ABSTRACT

Excess molar enthalpies were measured using a Mettler-Toledo RC1 calorimetric reactor at 25 deg C and 0.1 MPa for the quaternary system which may occur during the hydrolysis of acetic anhydride with ethanol (production of acetic acid and ethyl acetate). A novel formula for the excess molar enthalpies of the quaternary system as a function of the molar composition has been developed. It is mainly based on a Margules-type equation which illustrates the quaternary excess enthalpies by taking into consideration the contributions from the corresponding binary and ternary systems. With no solvent present in the reaction system, the thermal behavior may significantly vary with the extent of the reaction taking place. The effects of the excess enthalpy on the calculation of both the heat of mixing and the reaction enthalpy were tabulated for various extents of the chemical reaction.

Compounds

#	Formula	Name
1	C2H6O	ethanol
2	C4H6O3	ethanoic anhydride
3	C2H4O2	acetic acid
4	C4H8O2	ethyl acetate

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	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	19
POMD	1 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	18
POMD	3 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	19
POMD	3 2 4	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 2; Liquid Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	21
POMD	1 3 4	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 1; Liquid Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	21
POMD	1 3 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 2; Liquid Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	21
POMD	1 2 4	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 2; Liquid Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	21

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

Evaluation of Excess Molar Enthalpies for a Quaternary Mixture System of Acetic Anhydride, Ethanol, Acetic Acid, and Ethyl Acetate

Balland, L.[Laurent], Ben Talouba, I.[Imed], Mouhab, N.[Nordine], Abdelghani, A.[Ahmed]

ABSTRACT