稀溶液中Rod-Coil-Rod三嵌段共聚物组装结构的耗散粒子动力学模拟

doi:10.3866/PKU.WHXB201312271

Abstract

Abstract:

The aggregate morphology of rod-coil-rod copolymers in a dilute solution was investigated by dissipative particle dynamics simulations. The influences of the mutual compatibility between rod and coil blocks, the solvent property, the coil length, and the copolymer concentration on the aggregate structure were studied in detail. The simulation results show that the increase of the mutual compatibility between rod and coil blocks induces transformation of the aggregate morphology from spherical, to onion-like, to cage-like, and ultimately to cylindrical. With the increase in the hydrophobicity of the coil block, the cagelike aggregate changes into an onion-like aggregate, then a patchy aggregate, and then an inverted onionlike aggregate. Finally, a phase diagram of the rod-coil-rod triblock copolymers as a function of the coil length and the copolymer concentration is presented. It shows that cage aggregates are easily formed when the coil length is long and the concentration is relatively low, whereas onion-like aggregates are preferred when the coil length is short and the concentration is moderately low.

Key words: Rod-coil-rod copolymer, Aggregation, Computer simulation, Morphology, Radial density distribution

FAN Zhong-Xiang, HUANG Jian-Hua. Dissipative Particle Dynamics Simulation on Aggregation of Rod-Coil-Rod Triblock Copolymer in Dilute Solution[J]. Acta Phys. -Chim. Sin. 2014, 30(3), 408-412. doi: 10.3866/PKU.WHXB201312271

