计算机辅助色-波联用同时鉴定聚合物中多种添加剂的检测方法研究

建立了一种质谱、核磁共振谱与高压液相色谱联用鉴定聚合物中多种有机添加剂的新方法。根据经验公式对现有聚合物中可能的有机添加剂进行了计算，收集整理了常用聚合物中有机添加剂的波谱数据制作数据库平台，利用各种有机添加剂的波谱特征吸收和色谱法的高分离性能，设计了聚合物中多种添加剂同时鉴定的计算机程序。检索结果表明，该方法可有效地用于聚合物中各种添加剂的同时鉴定。     

红外吸收光谱法在感光材料研究中的应用

目前,傅里叶变换红外光谱法已成为一种卓有成效的现代仪器分析方法,在有机化合物、高分子聚合物和无机化合物结构组成的分析中是不可或缺的仪器分析手段。本文简述了红外光谱法的基本原理,它对样品的要求与样品的制备以及其在感光材料和印刷版材生产与科研中的应用,列举了应用红外光谱法解决的几个实际问题。     

有机质谱学基础(一)

引言红外分光光度计、核磁共振波谱仪和有机质谱计,当前已成为有机结构分析的有力手段。它们各有所长,可从不同的角度提供有机结构分析的信息。一般,把它们的实验数据进行综合分析,就能判断一个未知有机化合物的结构。据国外报导,用计算机收集红外、核磁、质谱数据,可以推算出一个未知物的化学结构,并可由电视屏幕直接显示出来。近年     

基于时温等效评估常温下PP的VOC释放速率

利用热老化试验箱进行聚丙烯(PP)粒料的高温加速脱挥试验,基于时温等效原理研究PP中总挥发性有机化合物(TVOC)含量随时间和温度的变化情况.结合经验公式非线性拟合PP中TVOC含量随时间变化曲线.结果表明,拟合曲线与试验数据较为吻合.在此基础上,利用Arrhenius方程、经验公式计算并预测常温下PP中VOC完全释放...     

夹层玻璃中间膜(离子聚合物)的表征与性能探究

离子聚合物中间膜具有较强的力学特征,在力学要求较高的结构性幕墙、栏杆、透明栈道等玻璃建筑上具有广泛的应用.通过对离子聚合物中间膜进行力学、光学等相关的物理性能测试,并与PVB中间膜的数据对比,凸显出离子聚合物的力学、光学等性能优势.利用傅立叶红外光谱(FTIR)、扫描电镜与X光谱区分析联用(SEM-EDS)确定离子聚合物中的主要成分,通过有机元素分析仪、物化分析对离子聚合物各组分基团进行定量分析.对不同厂家及实验室自制的离子聚合物中间膜性能进行比较和探究.     

基于知识的有机物性数据库系统

本文概要地介绍了中科院化工冶金所计算机室在化工部科技局和中科院数据库中心支持下完成的“基于知识的有机物性数据库系统KB-OPDS”,对该系统的设计思想、结构及在人工智能方面的应用进行了讨论。KB-OPDS主要包括4个部分:RDB关系库管理的5000余个有机化合物的数据库;有机物性估算系统;通用功能团方法自动处理系统;有机结构信息处理系统。作者利用各种方法对系统中的数据及估算方法进行了审核。     

基于Deltav、Excel和Matlab的DCS仿真系统

提出了基于Deltav、Excel和M atlab的DCS仿真系统,利用M atlab语言编写灵活的S函数实现了DDE通信软件的设计,从而实现TE化工过程模型与Excel的数据链接,再运用OPC技术实现Deltav工控软件与Excel的数据链接,Excel作为M atlab和Deltav的数据库,进行数据交换。     

水性碳纳米管接枝改性环氧树脂的合成

用酸氧化法对多壁碳纳米管(MWNTs)进行羧化处理后引入酰氯基团,利用酰氯基团与环氧酯聚合物中的羟基进行缩聚反应将MWNTs接枝到环氧树脂结构中,合成得到碳纳米管接枝改性的环氧酯聚合物。该聚合物与丙烯酸单体进行自由基聚合,在聚合物中引入羧基,利用羧基与有机胺中和成盐,制得水性碳纳米管接枝改性环氧酯聚合物。对聚合物进行红外光谱和透射电镜分析表明,碳纳米管与环氧酯聚合物进行了接枝反应。     

