI： 10.11777/j.issn1000-3304.2017.17031.

摘要

采用模拟退火和Monte Carlo方法研究体相形成柱状相的双嵌段共聚物薄膜在平板受限和溶剂蒸发条件下的自组装，特别关注柱状相形貌的取向.对于平板受限下的薄膜，研究了表面选择性、溶剂选择性和膨胀程度对柱状相取向的影响.对于溶剂蒸发的薄膜，研究了表面选择性和薄膜厚度对柱状相取向的影响，并讨论了柱状相取向的机理.结果表明，薄膜内存在中性溶剂时形成垂直柱形貌的表面选择性范围较小；存在亲长嵌段的溶剂时形成垂直柱形貌的表面选择性范围较大.溶剂蒸发后薄膜生成垂直柱形貌的参数范围较热退火下增大；柱状相取向取决于蒸发过程中体系由球状相演化为柱状相时的薄膜厚度与体相周期的匹配性.

Abstract

Solvent evaporation has proven to be a remarkably successful tool for directing the self-assembled nanostructures of block copolymers

yet the mechanisms of how its control parameters affect the nanostructure and its principles governing the structural formation remain poorly understood. In this paper

the simulated annealing and Monte Carlo method are used to study the self-assembly of cylinder-forming diblock copolymer films confined between two flat walls and under solvent evaporation on a simple cubic lattice model. Specific attention is paid to the orientation control of cylinders in the films. For films confined between two identical homogeneous flat walls

the effects of surface preference

solvent selectivity and swelling ratio on the cylinder orientation are investigated. The surface preference window for the formation of perpendicular cylinders is wider with a solvent of stronger affinity for the majority block

especially when the swelling ratio is higher. Whereas a neutral solvent leads to the formation of perforated lamellae

making the surface preference window for the formation of perpendicular cylinders narrower. For films under solvent evaporation

the effects of surface preference and film thickness on the resulting morphology of films are also studied. The maximum surface preference that leads to the formation of perpendicular cylinders varies with film thickness cyclically. The surface preference window for the formation of perpendicular cylinders after solvent evaporation is wider than that after thermal annealing

indicating that perpendicular orientation is promoted by the solvent evaporation. To unravel the mechanism of perpendicular cylinders forming

film morphology at different stages during solvent evaporation is plotted and compared to those of the films swollen to the corresponding thicknesses. It is noted that cylinder orientation after solvent evaporation is the same as that in a swollen film with a swelling ratio at which the spheres in the film begin to merge into cylinders. The surface preference window for the formation of perpendicular cylinders in this swollen case is determined by the commensurability between the film thickness and the bulk period.

关键词

双嵌段共聚物薄膜平板受限溶剂蒸发柱状相取向

Keywords

Diblock copolymer filmsOne-dimensional confinementSolvent evaporationCylinder orientation

references

S H Kim , M J Misner , T Xu , M Kimura , T P Russell . Adv Mater , 2004 . 16 226 - 231 . DOI:10.1002/(ISSN)1521-4095http://doi.org/10.1002/(ISSN)1521-4095.

J N L Albert , W-S Young , R L Ⅲ Lewis , T D Bogart , J R Smith , T H Ⅲ Epps . ACS Nano , 2012 . 6 459 - 446 . DOI:10.1021/nn203776chttp://doi.org/10.1021/nn203776c.

R Glass , M Möller , J P Spatz . Nanotechnology , 2003 . 14 1153 - 1160 . DOI:10.1088/0957-4484/14/10/314http://doi.org/10.1088/0957-4484/14/10/314.

S J Jeong , J Y Kim , B H Kim , H S Moon , S O Kim . Mater Today , 2013 . 16 468 - 476 . DOI:10.1016/j.mattod.2013.11.002http://doi.org/10.1016/j.mattod.2013.11.002.

W A Philip , B O'Neil , M Rodwogin , M A Hillmyer , E L Cussler . ACS Appl Mater Interfaces , 2010 . 2 847 - 853 . DOI:10.1021/am900882thttp://doi.org/10.1021/am900882t.

T Thurn-Albrecht , R Steiner , J DeRouchey , C M Stafford , E Huang , M Bal , M Tuominen , C J Hawker , T P Russell . Adv Mater , 2000 . 12 787 - 791 . DOI:10.1002/(ISSN)1521-4095http://doi.org/10.1002/(ISSN)1521-4095.

S Y Yang , I Ryu , H Y Kim , J K Kim , S K Jang , T P Russell . Adv Mater , 2006 . 18 709 - 712 . DOI:10.1002/(ISSN)1521-4095http://doi.org/10.1002/(ISSN)1521-4095.

S E Querelle , E A Jackson , E L Cussler , M A Hillmyer . ACS Appl Mater Interfaces , 2013 . 5 5044 - 5050 . DOI:10.1021/am400847mhttp://doi.org/10.1021/am400847m.

