运用空腔效应选择煤衍生油提酚萃取剂  

Selection of extraction agent for phenolic from coal derivative oil based on cavity effect

作　　者：赵渊 

机构地区：[1]煤炭科学技术研究院有限公司煤化工分院,北京100013 [2]国家能源煤炭高效利用与节能减排技术装备重点实验室,北京100013

出　　处：《洁净煤技术》2016年第5期70-74,共5页Clean Coal Technology

基　　金："十二五"国家科技支撑计划资助项目(2012BAA04B04)

摘　　要：为缩小煤衍生油提酚萃取剂的筛选范围,减少试验次数,对富含酚类化合物的典型煤衍生油进行单体酚分析及中性油组分的定性分析,运用空腔效应和键能数据相结合的方法在众多有机溶剂中进行煤衍生油提酚萃取剂的筛选,通过计算得出萃取过程中消耗的能量,缩小筛选范围。结果表明,典型煤衍生油酚油馏分中酚类化合物主要以苯酚和甲酚等低级酚为主,中性油主要以茚和萘等单环或双环芳烃为主。烷烃和芳香烃类的惰性溶剂萃取时消耗能量-2~1 k J/mol,不适合作为煤衍生油提酚萃取剂。而醇类、羧酸类、醚类、酮类、胺类等与酚类化合物分子间存在氢键的溶剂萃取时消耗能量-80~20 k J/mol,初步筛选适合作为煤衍生油提酚萃取剂。醇类和羧酸类等分子内存在氢键的溶剂比醚类、酮类和胺类等分子间只存在范德华键的溶剂在萃取过程中需消耗更多的能量。In order to narrow the scope of extraction agent for phenolic from coal derivative oil and reduce the number of the tests,the free phenol and neutral oil components in typical coal derivative oil were analyzed. The extraction agents were screened based on cavity effect and enthalpies.The consumed energy was calculated during extraction which helped to narrow the scope.The results showed that,phenol and cresol were the main phenolic compounds,and indene and naphthalene were the main neutral oil compounds in typical coal derivative oil.The inert extraction agent for alkane and aromatic hydrocarbon were not usable due to the high energy consumption-2 to 1 k J / mol.On the other hand,the solvents including alcohols,carboxylic acids,ethers,ketones and amine etc,were suitable for extraction,because they could form hydrogen bond with phenol molecule and consume lower energy-80 to 20 k J / mol in the extraction process. The solvent such as alcohols and carboxylic acids etc,which could form hydrogen bond within their molecules,consumed higher energy in the processing of extracting phenolic compound than the solvents of ethers,ketones and amine etc.among which only the intramolecular van der walls bond existed.

关 键 词：空腔理论 煤衍生油 酚类化合物 氢键 范德华键 

分 类 号：TQ529[化学工程—煤化学工程]