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Synthesis of Functional Phenolic Resins and Analysis of Their Formation Reaction by Computer

功能酚醛树脂的合成及其生成反应的计算机分析

基本信息

批准号：
62550668
负责人：
ISHIDA Shinichiro
金额：
$ 1.15万
依托单位：
KANAZAWA UNIVERSITY
依托单位国家：
日本
项目类别：
Grant-in-Aid for General Scientific Research (C)
财政年份：
1987
资助国家：
日本
起止时间：
1987 至 1988
项目状态：
已结题

项目摘要

The synthesis, the reaction mechanisms and the solution properties of the phenolic resins were studied and the following results were obtained.1. The synthetic method of calixarene, the cyclic phenolic oligomer, in high yield and in high selectivity were established. By the esterification and the etherification and by the bonding into acrylic resin and epoxy resin, calixarene became widely applicable. The host-guest interaction of calixarene for organic molecules and the structure of their clathrate complexes were discussed.2. The formation reaction of the phenolic resin in early stage is so complex that some elemental reactions had to be considered. Since it is impossible to obtain the rate of each elemental reaction by usual organic technique, our computer simulation method was successfully applied.3. The phenolic resins whose molecular structures were definite were prepared to discuss the molecular conformation in solution. At first, temperatures for some phenolic resin-solvent systems were determined from phase equilibrium measurements, and then the molecular conformation in a good solvent and in a slovent were discussed. It was known that the molecules of the phenolic resins shrink considerably because of the contribution of the intramolecular hydrogen bonding between phenolic hydroxyl groups and the branching, and therefore, acetylated o-cresol resin which has not any phenolic hydroxyl groups and any branches behave as an unperturbed chain in condition.

本文对酚醛树脂的合成、反应机理和溶液性质进行了研究，得到以下结果.建立了高收率、高选择性合成环状酚类齐聚物杯芳烃的方法。杯芳烃通过酯化、醚化反应，与丙烯酸树脂、环氧树脂键合，得到了广泛的应用。讨论了杯芳烃与有机分子的主客体相互作用及其笼形配合物的结构.酚醛树脂的早期形成反应非常复杂，必须考虑一些元素反应。由于用常规的有机技术无法得到各元素反应的速率，我们的计算机模拟方法得到了成功的应用.制备了分子结构确定的酚醛树脂，讨论了其在溶液中的分子构象。首先通过相平衡测定了几种酚醛树脂-溶剂体系的温度，然后讨论了它们在良溶剂和溶剂中的分子构象。已知酚醛树脂的分子由于酚羟基和支链之间的分子内氢键的贡献而显著收缩，因此，不具有任何酚羟基和任何支链的乙酰化邻甲酚树脂在条件下表现为未扰动的链。