ABSTRACT

Previous studies have established that the extended coordination model of solvation can satisfactorily account for the variation in the transfer enthalpies of solutes in mixed-solvent systems. The model parameter relating to the solute-induced disruption of the solvent structure shows a marked dependence on the nature of the mixed solvent. In the present paper we report the transfer enthalpies of acetonitrile from water to aqueous methanol, ethanol and dimethylsulphoxide (DMSO) systems. Analysis of these in terms of the extended coordination model confirms both the model s ability to account for the experimental data, and the variability of the structural disruption parameter. The solvation parameters recovered from the analyses indicate that the net effect of acetonitrile on the solvent structure is a breaking of solvent solvent bonds. The extent of bond breaking of the solvent increases from MeOH to EtOH.

Compounds

#	Formula	Name
1	C2H3N	acetonitrile
2	H2O	water
3	C2H6OS	dimethyl sulfoxide
4	CH4O	methanol
5	C2H6O	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	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ISOPERIBOL	1
POMD	3 1	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ISOPERIBOL	1
POMD	4 1	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ISOPERIBOL	1
POMD	5 1	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ISOPERIBOL	1
POMD	3 1 2	Molar enthalpy of solution, kJ/mol ; Liquid	Solvent: Mole fraction - 3; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	12
POMD	4 1 2	Molar enthalpy of solution, kJ/mol ; Liquid	Solvent: Mole fraction - 4; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	12
POMD	5 1 2	Molar enthalpy of solution, kJ/mol ; Liquid	Solvent: Mole fraction - 5; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	12

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Enthalpies of transfer of acetonitrile from water to aqueous methanol, ethanol and dimethylsulphoxide mixtures at 298.15 K

Behbehani, G. R., Ghammamy, S., Waghorne, W. E.[W. Earle]

ABSTRACT