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Structure Formation in Soft Material System : Structure Formation of Hydrocarbon Chains

软材料系统的结构形成：碳氢链的结构形成

基本信息

批准号：
14540378
负责人：
NOZAKI Koji
金额：
$ 2.37万
依托单位：
Yamaguchi University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
2002
资助国家：
日本
起止时间：
2002 至 2004
项目状态：
已结题

项目摘要

Structure formations of hydrocarbon molecules, which are considered to play an important role in the structure formation in soft material systems, have been investigated by means of experimental methods and computer simulations. We mainly focus on n-alkane thin film system, characteristic high-temperature "rotator phase" of bulk n-alkane crystals, bulk n-alkanethiol ciystals, polypropylene crystals, and some chain molecular model system. The major results in these studies are as follows. 1. In chain molecular thin film system, typical two molecular orientation states, "normal orientation", in which the molecular chain axes are normal to the substrate surface, and "parallel orientation", in which the molecular axes are parallel to the substrate surface, are commonly observed. The evaporation condition dependence of the molecular orientation has been investigated systematically. When the evaporation rate is slow and/or the substrate temperature is high, the normal orientation state tends … More to appear. The normal orientation is considered to be most stable state in n-alkane thin film on substrates used here. The strong substrate dependence, which is caused by the kinetics during the deposition, is also confirmed. 2. In the rotator phase of n-alkanes, the results of the x-ray diffuse scattering study shows that the hydrocarbon chains make two kinds of fluctuations, the rotational motion around the chain axes and the translational motion along the axes, and they have short-range correlations each other. 3. In n-alkanethiol system, the complicated polymorphism, which is cased by the weak SH-SH interaction at the end of hydrocarbon chain, is observed. 4. In isotactic polypropylene, which is 3/1 helical structure as most stable conformation, the crystallization of γ phase has been investigated. It is interesting that the chains crystallize with crossing their chain axes. 5. The mechanism of the formation of the ordered structure in the rigid rod-like chain model system has been revealed by computer simulation. Less

烃类分子的结构形成被认为在软物质系统的结构形成中起着重要的作用，通过实验方法和计算机模拟研究了烃类分子的结构形成。主要研究了正构烷烃薄膜体系、正构烷烃块体晶体的特征高温“旋转相”、正构烷烃乙氧基化物块体晶体、聚丙烯块体晶体以及一些链状分子模型体系。这些研究的主要结果如下。1.在链状分子薄膜系统中，通常观察到两种典型的分子取向状态：分子链轴垂直于衬底表面的“正常取向”和分子轴平行于衬底表面的“平行取向”。系统地研究了蒸发条件对分子取向的影响。当蒸发速率慢和/或衬底温度高时， ...更多信息出现。正构烷烃薄膜在所用衬底上的取向被认为是最稳定的状态。强衬底依赖性，这是由沉积过程中的动力学，也被证实。2. X射线漫散射研究表明，在正构烷烃的旋转相中，烃链发生了两种涨落，即绕链轴的旋转运动和沿链轴的沿着平移运动，它们之间存在短程相关。3.在正烷基硫醇体系中，由于烃链末端的SH-SH相互作用较弱，形成了复杂的多晶型现象。4.研究了以3/1螺旋结构为最稳定构象的等规聚丙烯中γ相的结晶行为。有趣的是，链结晶与交叉的链轴。5.通过计算机模拟，揭示了刚性棒状链模型体系有序结构形成的机理。少