利用混料设计和香农信息熵优化香烟主流烟气萃取溶液的配比  

Using mixture design and Shannon entropy optimization in mainstream of cigarette smoke extraction solution ratio

作　　者：李忠[1] 黄静[1] 张志敏[2,3] 郑宜报[2,3] 郭生云[1] 梁逸曾[2,3] 

机构地区：[1]云南烟草科学研究院,云南昆明650106 [2]中南大学化学化工学院,湖南长沙410083 [3]长沙科硕仪器有限公司,湖南长沙410083

出　　处：《计算机与应用化学》2013年第5期570-574,共5页Computers and Applied Chemistry

基　　金：云南中烟工业有限责任公司(2012JC03)"烟用植物香料功能特性的HRMS表征研究"

摘　　要：采用混料设计原理进行试验设计,结合香农信息熵作为色谱指纹图谱信息含量的评价指标,对寻找香烟烟气中主要成分萃取溶液的最佳配比进行了系统研究。以甲醇、乙醇和二氯甲烷为主要萃取溶液,通过自动进样将提取液进行气相色谱正交加速飞行时间质谱(GC/oa-TOF-MS)分析,结果表明:(1)二氯甲烷与乙醇的混合溶液提取效率最好,其色谱图信息明显高于以二氯甲烷与甲醇为混合溶液的所得色谱;(2)在二氯甲烷和乙醇的混合溶剂中,随着乙醇浓度增加,各物质出峰顺序基本一致,但其谱峰个数、峰宽及峰高变化明显;(3)当二氯甲烷和乙醇比率为0.8:0.2时,多个谱峰明显高于其他组之相同谱峰,并出现多个其他组没有的特征峰,得到谱峰分离度最好。In order to extract the major constituent of cigarette smoke and find the best ratio of extraction solvent, we designed an experiment by using mixture design, in the same time, the Shannon entropy is used for evaluating the information of chromatograms. The methanol, ethanol and dichloromethane are considered as extraction solvent and the extract is analyzed using GC/oa-TOF-MS through automatic sampling. The results show that： （1） extraction efficiency of methanol and dichloromethane is much higher than those of ethanol and dichloromethane; （2） In the mixture solvent of ethanol and dichloromethane, the order of each peaks is consistent with the increase in the concentration of ethanol, however, the numbers of peaks and the height of peak change obviously （3） when the ratio of the dichloromethane and ethanol is 0.8：0.2, resolution of chromatograms is much better.

关 键 词：混料设计 香农信息熵 高分辨飞行时间质谱 烟气萃取 

分 类 号：TQ015.9[化学工程] O6-39[理学—化学]