有机化合物液体等压热容的关联和预测

根据液体等压热容的定义,在Rackett方程的基础上,导出了有机化合物液体等压热容的关联式。利用该模型计算了46种有机物318个数据点的液体等压热容,计算值与实验值的总平均相对偏差为3.92%,计算准确性优于文献方法;该方法适用于各种有机化合物在不同温度下液体等压热容的预测;方法简单方便,利用被估算有机化合物的摩尔质量、临界温度、临界压力、标准沸点、标准熔点、临界压缩因子和偏心因子等易查取的物性数据,不需要物质理想气体等压热容数据就可以直接预测该液体物质在不同温度下的等压热容。     

有机概念图在日用化学工业中的应用 第一讲 有机概念图概述

随着科学技术的进步,发现和合成的有机化合物越来越多,其中不少是日用化学工业的原料,如何准确开发、正确认识以及有效利用它们,这是很重要、很深奥的问题,利用有机概念图可以简而准的解决。有机概念图虽不像精密仪器那样能精确地区别有机化合物的局部差异,但从整体上却能掌握有机化合物的基本性质并能加以利用。有机概     

Synthese,Funktionalisierung und Vernetzung Siliciumorganischer Polymere mit Hilfe von Silyltriflat‐Intermediaten

The design and synthesis of new materials are two key steps in the advancement of technology. One of the most promising approaches of development of new materials that combine advantages of organic polymers with those of inorganic solids is to devise polymers that have a backbone of inorganic atoms to which are attached organic side groups. Among the best developed examples of „ inorganic organic polymers„ are organosilicon polymers. The synthesis of new organosilicon polymers using silyl triflate intermediates is reviewed in this article. Protodephenylation of phenylated polysilanes as well as poly(silylenemethylenes) by triflic acid gave new functionalized compounds 12—25, 27—39 . Network polymers were obtained by reductive coupling of silyl triflates with potassium‐graphite. Novel poly(silylenealkynes) 51—67 and poly(silylenearylenes) 68—91 containing a regular alternating arrangement of silylene groups and organic units were prepared from α, ω‐bis[(trifluoromethyl)sulfonyloxysilyl]‐substituted compounds and dinucleophiles. Some of the polymers are potential organic precursor for ceramic materials. The correlation between structure and thermolytic behaviour is demonstrated on selected examples.     

聚合物还原剂

综述了不同聚合物载体支载的聚合物还原剂的特点，合成方法及其还原各类有机化合物，如烯烃，卤代烃，醛，酮，酰卤，硝基化合物等方面的发展近况。     

Chelating polymers derived from polyvinyl alcohol and cellulose

Hydrophilic chelating polymers have been prepared by the reaction of organic compounds containing both a reactive halogen and a chelating function, with cellulose and, more especially, polyvinyl alcohol or their alkali metal derivatives. Suitable organic compounds used to illustrate the general reaction included: 5-chloromethyl-8-hydroxyquinoline, 5-chloro-8-hydroxyquinoline, ethyl γ-chloroacetoacetate and chloromethyl-kojic acid. Subsequent reaction of the kojic acid-polyvinyl alcohol polymer with diazotised o-arsanilic acid to give a polymer containing the azo-phenylarsonic acid group indicates further scope for these materials. Preliminary tests have shown that the polymers remove metal ions from aqueous solutions. Degradation occurred, however, when the polymers were regenerated with acids to elute adsorbed metal ions.     

油料中的一些降凝剂及技术指标

就油料中的一些降凝剂做了介绍,这些降凝剂包括梳子聚合物、聚氧烯化合物、乙烯/不饱和酯共聚物、极性含氮有机化合物、硫羧基化合物、烷基化芳香化合物。并对它们的技术指标做了说明。     

从聚合物中萃取杂质过程模拟

建立了在萃取 从粒状聚合物中脱除低聚合物过程的数学模型。模型考虑了低聚物在聚合物颗粒中的扩散效应，颗粒和液相的轴向扩散以及界面的平衡关系，模型参数采用Ｍａｒｑｕａｒｄｔ非线性回归方法拟合文献数据求得。数值模拟了液－固萃取传质特性。模型可用于间歇或连续萃取过程的分析和设计。     

