ABSTRACT

The molar excess enthalpies oHE mP for 2-{(2 aminoethyl)amino}ethanol (AEEA), 3-amino-1-propanol (AP), 2-(methylamino)ethanol (MAE), 1-amino-2-propanol (MIPA), and N-N-dimethylethanolamine (DMEA) in water are reported at three different T = (298.15, 313.15, and 323.15) K and over the entire range of mole fractions. The experimentally measured HE m values are correlated as a function of mole fractions using the Redlich Kister (RK) equation. The molar enthalpies of alkanolamines and water at infinite dilutions are determined from the RK coefficients. The experimentally measured HE m values are modeled using the following solution theory models: NRTL (non-random two liquid), UNIQUAC (UNIversal QUAsi Chemical), and the modified UNIFAC (UNIversal Functional groups Activity Coefficient, (Dortmund)) model.

Compounds

#	Formula	Name
1	C4H11NO2	diethanolamine
2	H2O	water
3	C5H13NO2	N-methyldiethanolamine
4	C4H12N2O	N-(2-aminoethyl)ethanolamine
5	C3H9NO	3-amino-1-propanol
6	C3H9NO	2-(methylamino)ethanol
7	C3H9NO	1-amino-2-propanol
8	C4H11NO	2-(N,N-dimethylamino)ethanol

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 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	13
POMD	3 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	10
POMD	4 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	46
POMD	5 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	33
POMD	6 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 6; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	43
POMD	7 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 7; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	42
POMD	8 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 8; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	36

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Molar excess enthalpy (HEm) for various {alkanolamine (1) + water (2)} systems at T = (298.15, 313.15, and 323.15) K

Mundhwa, M.[Mayur], Henni, A.[Amr]

ABSTRACT