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国家自然科学基金(21274145)

作品数:5 被引量:4H指数:1
相关作者:姜伟崔杰韩媛媛王英英高志华更多>>
相关机构:东北师范大学中国科学院中国科学院大学更多>>
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ABC三嵌段共聚物在受限孔道中自组装行为的Monte Carlo模拟被引量:1
2016年
采用Monte Carlo模拟方法研究了在本体条件下形成四角排列柱状相的ABC线型三嵌段共聚物在受限孔道中的自组装行为.模拟结果表明共聚物的自组装结构依赖受限孔道的尺寸.在尺寸较大的孔道中,自组装结构与体系的初始态无关,表现出单一的套索结构;而在尺寸较小的孔道中,自组装结构与体系的初始态有关,表现出双螺旋、平行柱、堆积盘等结构.进一步研究结果表明,当孔道直径与体系在本体条件下的平衡周期不匹配时,体系相互作用能密度高的结构出现的概率高;而二者相匹配时,相互作用能密度高的结构出现的概率低.此外,对同一螺旋结构的统计分析表明,随着孔道尺寸的增加,体系中高分子链的均方末端距也随之增加,并且高分子链在圆柱孔道中由小孔道尺寸下沿垂直圆柱长轴方向排列逐渐转变为大孔道尺寸下沿圆柱长轴方向排列.
高志华韩媛媛崔杰姜伟
关键词:三嵌段共聚物自组装MONTECARLO模拟相行为
在平行板受限条件下AB两嵌段共聚物/纳米粒子复合物自组装行为的Monte Carlo模拟被引量:1
2016年
采用Monte Carlo模拟方法研究了在平行板受限条件下A_(15)B_5非对称两嵌段共聚物与纳米粒子复合物的自组装行为,其中平行板对多组分嵌段A具有吸引相互作用.模拟结果表明,纳米粒子在两嵌段共聚物/纳米粒子复合物中的体积分数、嵌段共聚物不同嵌段与纳米粒子间的相互作用均对体系在平行板受限条件下的形貌结构及纳米粒子在体系中的分布有重要影响.当平行板间距一定时,未添加纳米粒子的A_(15)B_5非对称两嵌段共聚物中的A嵌段被吸附在平行板上形成层状相,而B嵌段则在平行板中形成六角堆积穿孔层状结构.加入与A嵌段不相容而与B嵌段相容的纳米粒子后,增加了纳米粒子与B嵌段的相容性,有利于保持B嵌段所形成的穿孔结构及孔洞尺寸,同时纳米粒子能够均匀地分散在B相区中.当引入的纳米粒子与A和B两嵌段均不相容时,降低纳米粒子与嵌段共聚物的不相容性同样有利于维持体系的穿孔结构.当纳米粒子与AB两嵌段共聚物间的排斥作用微弱时,即使含量较高,纳米粒子也不聚集,并且均匀分布在A相区与B相区的交界处.
王英英崔杰韩媛媛姜伟孙迎春
关键词:嵌段共聚物自组装MONTECARLO模拟
BCP/NP复合物在圆柱形受限空间中自组装行为的Monte Carlo模拟
近期有关两嵌段共聚物在受限条件下自组装行为的研究受到了人们的广泛关注[1]。其中,有关嵌段共聚物在圆柱形二维受限空间中自组装行为的研究尤为引人注意[2]。李宝会教授研究组采用Monte Carlo模拟方法系统地研究了受限...
王英英韩媛媛姜伟孙迎春
关键词:嵌段共聚物自组装
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SIMULATION STUDY OF CO-ASSEMBLY OF ABC TRIBLOCK COPOLYMER/NANOPARTICLE INTO MULTICOMPARTMENT HYBRIDS IN SELECTIVE SOLVENT被引量:2
2013年
Co-assembly of ABC linear triblock copolymer/nanoparticle into bump-surface multicompartment hybrids in selective solvent was studied through self-consistent field theory (SCFT) simulation. Results from three-dimensional SCFT simulation showed that the hybrid morphology depended on the length and number of grafted chains, whereas the number and shape of bumps relied on nanoparticle size. Moreover, the simulation results showed that the length and number of grafted chains had equivalent effect on hybrid morphology. Calculated results indicated that entropy was a more important factor than enthalpy in the co-assembly.
