ABSTRACT

CO2 solubility in the solutions of three types of tertiary diamines, N,N,N',N'-tetramethylethylenediamine, N,N,N',N'-tetramethyl-1,3-diaminopropane, and N,N,N',N'-tetramethyl-1,6-diaminohexane, was measured using vapor liquid equilibrium equipment at temperatures from (313 to 393) K and pressures from (10 to 500) kPa. For these tertiary diamines, the CO2 solubility was calculated based on a simplified chemical equilibrium model. It was observed that alkyl chain length between two amines has an important role in CO2 solubility. To clarify this role, we also performed quantum mechanical calculations using the density functional theory and a continuum solvation model.

Compounds

#	Formula	Name
1	C6H16N2	N,N,N',N'-tetramethyl-1,2-diaminoethane
2	C7H18N2	N,N,N',N'-tetramethyl-1,3-propanediamine
3	C10H24N2	N,N,N',N'-tetramethyl-1,6-hexanediamine
4	CO2	carbon dioxide
5	H2O	water

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	1 4 5	Mass fraction - 4 ; Liquid	Temperature, K; Liquid Pressure, kPa - 4; Gas	Solvent: Mass fraction - 1; Liquid	Liquid Gas	total organic carbon analyzer	18
POMD	2 4 5	Mass fraction - 4 ; Liquid	Temperature, K; Liquid Pressure, kPa - 4; Gas	Solvent: Mass fraction - 2; Liquid	Liquid Gas	total organic carbon analyzer	18
POMD	3 4 5	Mass fraction - 4 ; Liquid	Temperature, K; Liquid Pressure, kPa - 4; Gas	Solvent: Mass fraction - 3; Liquid	Liquid Gas	total organic carbon analyzer	18

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

CO2 Solubility Measurements and Modeling for Tertiary Diamines

Machida, H.[Hiroshi], Yamada, H.[Hidetaka], Fujioka, Y.[Yuichi], Yamamoto, S.[Shin]

ABSTRACT