References

(1) Tung, Y. C.; Wu, W. C.; Chen, W. C. Macromol. Rapid Commun. 2006, 27 (21), 1838.
(2) Vriezema, D. M.; Hoogboom, J.; Velonia, K.; Takazawa, K.; Christianen, P. C. M.; Maan, J. C.; Rowan, A. E.; Nolte, R. J. M. Angew. Chem. Int. Edit. 2003, 42 (7), 772. doi: 10.1002/anie.200390204
(3) Lin, C. H.; Tung, Y. C.; Ruokolainen, J.; Mezzenga, R.; Chen, W. C. Macromolecules 2008, 41 (22), 8759. doi: 10.1021/ma8016629
(4) Horsch, M. A.; Zhang, Z.; Glotzer, S. C. J. Chem. Phys. 2006, 125 (18), 184903. doi: 10.1063/1.2363983
(5) He, L. L.; Zhang, L. X.; Ye, Y. S.; Liang, H. J. J. Phys. Chem. B 2010, 114 (21), 7189. doi: 10.1021/jp101129p
(6) Jenekhe, S. A.; Chen, X. L. Science 1999, 283 (5400), 372. doi: 10.1126/science.283.5400.372
(7) Cai, C. F.; Wang, L. Q.; Lin, J. P.; Zhang, X. Langmuir 2012, 28 (9), 4515. doi: 10.1021/la204941w
(8) Ding, W.; Lin, S.; Lin, J.; Zhang, L. J. Phys. Chem. B 2008, 112 (3), 776. doi: 10.1021/jp076939p
(9) Pinol, R.; Jia, L.; Gubellini, F.; Levy, D.; Albouy, P. A.; Keller, P.; Cao, A.; Li, M. H. Macromolecules 2007, 40 (16), 5625. doi: 10.1021/ma071064y
(10) Olsen, B. D.; Segalman, R. A. Mater. Sci. Eng. R-Rep. 2008, 62 (2), 37. doi: 10.1016/j.mser.2008.04.001
(11) Zhu, X. M.; Wang, L. Q.; Lin, J. P. J. Phys. Chem. B 2013, 117 (18), 5748. doi: 10.1021/jp400882h
(12) Chen, J. Z.; Sun, Z. Y.; Zhang, C. X.; An, L. J.; Tong, Z. J. Chem. Phys. 2008, 128 (7), 074904. doi: 10.1063/1.2831802
(13) Yang, Z. F.;Wu, J. G.; Yang, Y. K.; Zhou, X. P.; Xie, X. L. Front. Chem. Eng. China 2008, 2 (1), 85. doi: 10.1007/s11705-008-0003-6
(14) Li, K.; Wang, Q. Chem. Commun. 2005, 4786.
(15) Yang, Z. F.; Wang, X. T.; Yang, Y. K.; Liao, Y. G.; Wei, Y.; Xie, X. L. Langmuir 2010, 26 (12), 9386. doi: 10.1021/la100382s
(16) Yuan, S. L.; Wu, R.; Cai, Z. T. Acta Phys. -Chim. Sin. 2004, 20 (8), 811. [苑世领,吴锐,蔡政亭. 物理化学学报, 2004, 20 (8), 811.] doi: 10.3866/PKU.WHXB20040806
(17) Chou, S. H.; David, T. W.; Tsao, H. K.; Sheng, Y. J. Soft Matter 2011, 7 (19), 9119. doi: 10.1039/c1sm05808h
(18) Chen, H. Y.; Ruckenstein, E. Soft Matter 2012, 8 (34), 8911. doi: 10.1039/c2sm26035b
(19) Huang, J. H.; Fan, Z. X.; Ma, Z. X. J. Chem. Phys. 2013, 139 (6), 064905. doi: 10.1063/1.4818417
(20) Hoogerbrugge, P. J.; Koelman, J. M. V. A. Europhys. Lett. 1992, 19 (3), 155. doi: 10.1209/0295-5075/19/3/001
(21) Español, P. Europhys. Lett. 1997, 40 (6), 631. doi: 10.1209/epl/i1997-00515-8
(22) Ripoll, M.; Ernst, M. H.; Español, P. J. Chem. Phys. 2001, 115 (15), 7271. doi: 10.1063/1.1402989
(23) Kremer, K.; Grest, G. S. J. Chem. Phys. 1990, 92 (8), 5057. doi: 10.1063/1.458541
(24) AlSunaidi, A.; den Otter, W. K.; Clarke, J. H. R. Philos. Trans. R. Soc. London, Ser. A 2004, 362 (1821), 1773. 15 doi: 10.1098/rsta.2004.1414
(25) Groot, R. D.; Warren, P. B. J. Chem. Phys. 1997, 107 (11), 4423. doi: 10.1063/1.474784
(26) Chou, S. H.; Tsao, H. K.; Sheng, Y. J. J. Chem. Phys. 2011, 134 (3), 034904. doi: 10.1063/1.3537977
(27) Chen, H. Y.; Ruckenstein, E. Soft Matter 2012, 8 (5), 1327. doi: 10.1039/c2sm06968g
(28) Kong, W. X.; Li, B. H.; Jin, Q. H.; Ding, D. T.; Shi, A. C. Langmuir 2010, 26 (6), 4226. doi: 10.1021/la903292f

