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Self-assembly Behavior of Rod-Coil-Rod triblock copolymers within a Planar Slit

Chinese Journal of Polymer Science 2016年第7期34卷 838-849页

作者： ya-juan su 黄建花 Department of Chemistry Zhejiang Sci-Tech University Hangzhou 310018 China

The self-assembly behavior of sphere-forming R_5C_（30）R_5 triblock copolymers within a planar slit is studied by performing dissipative particle dynamics simulations. A sequence of novel structures which are not observed in bulk are formed within slits, including wetting layers, island-like structure, parallel cylinders, perpendicular cylinders and crosscylindrical structures. Perpendicular cylinders are always formed before the increase in the layers of parallel cylinders. A phase diagram of the assembled structures with respective to the slit property and height is thus presented. The rod length is found to have a significant impact on the rod alignment, and a disordered-ordered transition of rod orientation occurs with an increase in the length of rod blocks. Some special structures, such as parallel half-cylinders and arrowhead-shaped morphology, are observed when the rod length increases to a certain extent. Our results show that the property and height of the slit and rod length all influence the self-assembly of rod-coil-rod triblock copolymers.

关键词： Self-assembly triblock copolymers Slit Simulation

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SELF-ASSEMBLY OF LINEAR triblock copolymers UNDER CYLINDRICAL NANOPORE CONFINEMENTS

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Chinese Journal of Polymer Science 2013年第1期31卷 122-138页

作者： Wen-juan Qiu 李士本 Yong-yun Ji Lin Xi Zhang Department of Physics Wenzhou University Department of Physics Zhejiang University

The self-assembly of linear ABC triblock copolymers under cylindrical confinements is investigated in two- dimensional space using the real-space self-consistent field theory. The effects of confinement degrees and preferential strengths on the triblock copolymer phase behaviors with special polymer parameters are first considered. On one hand, different confinement degrees cause different phase behaviors in nanopores with the neutral surfaces. Moreover, the strongly preferential surface fields can surpass the confinement degrees and volume fractions in determing the confined phase behaviors. On the other hand, in contrast, confined morphologies are more sensitive to the variations in the A-preferential surface field strength. Subsequently, the incompatibility degrees between different blocks are systematically varied under cylindrical nanopore confinements. Under cylindrical nanopore confinements, the morphologies are very sensitive to the variations in the incompatibility degrees. Meanwhile, nanopore confinements can affect order-disorder and order-order transition points in the bulk. The corresponding free, internal, and entropic energies as well as the order parameters are also quantificationally examined to deeply investigate the confined phase mechanisms, and a number of morphological transitions are confirmed to be of first-order. These findings may guide the design of novel nanostructures based on triblock copolymers by introducing confinements.

关键词： triblock copolymers Cylindrical confinements Self-assembly Self-consistent field theory.

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Monte Carlo Simulation for the Adsorption of Symmetric triblock copolymers

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Chinese Journal of Chemical Engineering 2004年第3期12卷 357-362页

作者：彭昌军李健康刘洪来胡英 Department of Chemistry State Key Laboratory of Chemical Engineering East China University of Science and Technology Shanghai 200237 China Department of Chemistry State Key Laboratory of Chemical Engineering East China University of Science and Technology Shanghai 200237 Chinahe adsorption behavior of symmetric triblock copolymers Am/2BnAm/2 from a nonselective solvent at solid-liquid interface has been studied by Monte Carlo simulations on a simple lattice model. Either segment A or segment B is attractive while the other is non-attractive to the surface. Influences of the adsorption energy bulk concentration chain composition and chain length on the microstructure of adsorbed layers are presented. The results show that the total surface coverage and the adsorption amount increases monotonically as the bulk concentration increases. The larger the adsorption energy and the higher the fraction of adsorbing segments the higher the total surface coverage is exhibited. The product of surface coverage and the proportion of non-attractive segments are nearly independent of the chain length and the logarithm of the adsorption amount is a linear function of the reciprocal of the reduced temperature. When the adsorption energy is larger the adsorption amount exhibits a maximum as the fraction of adsorbing segment increases. The adsorption isotherms of copolymers with different length of non-attractive segments can be mapped onto a single curve under given adsorption energy. The adsorption layer thickness decreases as the adsorption energy and the fraction of adsorbing segments increases but it increases as the length of non-attractive segments increases. The tails mainly govern the adsorption layer thickness.

The adsorption behavior of symmetric triblock copolymers, Am/2BnAm/2, from a nonselective solvent at solid-liquid interface has been studied by Monte Carlo simulations on a simple lattice model. Either segment A or segment B is attractive, while the other is non-attractive to the surface. Influences of the adsorption energy, bulk concentration, chain composition and chain length on the microstructure of adsorbed layers are presented. The results show that the total surface coverage and the adsorption amount increases monotonically as the bulk concentration increases. The larger the adsorption energy and the higher the fraction of adsorbing segments, the higher the total surface coverage is exhibited. The product of surface coverage and the proportion of non-attractive segments are nearly independent of the chain length, and the logarithm of the adsorption amount is a linear function of the reciprocal of the reduced temperature. When the adsorption energy is larger, the adsorption amount exhibits a maximum as the fraction of adsorbing segment increases. The adsorption isotherms of copolymers with different length of non-attractive segments can be mapped onto a single curve under given adsorption energy. The adsorption layer thickness decreases as the adsorption energy and the fraction of adsorbing segments increases, but it increases as the length of non-attractive segments increases. The tails mainly govern the adsorption layer thickness.

关键词： triblock copolymers surface adsorption Monte Carlo simulation lattice model

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聚（苯乙烯-b-异丁烯-b-苯乙烯）三嵌段共聚物的合成

聚（苯乙烯-b-异丁烯-b-苯乙烯）三嵌段共聚物的合成

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2012年全国高分子材料科学与工程研讨会

作者：陈颖任苹伍一波李树新郭文莉北京化工大学材料科学与工程学院北京石油化工学院材料科学与工程系

＜正＞热塑性弹性（TPE）,是一种兼有塑料和橡胶特性,在常温下显示橡胶高弹性,高温下又能塑化成型的高分子材料。中间链段化学结构饱和的聚（苯乙烯-b-异丁烯-b-苯乙烯）（SIBS）,具有优异的热氧稳定性、减震性能以及对水和气体阻隔性... 详细信息

＜正＞热塑性弹性（TPE）,是一种兼有塑料和橡胶特性,在常温下显示橡胶高弹性,高温下又能塑化成型的高分子材料。中间链段化学结构饱和的聚（苯乙烯-b-异丁烯-b-苯乙烯）（SIBS）,具有优异的热氧稳定性、减震性能以及对水和气体阻隔性能。另外,SIBS还具有良好的生物稳定性,广泛应用于生物医药领域,因此,对其的研究与开发应用受到人们的重视。

关键词： Cationic polymerization Poly(styrene-b-isobutylene-b-styrene)(SIBS) triblock copolymers

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