Prediction of Vapor-Liquid Equilibrium for Organic Sulfur Compound-Hydrocarbon With UNIFAC Model
Fuwei Lu, Hongling Lv, Ren Jinchen, Kong Zi Ying, Yang Jinrong
Abstract
Fuwei Lu, Hongling Lv, Ren Jinchen, Kong Zi Ying, Yang Jinrong
Abstract
The vapor-liquid equilibrium of sulfur compound-hydrocarbon is one of the basic theories of pervaporation desulphurization in gasoline.Modified UNIFAC model(UNIFAC-r~(1/6)) was employed to predict the vapor-liquid equilibrium of sulfur compounds and hydrocarbons.Compared with existed UNIFAC models,the result calculated by UNIFAC-r~(1/6) model was more accurate, especially for the systems of diethyl sulfide-2,2,4-trimethylpentane and thiophene-w-hexane.It is indicated that the UNIFAC-r~(1/6) model can be used to predict the vapor-liquid phase equilibrium of sulfur compounds and hydrocarbons in gasoline.
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The vapor-liquid equilibrium of sulfur compound-hydrocarbon is one of the basic theories of pervaporation desulphurization in gasoline.Modified UNIFAC model(UNIFAC-r~(1/6)) was employed to predict the vapor-liquid equilibrium of sulfur compounds and hydrocarbons.Compared with existed UNIFAC models,the result calculated by UNIFAC-r~(1/6) model was more accurate, especially for the systems of diethyl sulfide-2,2,4-trimethylpentane and thiophene-w-hexane.It is indicated that the UNIFAC-r~(1/6) model can be used to predict the vapor-liquid phase equilibrium of sulfur compounds and hydrocarbons in gasoline.
Key concepts: UNIFAC, Chemistry, Thiophene, Gasoline, Activity coefficient, Thermodynamics, Hydrocarbon mixtures, Hydrocarbon