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1.
运用扩展的自洽场和密度泛函理论(SCF/DFT),研究ABC蝌蚪形两亲高分子在稀溶剂中的自组装形态,其中蝌蚪形两亲高分子由线形嵌段共聚物链AB嫁接到球形纳米颗粒C上构成.与以往研究的线形ABC两亲高分子相比,蝌蚪形两亲高分子的自组装形态有着很大的不同.在粒子亲溶剂,嵌段共聚物疏溶剂时,各组分间弱分凝条件下,蝌蚪形两亲高分子自组装成胶球状形貌;在强分凝条件下,随着嵌段共聚物疏溶剂性的增强,两亲高分子的自组织态由胶球状转变成四角、三角状形貌,其中嵌段B主要分布在各角上.通过改变各组分间的相互作用,在嵌段A亲溶剂,嵌段B和粒子疏溶剂时,粒子呈平行棒状或小方块状分布在胶球中. 相似文献
2.
本文采用自洽场理论模拟了AB/CD嵌段共聚物共混体系的自组装. 改变组分B与D间的相互作用, 得到了不同空间尺度上的两种层状结构和只能在非对称组成情况才能得到的核壳结构. 结果表明, 这种多尺度结构的形成是因为BD间排斥作用的减弱或者吸引 作用的增强导致二者间相互融合程度的增加. 当BD间的相互融合程度与AB和CD间的相互融合程度相当时, 体系会发生宏观层状与微观层状结构间的转变. 此外, 本文还从能量角度揭示了体系发生这种结构转变的深层次原因.
关键词:
嵌段共聚物
共混
多尺度结构
自洽场 相似文献
3.
采用Monte Carlo模拟方法研究了多嵌段聚合物在A/B/嵌段聚合物三组份体系作为相容剂使用的有效性.占总体积19%的A组份在体系中为分散相.模拟结果显示了两嵌段和多嵌段聚合物在界面上的聚集行为,以及如何影响这个不相容体系的相形为.两嵌段聚合物趋于直立在相界面上,而多嵌段聚合物更容易横跨在相界面上并占据较大的界面积.从而导致多嵌段聚合物更有效的阻止体系相分离的发生. 相似文献
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采用我们前期发展的测定多相高聚物中界面相厚度及相区尺寸的NMR新方法对两种不同嵌段结构的聚苯乙烯-聚丁二烯嵌段共聚物进行了研究,并与关于界面相厚度的高分子物理理论结果进行对比. 该NMR方法采用偶极滤波-自旋扩散技术分别测定非界面相的柔性区与界面相中质子的百分含量,然后根据界面相与柔性相的几何关系计算界面相厚度. 研究结果表明这两种嵌段共聚物具有几乎相同的界面相厚度,该结果与Helfand等人关于多相高聚物中界面相厚度的自洽场理论预言基本符合. 相似文献
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7.
采用固体NMR研究MPEG-PLA双嵌段共聚物的固态相区结构 总被引:3,自引:0,他引:3
采用固体核磁共振方法,研究了AB型聚(L-丙氨酸)聚乙二醇嵌段共聚物(MPEG-b-PLA)的固态微相结构. 13C核的交叉极化与直接极化实验表明,MPEG中存在晶态和非晶态两种相区结构,PLA则含有大量的α螺旋与少量的β折叠二级结构. 由交叉极化过程下的13C自旋-晶格弛豫时间(T1)测定结果进一步表明,MPEG链段由于嵌段结构使结晶过程受抑制,结晶度明显下降. PLA链段以结晶态形式存在,并由于大量α螺旋和β折叠有序结构的存在, 链段非常刚性,运动严重受限,而β位甲基因为可以自由旋转,所以运动能力较α位次甲基和羰基强. 相似文献
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《物理学报》2016,(22)
采用自洽场理论研究了AB两嵌段共聚物受限于交替接枝两种不同性质的聚合物刷平行板间的相行为.考虑了嵌段共聚物对称性、聚合物刷接枝周期、聚合物刷体积分数、平板间距以及AB嵌段间的相互作用参数对体系相形貌的影响,获得了四角柱状与六角柱状的交替相、四角柱状与八角柱状的交替相、平行的斜层状相以及弯层状相等结构;同时发现,接枝周期性混合刷有利于减少体系无序相的产生,并且较小周期的聚合物刷体系有利于六角柱状相的形成;在一定条件下,通过调节聚合物刷体积分数能够实现由水平层状到垂直层状的转变,这对纳米平板制造具有重要的意义;随着平板间距的减小,也获得了从水平层状到垂直层状的转变.本文所提出的调控共聚物结构的新方法以及获得的新颖结构,可对新型功能材料的设计提供一定的指导. 相似文献
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Phase transition of asymmetric diblock copolymer induced by nanorods of different properties 下载免费PDF全文
《中国物理 B》2021,(4)
We investigate the microphase transition of asymmetric diblock copolymer induced by nanorods of different properties using cell dynamics simulation and Brown dynamics.The results show the phase diagram and representative nanostructures of the diblock copolymer nanocomposite.Various structures such as sea-island structure(SI),sea-island and lamellar structure(SI-L),and lamellar structure(L) are observed in the phase diagram.The system undergoes phase transition from SI-L to SI or from L to SI with increasing length of A-like sites for all numbers of nanorods except 10 and 300,and from SI to L with increasing number of nanorods for all lengths of A-like sites.Notably,the polymer system transforms from a tilted layered structure to a parallel lamellar,perpendicular lamellar,and subsequently sea-island structure with increasing length of A-like sites for a rod number of 240.To gain more detailed insight into these structural formation mechanisms,we analyze the evolution kinetics of the system with various lengths of A-like sites of the rods.The pattern evolution and domain growth of the ordered parallel/perpendicular lamellar structure are also investigated.Furthermore,the effects of the wetting strength,rod-rod interaction,polymerization degree,and length of nanorods on the self-assembled structure of asymmetric diblock copolymer/nanorods are studied.Our simulations provide theoretical guidance on the construction of complex-assembled structures and the design of novel functional materials. 相似文献
