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《CIESC Journal》 2019-01
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Molecular dynamics simulations core-shell self-assembly from amphiphilic polymer and hydrophobic nanoparticle

XIANG Wenjun;ZHU Zhaoju;LIU Dan;ZHOU Lüshan;School of Chemistry and Chemical Engineering, Sichuan University of Arts and Science;  
Based on the Martini force field, the structure of Pluronic block copolymer on the hydrophobic nano-surface self-assembled film was studied by coarse-grained molecular dynamics simulation. The effect of structure of Pluronic copolymer on the self-assembled monolayer film structure is studied systematically. As simulation results show the core-shell structure of polymer-nanoparticle composites were formed whose core originates from nanoparticle while their shell is composed with Pluronic copolymer. The concentration and structure of Pluroniccopolymers have a significant influence on the core-shell structure. At lower concentration, a completely coveredfilm was observed with crimp configuration of ethylene oxide(EO) blocks, meanwhile layered film covered on theNP surface. With further rise in the concentration, star-shaped films with stretching configuration of EO blockswere formed. The thickness of shell-layer increases as increasing the relative molecular weights of polymers.Moreover, Pluronic copolymers revealed a special assembled pattern on a NP surface: transform from"S-shaped"to"W-shaped"or"U-shaped"as increasing the molar ratio of propylene oxide(PO). This result may be caused bythe fact that limited hydrophobic NP surface can. t provide enough adsorption sites as increasing the polymer concentration.
【Fund】: 四川省科技厅应用基础T研究面上项目(2018JY0299);; 四川省教育厅重点项目(17ZA0337)
【CateGory Index】: O631.1;TB383.1
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【Citations】
Chinese Journal Full-text Database 2 Hits
1 Wang,Liquan Lin,Jiaping* Zhang,Qian(Shanghai Key Laboratory of Advanced Polymeric Materials,School of Materials Science and Engineering,East China University of Science and Technology,Shanghai 200237);Dissipative Particle Dynamics Simulation on Self-Assembly of Comb-Coil Copolymers[J];化学学报;2013-06
2 Sun,Nuannuan Li,Yiming* Wang,Dongxiang Bao,Mutai Tong,Linjuan(Key Laboratory of Marine Chemistry Theory and Technology,Ministry of Education,Ocean University of China,Qingdao 266100);Mesoscopic Simulation Studies on the Self-assembly of Pluronic at Oil/Water Interface[J];化学学报;2013-02
【Co-citations】
Chinese Journal Full-text Database 5 Hits
1 HAN Han;YUAN Jinfang;GAO Qingyu;Institute of Fine Chemical and Engieering,College of Chemistry and Chemical Engineering,Henan University;;Synthesis and photo-responsive behavior of an novel azobenzene-functionalized amphiphilic copolymer[J];功能材料;2015-09
2 Xu-guang Cao;Tao Jiang;Li-quan Wang;Liang-shun Zhang;Jia-ping Lin;Chun-hua Cai;Shanghai Key Laboratory of Advanced Polymeric Materials,School of Materials Science and Engineering,East China of University of Science and Technology;;Self-assembly Behavior of Mixtures of Amphiphilic AB Block Copolymers and Solvophobic BC Block Copolymers[J];高分子学报;2015-04
3 Xue-hong Huang;Xun Song;Wen-mei Xie;Fu-chuan Ding;Qi-dan Ling;College of Materials Science and Engineering,Fujian Normal University,Fujian Key Laboratory of Polymer Materials;;Synthesis and Properties of Side-chain-type PEEK-g-DMAEMA Anion Exchange Membranes via ATRP[J];高分子学报;2014-09
4 HUANG Xuehong;LIN Juan;ZHENG Ronxue;LIN Yifeng;DING Fuchuan;LING Qidan;Fujian Key Laboratory of Polymer Materials,College of Materials Science and Engineering,Fujian Normal University;;Synthesis of Side-chain-sulfonated Poly(ether ether ketone) as Cation Exchange Membranes by Atom Transfer Radical Polymerization[J];应用化学;2014-08
