ABSTRACT

Excess molar volume VE, speed of sound u, isentropic compressibility js and excess isentropic compressibility jEs data for binary mixtures of 1-n-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) or 1-n-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) in methanol and acetonitrile as function of composition under atmospheric pressure at T = (298.15 to 318.15) K have been used to test applicability of Prigogine Flory Patterson (PFP) theory. In the case of [BMIM][PF6] in methanol and acetonitrile mixtures, data have been reported previously. Interaction parameters have been calculated from VE values for all studied systems. The PFP theory is capable of reproducing the main features of the experimental VE, u, js and jEs values by using a fitted binary interaction parameter. An analysis of each of three contributions viz. interactional, free volume and P* to VE at equimolar concentration was applied for investigation of solute solvent interaction and structural features of each components in the studied mixtures.

Compounds

#	Formula	Name
1	CH4O	methanol
2	C2H3N	acetonitrile
3	C8H15BF4N2	1-butyl-3-methylimidazolium tetrafluoroborate

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	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	FPINT::UFactor:16	4
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB::UFactor:16	5
POMD	2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	FPINT::UFactor:16	5
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB::UFactor:16	5
POMD	3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	FPINT:UFactor:16	5
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:16	5
POMD	1 3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	FPINT:UFactor:16	45
POMD	1 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:16	50
POMD	2 3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	FPINT:UFactor:16	50
POMD	2 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:16	50

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Application of Prigogine Flory Patterson theory to excess molar volume and speed of sound of 1-n-butyl-3-methylimidazolium hexafluorophosphate or 1-n-butyl-3-methylimidazolium tetrafluoroborate in methanol and acetonitrile

Zafarani-Moattar, M. T.[Mohammed Taghi], Shekaari, H.[Hemayat]

ABSTRACT