12.
The phase diagram of symmetric ternary blends of diblock copolymers and homopolymers in thin films was determined as a function of increasing volume fraction of homopolymer (phi(H)) and was similar to that for these materials in the bulk. Blends with compositions in the lamellar region of the diagram (phi(H)< or =0.4) could be directed to assemble into ordered lamellar arrays on chemically striped surfaces if the characteristic blend dimension (L(B)) and the period of the stripes (L(S)) were commensurate such that L(S)=L(B)+/-0.10L(B). Blends with compositions in the microemulsion region of the diagram (phi(H) approximately 0.6) assembled into defect-free lamellar phases on patterned surfaces with L(S)> or =L(B), but formed coexisting lamellar (with period L(S)) and homopolymer-rich phases when L(S)相似文献
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14.
The effect of the median selective solution on the lamellar, spherical and gyroid structures is studied. The self-consistent
field equations of the diblock copolymer solution are solved by using the reciprocal space method. It is shown that the spherical
and gyroid phases have the lowest free energy in the certain range of the solution concentration. Furthermore, the phase diagram
of the ordered structures in the diblock copolymer solution with the median selective solvent is calculated, which is consistent
with the experimental results.
Supported by the National Natural Science Foundation of China (Grant Nos. 10834014, 10674173, and 30770517) and the National
Basic Research Program of China (Grant No. 2009CB930704) 相似文献
15.
The phase diagram for diblock copolymer melts is evaluated from lattice-based Monte Carlo simulations using parallel tempering,
improving upon earlier simulations that used sequential temperature scans. This new approach locates the order-disorder transition
(ODT) far more accurately by the occurrence of a sharp spike in the heat capacity. The present study also performs a more
thorough investigation of finite-size effects, which reveals that the gyroid (G) morphology spontaneously forms in place of
the perforated-lamellar (PL) phase identified in the earlier study. Nevertheless, there still remains a small region where
the PL phase appears to be stable. Interestingly, the lamellar (L) phase next to this region exhibits a small population of
transient perforations, which may explain previous scattering experiments suggesting a modulated-lamellar (ML) phase. 相似文献
16.
A.S. Wunenburger A. Colin T. Colin D. Roux 《The European physical journal. E, Soft matter》2000,2(3):277-283
We study the effects of a dilation on a sheared smectic A phase. Through a linear analysis, we show that undulation may grow
in the direction of the flow and of the vorticity as found in previous works. At higher shear rates, we evidence that the
undulation along the flow disappears whereas it persists in the vorticity direction. We determine the stable or unstable zone
as a function of the shear rate and of the lamellar spacing. This allows us to draw a theoretical shear diagram of the instability.
