ABSTRACT

Henry's law constant data of carbon dioxide and of oxygen in liquid cyclohexanol are determined at temperatures between (303 and 392) K by means of a precise experimental high-pressure view-cell technique with a synthetic method. Furthermore, molecular simulations are carried out with a molecular mixture model, based on the modified Lorentz-Berthelot combination rule that contains one binary interaction parameter which is adjusted to one experimental Henry's law constant for each binary mixture. The molecular model yields good results for the Henry's law constant over the entire temperature range.

Compounds

#	Formula	Name
1	O2	oxygen
2	CO2	carbon dioxide
3	C6H12O	cyclohexanol

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	Constraint	Phase	Method	#Points
POMD	3 1	Henry's Law constant (mole fraction scale), kPa - 1 ; Liquid	Temperature, K; Liquid	Mole fraction - 1; Liquid	Liquid Gas	gravimetric method	3
POMD	3 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid		Liquid Gas	Closed cell (Static) method	18
POMD	3 2	Henry's Law constant (mole fraction scale), kPa - 2 ; Liquid	Temperature, K; Liquid	Mole fraction - 2; Liquid	Liquid Gas	gravimetric method	4
POMD	3 2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid		Liquid Gas	Closed cell (Static) method	45

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Gas solubility of carbon dioxide and of oxygen in cyclohexanol by experiment and molecular simulation

Merker, T., Vrabec, J., Hasse, H.

ABSTRACT