Modeling of density and vapor-liquid equilibrium for alcohol-amine systems with equation of state
Liu Honglai
Abstract
Liu Honglai
Abstract
Considering the association contribution,the equation of state for square-well chain fluid with variable range(SWCF-VR EOS)in a previous work was extended for calculations of density and vapor-liquid equilibrium(VLE)of alcohol-amines.New molecular parameters of 18 alcohol-amines were obtained by fitting saturated vapor pressures and liquid densities at different temperatures.The overall average deviations of saturated vapor pressure and liquid density were only 0.94% and 0.88% respectively.Coupling with a simple mixing rule,the model was further applied to mixtures.The results show that the densities of binary and ternary alcohol-amine mixtures are satisfactorily predicted.Using an adjustable parameter independent of temperature,VLE data of binary alcohol-amine mixtures are well correlated.The model can reproduce phase behavior of multi-component mixtures,indicating that the new equation of state is appropriate for modeling phase behavior of alcohol-amine systems.
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Considering the association contribution,the equation of state for square-well chain fluid with variable range(SWCF-VR EOS)in a previous work was extended for calculations of density and vapor-liquid equilibrium(VLE)of alcohol-amines.New molecular parameters of 18 alcohol-amines were obtained by fitting saturated vapor pressures and liquid densities at different temperatures.The overall average deviations of saturated vapor pressure and liquid density were only 0.94% and 0.88% respectively.Coupling with a simple mixing rule,the model was further applied to mixtures.The results show that the densities of binary and ternary alcohol-amine mixtures are satisfactorily predicted.Using an adjustable parameter independent of temperature,VLE data of binary alcohol-amine mixtures are well correlated.The model can reproduce phase behavior of multi-component mixtures,indicating that the new equation of state is appropriate for modeling phase behavior of alcohol-amine systems.
Key concepts: Thermodynamics, Chemistry, Equation of state, Alcohol, Ternary operation, Amine gas treating, Vapor pressure, Phase (matter)