Theoretical Prediction of Vapor-Liquid Phase Equilibrium for Multicomponent System Containing Nicotine
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.
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