Finally we compare our results with the orientations found experimentally in a lyotropic lamellar phase under shear. Our diagram
describes qualitatively and quantitatively the transition observed at high shear rate.
Received 18 October 1999 相似文献
17.
We present several ordering mechanisms in diblock copolymers. For temperatures above the order-disorder temperature and in the weak segregation regime, a linear response theory is presented which gives the polymer density in the vicinity of confining flat surfaces. The surfaces are chemically patterned where different regions attract different parts of the copolymer chain. The surface pattern or template is decomposed into its Fourier modes, and the decay of these modes is analyzed. The propagation of the surface pattern into the disordered bulk is given for several types of patterns (e.g. uniform and striped surface). It is further shown that complex morphology can be induced in a thin film even though the bulk is disordered. We next consider lamellar diblock copolymers (low temperature regime) in the presence of a striped surface. It is shown that lamellae acquire a tilt with respect to the surface, if the surface periodicity is larger than the bulk one. The lamellae close to the surface are strongly distorted from their perfect shape. When the surface and lamellar periodicities are equal, the lamellae are perpendicular to the surface. Lastly, the transition from parallel to perpendicular lamellae in a thin film is presented. The transition between the two states depends on the surface separation and strength of surface interactions. We further calculate the phase diagram in the presence of perpendicular electric field favoring perpendicular ordering. In the strong segregation limit we introduce a simple model to calculate the phase diagram of the fully parallel, fully perpendicular and mixed (parallel and perpendicular) states. 相似文献
18.
A mean-field theory for domain structures in random multiblock copolymer melts is developed. We focus on the finite molecular
weight effects resulting in a competition between macroscopic phase separation and microdomain formation in the system. We
identify an essential parameter N
ε controlling the phase behavior of the system, where N is the number of blocks per chain and ε is the composition asymmetry parameter (= the difference between the mean copolymer
composition and its critical value). The phase diagram involving N
ε and the reduced temperature as variables is obtained. The regions of coexistence of two or more phases are identified. We
show that a superstructure formation on cooling is always pre-empted by a macroscopic phase separation of the macroscopically
homogeneous (disordered) system yielding two homogeneous phases: H
0↦H
1 + H
2. The third (lamellar) phase separates on further cooling. Then hexagonal and body-centred-cubic phases take over if N
ε
1. As the Flory interaction parameter χ increases further, the standard transitions BCC↦HEX↦LAM take place.
Received 13 July 2001 相似文献
19.
A two or more chemically different homopolymers attached to a single junction point form a macromolecule of miktoarm star copolymer. The model of such copolymer composed of an arbitrary number of types of homopolymer arms is considered. The lengths distributions of arms are assumed to be arbitrary, provided that average length of an each arm is long enough. The algorithm is suggested to find the contributions into the Landau free energy of this copolymer melt which are necessary to obtain a phase diagram in weak segregation regime. Using this algorithm the contributions are found up to the fourth order. The phase diagrams have been constructed for the simple model of AB2 copolymer melt whose macromolecules consist of polydisperse A-block and two monodisperse B-blocks. 相似文献
20.
Shusharina NP Alexandridis P Linse P Balijepalli S Gruenbauer HJ 《The European physical journal. E, Soft matter》2003,10(1):45-54
A mean-field lattice theory is applied to predict the self-assembly into ordered structures of an ABC triblock copolymer in
selective solvent. More specifically, the composition-temperature phase diagram has been constructed for the system (C)14(PO)12(EO)17/water, where C stands for methylene, PO for propylene oxide and EO for ethylene oxide. The model predicts thermotropic phase
transitions between the ordered hexagonal, lamellar, reverse hexagonal, and reverse cubic phases, as well as the disordered
phase. The thermotropic behavior is a result of the temperature dependence of water interaction with EO- and PO-segments.
The lyotropic effect (caused by changing the solvent concentration) on the formation of different structures has been found
weak. The structure in the ordered phases is described by analyzing the species volume fraction profiles and the end segment
and junction distributions. A “triple-layer” structure has been found for each of the ordered phases, with each layer rich
in C-, PO-, and EO-segments, respectively. The blocks forming the layers are not stretched. The dependence of the domain spacing
on polymer volume fraction and temperature is also considered.
Received 17 April 2002 Published online: 21 January 2003 相似文献