B Yu , B Li , Q Jin , D Ding , A C Shi . Soft Matter , 2011 . 7 10227 - 10240 . DOI:10.1039/c1sm05947ehttp://doi.org/10.1039/c1sm05947e.

B Nandan , M K Vyas , M Böhme , M Stamm . Macromolecules , 2010 . 43 2463 - 2473 . DOI:10.1021/ma901693chttp://doi.org/10.1021/ma901693c.

E B Gowd , M Böhme , M Stamm . Synchrotron Radiat Polym Sci , 2010 . 14 ( 1-6 ): 012015 http://d.wanfangdata.com.cn/Periodical/jsjxb201411015.

A Knoll , A Horvat , K S Lyakhova , G Krausch , G J A Sevink , A V Zvelindovsky , R Magerle . Phys Rev Lett , 2002 . 89 ( 1-4 ): 035501 http://d.wanfangdata.com.cn/Periodical/jsjxb201411015.

Y H Wu , T Y Lo , M S She , R M Ho . ACS Appl Mater Interfaces , 2015 . 7 16536 - 16547 . DOI:10.1021/acsami.5b03977http://doi.org/10.1021/acsami.5b03977.

M Vayer , M A Hillmyer , M Dirany , G Thevenin , R Erre , C Sinturel . Thin Solid Films , 2010 . 518 3710 - 3715 . DOI:10.1016/j.tsf.2009.10.015http://doi.org/10.1016/j.tsf.2009.10.015.

J Peng , Y Han , W Knoll , D H Kim . Macromol Rapid Commun , 2007 . 28 1422 - 1428 . DOI:10.1002/(ISSN)1521-3927http://doi.org/10.1002/(ISSN)1521-3927.

J N L Albert , T D Bogart , R L Lewis , K L Beers , M J Fasolka , J B Hutchison , B D Vogt , T H Ⅲ Epps . Nano Lett , 2011 . 11 1351 - 1357 . DOI:10.1021/nl104496rhttp://doi.org/10.1021/nl104496r.

R M Ho , W H Tseng , H W Fan , Y W Chiang , C C Lin , B T Ko , B H Huang . Polymer , 2005 . 46 9362 - 9377 . DOI:10.1016/j.polymer.2005.07.069http://doi.org/10.1016/j.polymer.2005.07.069.

G Kim , M Libera . Macromolecules , 1998 . 31 2569 - 2577 . DOI:10.1021/ma971349ihttp://doi.org/10.1021/ma971349i.

K Fukunaga , H Elbs , R Magerle , G Krausch . Macromolecules , 2000 . 33 947 - 953 . DOI:10.1021/ma9910639http://doi.org/10.1021/ma9910639.

J G Son , K W Gotrik , C A Ross . ACS Macro Lett , 2012 . 1 1279 - 1284 . DOI:10.1021/mz300475ghttp://doi.org/10.1021/mz300475g.

Y S Jung , C A Ross . Adv Mater , 2009 . 21 2540 - 2545 . DOI:10.1002/adma.v21:24http://doi.org/10.1002/adma.v21:24.

S Park , B Kim , J Xu ,T Hofmann , B M Ocko , T P Russell . Macromolecules , 2009 . 42 1278 - 1284 . DOI:10.1021/ma802480shttp://doi.org/10.1021/ma802480s.

T H Kim , J Hwang , W S Hwang , J Huh , H C Kim , S H Kim , J M Hong , E L Thomas , C Park . Adv Mater , 2008 . 20 522 - 527 . DOI:10.1002/(ISSN)1521-4095http://doi.org/10.1002/(ISSN)1521-4095.

S Park , J-Y Wang , B Kim , W Chen , T P Russell . Macromolecules , 2007 . 40 9059 - 9063 . DOI:10.1021/ma071321zhttp://doi.org/10.1021/ma071321z.

G Cui , M Fujikawa , S Nagano , K Shimokita , T Miyazaki , S Sakurai , K Yamamoto . Macromolecules , 2014 . 47 5989 - 5999 . DOI:10.1021/ma501033ahttp://doi.org/10.1021/ma501033a.

H Ogawa , M Takenaka , T Miyazaki , A Fujiwara , B Lee , K Shimokita , E Nishibori , M Takara . Marcomolecules , 2016 . 49 3471 - 3477 . DOI:10.1021/acs.macromol.6b00049http://doi.org/10.1021/acs.macromol.6b00049.

J W Jeong , W I Park , M J Kim , C A Ross , Y S Jung . Nano Lett , 2011 . 11 4095 - 4101 . DOI:10.1021/nl2016224http://doi.org/10.1021/nl2016224.

K A Cavicchi , T P Russell . Macromolecules , 2007 . 40 1181 - 1186 . DOI:10.1021/ma061163whttp://doi.org/10.1021/ma061163w.

Y Yang , F Qiu , H Zhang , Y Yang . Polymer , 2006 . 47 2205 - 2216 . DOI:10.1016/j.polymer.2006.01.047http://doi.org/10.1016/j.polymer.2006.01.047.