5 LIN Yifeng;HUANG Xuehong;ZHENG Rongxue;LIN Juan;DING Fuchuan;LING Qidan;College of Materials Science and Engineering,Fujian Normal University,Fujian Key Laboratory of Polymer Materials;;Synthesis and Properties of Comb-shaped Sulfonated Poly(ether ether ketone) as Cation Exchange Membrane by RAFT[J];高等学校化学学报;2014-03
【Secondary Citations】
Chinese Journal Full-text Database 10 Hits
1 Liu,Hongyan Guo,Hongyu Zhou,Jian*(School of Chemistry and Chemical Engineering,Guangdong Provincial Key Lab for Green Chemical Product Technology,South China University of Technology,Guangzhou 510640);Computer Simulations on the Anticancer Drug Delivery System of Docetaxel and PLGA-PEG Copolymer[J];化学学报;2012-23
2 Yang,Youqiang Sun,Qingqing Zhang,Canyang Guo,Xindong Zhang,Lijuan Wen,Xiufang (School of Chemistry and Chemical Engineering,South China University of Technology,Guangzhou 510640);Synthesis of pH-Sensitive Amphiphilic Copolymer Brush by the Combination of ARGET ATRP with ROP and Its Self-Assembly Behavior[J];化学学报;2012-04
3 Bao,Ren Li,Li Qiu,Feng Yang,Yuliang(Key Laboratory of Molecular Engineering of Polymers,Ministry of Education,Department of Macromolecular Science,Fudan University,Shanghai 200433);Self-assembly Behaviors of Comb-Coil Poly(styrene-isoprene) Copolymers in Alkanes[J];化学学报;2011-20
4 Fan,Juanjuana,b,c Han,Yuanyuana Jiang,Wei,a(a State Key Laboratory of Polymer Physics and Chemistry,Changchun Institute of Applied Chemistry,Chinese Academy of Sciences,Changchun 130022)(b Graduate University of the Chinese Academy of Sciences,Beijing 100049)(c College of Information Technology,Jilin Agricultural University,Changchun 130118);Monte Carlo Simulation of the Self-assembly of Amphiphilic Triblock Copolymer in Binary Block-Selective Solvents[J];化学学报;2011-19
5 Li,Chaoa Gao,Yuanb Zhang,Jianjun,a Zhu,Jiabi,a Wu,Lianhuab(a Department of Pharmaceutics,China Pharmaceutical University,Nanjing 210009)(b Department of Chinese Medicine Pharmaceutics,China Pharmaceutical University,Nanjing 210009);Effect of Poloxamer F127 and Paeonol on GMO-Based Liquid Crystal Transformation[J];化学学报;2011-13
6 CHEN Yan1,ZHONG Jing1* ,HUANG Wei-Qiu2,CHEN Ruo-Yu1, HU Wen-Hu1,CHEN Cheng-Lung3 ( 1. College of Chemistry and Chemical Engineering,Changzhou University,Changzhou 213164,China; 2. College of Mechanical and Energy Engineering,Changzhou University,Changzhou 213016,China; 3. Department of Chemistry,National Sun Yat-sen University,Kaohsiung 80424,Taiwan,China);Simulation on the Phase Separation Behavior of Triblock Copolymers EO_(20)PO_(70)EO_(20) by Dissipative Particle Dynamics[J];高等学校化学学报;2010-09
7 LIANG Xiangfeng,GUO Chen,LIU Qingfen,LIU Huizhou(Institute of Process Engineering,Chinese Academy of Sciences,Key Laboratory of Green Process and Engineering,Chinese Academy of Sciences,Beijing 100190,China);Self-assembly of PEO-PPO-PEO block copolymer in aqueous solution and its application[J];化工学报;2010-07
8 Li,Zhenquana Qian,Jianb Cao,Xulonga Song,Xinwanga Wu,Feipeng,b (a Geological Research Institute of Shengli Oilfield Co.Ltd.SINOPEC,Dongying 257015) (b Key Laboratory of Photochemical Conversion and Optoelectronic Materials,Technical Institute of Physics and Chemistry,Chinese Academy of Sciences,Beijing 100190);pH-Sensitive Vesicles Prepared from Supramolecular Graft Copolymers and the Application in the Controlled Release of Drug[J];化学学报;2010-02
9 ZHANG Xiu-Qing1 YUAN Shi-Ling1,2,* XU Gui-Ying1 LIU Cheng-Bu2 (1Key Laboratory of Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan 250100, P. R. China; 2Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P. R. China);Mesoscopic Simulation of the Phase Separation on Triblock Copolymer in Aqueous Solution[J];物理化学学报;2007-02
10 Yuan Shi-Ling Wu Rui Cai Zheng-Ting (Institute of Theoretical Chemistry, Shandong University, Jinan 250100);Dissipative Particle Dynamics Simulation on the Block Polymer in Aqueous Solution[J];物理化学学报;2004-08
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