[1]	Qiuju Liang, Yinxia Chang, Chaowei Liang, Haolei Zhu, Zibin Guo, Jiangang Liu. Application of Crystallization Kinetics Strategy in Morphology Control of Solar Cells based on Nonfullerene Blends [J]. Acta Phys. -Chim. Sin., 2023, 39(7): 2212006-0.
[2]	Miaomiao Liu, Wenjuan Wang, Xiuping Hao, Xiaoyan Dong. Seeding and Cross-Seeding Aggregations of Aβ40 and hIAPP in Solution and on Surface [J]. Acta Phys. -Chim. Sin., 2022, 38(3): 2002024-.
[3]	Huimei Duan, Huijuan Wang, Weixin Huang. Influence of Polyvinylpyrrolidone Capping Ligands on Electrocatalytic Oxidation of Methanol and Ethanol over Palladium Nanocrystal Electrocatalysts [J]. Acta Phys. -Chim. Sin., 2021, 37(10): 2003005-.
[4]	Fanyang Huang, Yulin Jie, Xinpeng Li, Yawei Chen, Ruiguo Cao, Genqiang Zhang, Shuhong Jiao. Correlation between Li Plating Morphology and Reversibility of Li Metal Anode [J]. Acta Phys. -Chim. Sin., 2021, 37(1): 2008081-.
[5]	Jing Zhang, Lina Wang, Xiaofei Chen, Yufeng Wang, Chengyan Niu, Lixin Wu, Zhiyong Tang. Redox-Regulated Dynamic Self-Assembly of a Lindqvist-Type Polyoxometalate Complex [J]. Acta Physico-Chimica Sinica, 2020, 36(9): 1912002-.
[6]	Ming Zhang, Fengqi Zhao, Yanjing Yang, Hui Li, Jiankan Zhang, Wenzhe Ma, Hongxu Gao, Na Li. Shape-Dependent Catalytic Activity of Nano-Fe₂O₃ on the Thermal Decomposition of TKX-50 [J]. Acta Physico-Chimica Sinica, 2020, 36(6): 1904027-.
[7]	Changsheng Zhang,Luhua Lai. Physiochemical Mechanisms of Biomolecular Liquid-Liquid Phase Separation [J]. Acta Physico-Chimica Sinica, 2020, 36(1): 1907053-.
[8]	Jianmei JIAO,Guiying XU,Xia XIN. Effect of Bile Salts on Self-Assembly and Construction of Micro-/nanomaterials [J]. Acta Phys. -Chim. Sin., 2019, 35(7): 684-696.
[9]	Dandan CAO, Rong LÜ, Anchi YU. Preparation and Characterization of Carbon Nitride Film with High Optical Quality [J]. Acta Physico-Chimica Sinica, 2019, 35(4): 442-450.
[10]	Hongyao YIN,Yue YU,Zongcheng LI,Ganghong ZHANG,Yujun FENG. Smart Honeycomb-Patterned Porous Films: Fabrications, Responsive Properties, and Applications [J]. Acta Physico-Chimica Sinica, 2019, 35(12): 1341-1356.
[11]	Zhe WANG,Kangle JIA,Tongqing LIU,Junwen HU,Xuefeng LI,Jinfeng DONG. pH and Light Reconfigured Complex Emulsions by Stimuli-Responsive Surfactants [J]. Acta Phys. -Chim. Sin., 2019, 35(1): 84-91.
[12]	Jingyuan ZHOU,Jin ZHANG,Zhongfan LIU. Advanced Progress in the Synthesis of Graphdiyne [J]. Acta Phys. -Chim. Sin., 2018, 34(9): 977-991.
[13]	Xiaomeng CHENG,Dongxia JIAO,Zhihao LIANG,Jinjin WEI,Hongping LI,Junjiao YANG. Self-Assembly Behavior of Amphiphilic Diblock Copolymer PS-b-P4VP in CO₂-Expanded Liquids [J]. Acta Phys. -Chim. Sin., 2018, 34(8): 945-951.
[14]	Xiaohong GUO,Ying ZHOU,Lihong SHI,Yan ZHANG,Caihong ZHANG,Chuan DONG,Guomei ZHANG,Shaomin SHUANG. Luminescence Emission of Copper Nanoclusters by Ethanol-induced Aggregation and Aluminum Ion-induced Aggregation [J]. Acta Phys. -Chim. Sin., 2018, 34(7): 818-824.
[15]	Jie HAN,Qiuju LIANG,Yi QU,Jiangang LIU,Yanchun HAN. Morphology Control of Non-fullerene Blend Systems Based on Perylene [J]. Acta Phys. -Chim. Sin., 2018, 34(4): 391-406.

Dissipative Particle Dynamics Simulation on Aggregation of Rod-Coil-Rod Triblock Copolymer in Dilute Solution

PDF

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Recommended 0