文献类型：期刊文献

中文题名：含烟碱多元系统气-液相平衡的理论预测

英文题名：Theoretical Prediction of Vapor-Liquid Phase Equilibrium for Multicomponent System Containing Nicotine

作者：邓芙蓉[1];季常征[1];牛亚鹏[2];冯晓民[2];孟祥士[2];张孟伟[2];程东旭[2];彭昌军[1]

机构：[1]华东理工大学化学与分子工程学院,上海200237;[2]河南中烟工业有限责任公司技术中心,郑州450016

年份：2024

卷号：50

期号：4

起止页码：517

中文期刊名：华东理工大学学报（自然科学版）

外文期刊名：Journal of East China University of Science and Technology

收录：;Scopus;北大核心:【北大核心2023】；CSCD:【CSCD_E2023_2024】；

基金：河南中烟工业有限责任公司项目(AW202157)。

语种：中文

中文关键词：烟碱;加热卷烟;气-液相平衡;COSMO-SAC;热力学

外文关键词：nicotine;heated tobacco;vapor-liquid equilibrium;COSMO-SAC;thermodynamics

摘要：利用拟导体屏蔽链节活度系数(COSMO-SAC)模型研究了甘油、丙二醇、水及烟碱构成的三元和四元系统的气-液相平衡,研究结果表明,对于甘油-丙二醇-烟碱系统,甘油摩尔分数的增加和温度的降低均有利于烟碱的气化释放。对于甘油-水-烟碱系统,甘油摩尔分数在一定范围内的变化不会明显改变气相组成,但当甘油摩尔分数大于0.9时,温度越低越有利于烟碱的气化释放。对于水-丙二醇-烟碱系统,当水的摩尔分数小于0.3或高于0.7时,温度越低越有利于烟碱的气化释放。对于水-丙二醇-甘油-烟碱系统,液相摩尔分数在较宽范围内的变化都不会明显改变气相组成,即气相组成有一个较宽的平台区。
The aim of this paper is to investigate the phase behavior of glycerol,1,2-propanediol,water,and nicotine in heated cigarettes,and explore the influence of temperature and composition(in mole fractions)on the release of nicotine during vaporization.Conductor-like Screen Model for Segment Activity Coefficient(COSMO-SAC)was employed to study the vapor-liquid phase equilibria of ternary and quaternary systems composed of glycerol,1,2-propanediol,water,and nicotine.For the glycerol-1,2-propanediol-nicotine system,an increase in glycerol mole fraction in the liquid phase promotes the release of nicotine during vaporization.Lower temperatures are more favorable for the vaporization of nicotine.For the glycerol-water-nicotine system,the variation of glycerol composition over a certain range does not significantly change the gas phase composition.Only when the mole fraction of glycerol exceeds 0.9,lower temperatures are more favorable for the vaporization of nicotine.For the water-1,2-propanediol-nicotine system,lower temperatures are more favorable for the vaporization of nicotine when the mole fraction of water is less than 0.3 or greater than 0.7.For the water-1,2-propanediol-glycerol-nicotine system,the change of liquid phase composition over a wide range does not significantly change the gas phase composition,that is,the gas phase composition has a wide platform region.