W Li , M Liu , F Qiu . J Phys Chem B , 2013 . 117 5280 - 5288 . http://d.wanfangdata.com.cn/Periodical/jsjxb201411015.

A Horvat , K S Lyakhova , G J A Sevink , A V Zvelindovsky , R Magerle . J Chem Phys , 2004 . 120 1117 - 1126 . DOI:10.1063/1.1627325http://doi.org/10.1063/1.1627325.

H P Huinink , M A van Dijk , J C M Brokken-Zijp , G J A Sevink . Macromolecules , 2001 . 34 5325 - 5330 . DOI:10.1021/ma000015hhttp://doi.org/10.1021/ma000015h.

Q Wang , P F Nealey , J J de Pablo . Marcomolecules , 2001 . 34 3458 - 3470 . DOI:10.1021/ma0018751http://doi.org/10.1021/ma0018751.

H P Huinink , J C M Brokken-Zijp , M A van Dijk , G J A Sevink . J Chem Phys , 2000 . 112 2452 - 2462 . DOI:10.1063/1.480811http://doi.org/10.1063/1.480811.

Q Wang , Q Yan , P F Nealey , J J de Pablo . J Chem Phys , 2000 . 112 450 - 464 . DOI:10.1063/1.480639http://doi.org/10.1063/1.480639.

Y Yin , P Sun , R Jiang , B Li , T Chen , Q Jin , D Ding , A C Shi . J Chem Phys , 2006 . 124 184708 DOI:10.1063/1.2194537http://doi.org/10.1063/1.2194537.

W A Phillip , M A Hillmyer , E L Cussler . Macromolecules , 2010 . 43 7763 - 7770 . DOI:10.1021/ma1012946http://doi.org/10.1021/ma1012946.

S P Paradiso , K T Delaney , C J García-Cervera , H D Ceniceros , G H Fredrickson . ACS Macro Lett , 2014 . 3 16 - 20 . DOI:10.1021/mz400572rhttp://doi.org/10.1021/mz400572r.

A V Berezkin , C M Papadakis , I I Potemkin . Macromolecules , 2016 . 49 415 - 424 . DOI:10.1021/acs.macromol.5b01771http://doi.org/10.1021/acs.macromol.5b01771.

S P Paradiso , K T Delaney , C J Carcía-Cervera , H D Ceniceros , G H Fredrickson . Macromolecules , 2016 . 49 1743 - 1751 . DOI:10.1021/acs.macromol.5b02107http://doi.org/10.1021/acs.macromol.5b02107.

J Hao , Z Wang , Z Wang , Y Yin , R Jiang , B Li , Q Wang . Macromolecules , 2017 . 50 4384 - 4396 . DOI:10.1021/acs.macromol.7b00200http://doi.org/10.1021/acs.macromol.7b00200.

I Carmesin , K Kremer . Macromolecules , 1988 . 21 2819 - 2823 . DOI:10.1021/ma00187a030http://doi.org/10.1021/ma00187a030.

R G Larson . J Chem Phys , 1992 . 96 7904 - 7918 . http://d.wanfangdata.com.cn/Periodical/jsjxb201411015.

P Sun , Y Yin , B Li , T Chen , Q Jin , D Ding , A C Shi . J Chem Phys , 2005 . 122 ( 1-8 ): 204905 http://d.wanfangdata.com.cn/Periodical/jsjxb201411015.

B Yu , Q Jin , D Ding , B Li , A C Shi . Macromolecules , 2008 . 41 4042 - 4054 . DOI:10.1021/ma702430vhttp://doi.org/10.1021/ma702430v.

N Metropolis , A W Rosenbluth , M N Rosenbluth , A H Teller , E Teller . J Chem Phys , 1953 . 21 1087 - 1092 . DOI:10.1063/1.1699114http://doi.org/10.1063/1.1699114.

S Kirkpatrick , C D Gelatt , M P Jr Vecchi . Science , 1983 . 220 671 - 680 . DOI:10.1126/science.220.4598.671http://doi.org/10.1126/science.220.4598.671.

G S Grest , C M Soukoulis , K Levin . Phys Rev Lett , 1986 . 56 1148 - 1151 . DOI:10.1103/PhysRevLett.56.1148http://doi.org/10.1103/PhysRevLett.56.1148.

A Chakrabarti , R Toral . Phys Rev B:Condens Matter Mater Phys , 1989 . 39 542 - 545 . DOI:10.1103/PhysRevB.39.542http://doi.org/10.1103/PhysRevB.39.542.

E Rabani , D R Reichman , P L Geissler , L E Brus . Nature , 2003 . 426 271 - 274 . DOI:10.1038/nature02087http://doi.org/10.1038/nature02087.

G Yosef , E Rabani . J Phys Chem B , 2006 . 110 20965 - 20972 . DOI:10.1021/jp063668uhttp://doi.org/10.1021/jp063668u.

更多指标>

浏览量

下载量

CSCD

文章被引用时，请邮件提醒。

提交

工具集

关联资源

暂无数据