ABSTRACT

In this work the study of the phase equilibrium (experimental and modeled) of three binary mixtures formed by n-hexane and a branched chlorobutane (2-chlorobutane, 1-chloro-2-methylpropane, or 2-chloro-2-methylpropane) is presented. New and consistent experimental vapor liquid equilibrium data at isothermal conditions T = (288.15, 298.15, and 308.15) K have been obtained and correlated using the Wilson equation. In addition, two group contribution models, modified-UNIFAC (universal functional activity coefficient) and VTPR (volume-translated Peng Robinson), have been used to predict the vapor liquid equilibrium of the mixtures. The agreement between experimental results and predicted ones is not satisfactory.

Compounds

#	Formula	Name
1	C6H14	hexane
2	C4H9Cl	2-chlorobutane
3	C4H9Cl	1-chloro-2-methylpropane
4	C4H9Cl	2-chloro-2-methylpropane

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Phase	Method	#Points
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	2 1	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	45
POMD	2 1	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid Temperature, K; Liquid	Gas Liquid	Density calibration data	45
POMD	1 3	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	51
POMD	1 3	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid Temperature, K; Liquid	Gas Liquid	Density calibration data	51
POMD	1 4	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	39
POMD	1 4	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid Temperature, K; Liquid	Gas Liquid	Density calibration data	39

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions

Anton, V.[Victor], Lopez, M. C., Giner, B.[Beatriz], Lafuente, C.[Carlos]

ABSTRACT