Jie CuiWei LiWei Jiang
关键词:NANOPARTICLE
SYNTHESIS AND PROPERTIES OF BIFUNCTIONAL MAGNETIC-OPTICAL NANOMATERIALS:Fe_2O_3@PDMAEMA-CAPPED Ⅱ-Ⅵ SEMICONDUCTOR QUANTUM DOTS NANOCOMPOSITES
2013年
A facile route to synthesize a new type of multifunctional nanocomposites is reported. Here, PDMAEMA (poly[2- (dimethylamino)ethyl] methacrylate) is a key macromolecule serving as a bridge between magnetic FeaO3 nanoparticles and luminescent quantum dots. Both Fe203 nanoparticles and II-VI semiconductor quantum dots with a narrow size distribution are synthesized through a two-phase thermal approach. Subsequently, the atom transfer radical polymerization (ATRP) technique was applied to prepare magnetic Fe203@PDMAEMA core-shell nanoparticles. The thickness of PDMAEMA shell can be easily controlled by adjusting the reaction time. Finally, the ligand exchange method was exploited to modify II-VI quantum dot with amine-containing polymer of PDMAEMA, which led to quantum dot securely bound by Fe203@PDMAEMA core-shell nanoparticle to form a multifunctional nanocomposite. The resulting nanocomposite remains variable emission by tuning the II-VI semiconductor type and particle size and shows/arc at 49 kA/m and Tb at 16 K from Fe2O3 nanoparticles. The self-assembled behavior for the resulting samples is also discussed.
Na-na ZhaoWei NieJun MaoWei-cai WangXiang-ling Ji
关键词:ATRP
动力学控制纳米粒子在嵌段共聚物胶束中的位置
嵌段共聚物与无机纳米粒子的共组装体由于具有良好的水溶性、稳定性和功能性而被广泛研究,在生物成像、药物运输等方面具有潜在的应用价值。然而,纳米粒子在共组装体中的位置及分布将直接影响共组装体的性能,所以对纳米粒子的位置调控显...
刘巍姬相玲
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Influence of Mixed Common Solvent on the Co-assembled Morphology of PS-b-PEO and CdS Quantum Dots
2016年
The hybrid structures of polystyrene-b-poly(ethylene oxide) (PS-b-PEO) block copolymer and inorganic nanoparticles with good stability and biocompatibility have potential applications in drug delivery and bioimaging. Spherical co-assemblies of PS120-b-PEO318 and oleylamine-capped CdS quantum dots (QDs) are produced successfully in this work by adding water to a mixed common solvent, such as N,N-dimethylmethanamide (DMF)/chloroform, DMF/tetrahydrofuran (THF), or DMF/toluene. The energy dispersive X-ray (EDX) spectrum indicates that QDs are located at the interface between the core and shell of the spherical co-assemblies. The co-assembly process during water addition is traced by transmission electron microscopy (TEM) and turbidity measurement. Spherical co-assemblies are formed through budding from bilayers of the block copolymer and QDs. The morphology of the co-assemblies is related to the miscibility of the QD-dispersing solvents with water and the morphology changes from a spherical to a vesicle-like structure with DMF/toluene. Increasing THF content in the mixed solvent causes morphological transitions from spherical co-assemblies to multi-branched cylinders and micelles where QDs are located in the central core. Increasing chloroform content yields vesicle-like structures with protruding rods on the surface. The mechanism of the morphological transitions is also discussed in detail.
Wei Liu张海山姬相玲
关键词:PS-B-PEO
ABC三嵌段共聚物共混物自组装方柱的自洽场模拟
通常情况下,单一的线型ABC三嵌段共聚物能够形成四角排列的圆柱形相区(Fig.1a)。而采用将两种三嵌段共聚物共混的方式,人们在实验中得到了四角排列的方形柱状相区[1](Fig.1b)。这种方形相区在制备具有特殊光电性质...
崔杰韩媛媛姜伟
关键词:三嵌段共混方柱
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接枝聚合物链构象对蛋白质在接枝聚合物表面吸附行为影响的Monte Carlo模拟
随着高分子科学的飞速发展,越来越多的人工合成高分子材料被应用于医疗器械的生产与制造。由人工合成高分子材料制造的医疗器械(如血袋、血液透析管、静脉输液器、心肺分流术用软管等)在使用过程中不可避免地要与血液中的蛋白质接触。而...
韩媛媛麻家妮金晶崔杰姜伟
关键词:蛋白质吸附抗污
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