Predicting heats of combustion of polymers using an empirical approach

The heats of combustion of 75 pure organic polymers with various chemical classes were used to develop empirical equations for predicting the gross and net heats of combustion of organic polymers. The equations were developed using atomic contribution and multiple linear regression methods. The gross and net heats of combustion per unit weight can be obtained by dividing the gross and net heats of combustion per mole by the molecular weight of the monomer. The average absolute % error for the predictions is 3.9%. In addition, two previously developed empirical equations, which predict the heats of combustion of organosilicon compounds, were used to predict the heats of combustion of silicone polymers. Copyright © 2003 John Wiley & Sons, Ltd.     

Synthesis and characterization of ferroelectric side chain liquid crystal polymers bearing banana-shaped chiral mesogens

A series of ferroelectric liquid crystal polymers having banana-shaped side chain mesogens were synthesized through photo-polymerization of epoxide moiety. 2,5-disubstituted-thiophene sub-unit was used in synthesizing the banana-shaped monomers. These liquid crystal compounds were characterized by NMR, differential scanning calorimetry (DSC) and optical polarized microscopy (POM). Mesomorphism was investigated as a function of spacer units. All the synthesized low molar mass banana-shaped compounds exhibit smectic blue phase, but chiral smectic C phase could be observed only on compounds having longer spacer. The clearing temperature of low molar mass compounds fluctuated a little when spacer length varies. All polymers exhibit cholesteric mesophase and an observable glass transition. These liquid crystalline compounds reveal strong photoluminescence at visible region (λ_max = 475 nm for M9EPX) and have potential use in polarized organic light emitting diode materials.     

Butyl pyrene containing poly(arylene ethynylene)s for highly sensitive and selective sensing of TNT

A series of poly(arylene ethynylene)s (PAEs) containing ^tbutyl pyrene in the main chain were synthesized for nitroaromatic sensors. As control, similar polymers containing unsubstituted pyrene were also synthesized. The sensory properties of the polymers were studied towards various nitroaromatic compounds like trinitrotoluene (TNT), dinitrotoluene (DNT), nitrotoluene (NT), nitrobenzene (NB) and picric acid (PA) in solution as well as vapor state. Interestingly, all the ^tbutyl substituted pyrene containing polymers showed higher sensitivity than the corresponding unsubstituted pyrene containing polymers. Moreover, the polymers showed high sensitivity towards TNT as compared to the other nitroaromatic compounds. The sensitivity of one of the polymer PB was found several folds higher than that of the similar reported polymer containing unsubstituted pyrene ring. In addition, ^tbutyl pyrene containing polymers were found to have improved molecular weight, thermal stability, fluorescence quantum yield, film forming properties and solubility in common organic solvents as compared to the control polymers.     

Growth,morphology, and reinforcement potential of low molecular weight crystals in amorphous polymeric matrices

The technique of in situ crystallization of low molecular weight organic compounds from amorphous polymers was evaluated as a method of fabricating composite materials. Two workable systems, styrene–acrylonitrile copolymer (SAN)–acetanilide and SAN–anthracene, were found and their phase diagrams determined. In both systems kinetic studies revealed that the maximum crystallization rate takes place at large degrees of supercooling and that below these temperatures the mechanism is diffusion-controlled. The temperature-dependent crystal morphologies were characterized with electron microscopy, which showed three distinctly different morphologies for both systems. From dynamic mechanical measurements, it appears that the elastic moduli of organic crystals are about the same as those of organic polymers in the glassy state, and that relatively little reinforcement took place under the particular crystallization conditions employed.     

Synthesis and characterization of coordination polymers of Hg(II) with poly(thiooxamides)

Coordination polymers of Hg(II) with dithiooxamide, poly(ethylene thiooxamide), poly(butane thiooxamide), and poly(hexane thiooxamide) have been synthesized. All coordination polymers are solid compounds insoluble in common organic solvents. Coordination polymers have been characterized by elemental analysis, IR spectra, and thermogravimetric analysis and structures have been proposed leading to coordination of metal through S alone as well as N and S both. Thermal stability of the polymers has also been discussed.