ABSTRACT

The excess heat capacities, CEP and CEP ijk (calculated from the measured molar heat capacities, Cp data) of binary 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + pyrrolidin-2-one or 1-methylpyrrolidin- 2-one or pyridine (j); pyrrolidin-2-one (i) + pyridine (j) and ternary 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + pyrrolidin-2-one or 1-methylpyrrolidin-2-one (j) + pyridine (k) mixtures have been measured as a function of composition at T = (293.15, 298.15, 303.15 and 308.15) K and 0.1 MPa using micro differential scanning calorimeter. The CEP ijk values for the present ternary mixtures are positive over entire range of composition. The CEP and CEP ijk data have been fitted to Redlich Kister equation to compute binary and ternary adjustable parameters along with their standard deviations. The topology of the constituent molecules (Graph theory) has been utilized to obtain the expressions that describe well the CEP and CEP ijk data of the present mixtures. It has been observed that Graph theory describes well the CEP and CEP ijk data of the binary as well as ternary mixtures.

Compounds

#	Formula	Name
1	C6H11BF4N2	1-ethyl-3-methylimidazolium tetrafluoroborate
2	C4H7NO	2-pyrrolidinone
3	C5H9NO	N-methylpyrrolidone
4	C5H5N	pyridine

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	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	4
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	4
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	4
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	4
POMD	2 1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	80
POMD	3 1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	80
POMD	4 1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	80
POMD	4 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	72
POMD	4 2 1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	144
POMD	4 3 1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	144

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Excess heat capacities of (binary + ternary) mixtures containing [emim][BF4] and organic liquids

Sharma, V. K., Bhagour, S., Solanki, S., Sharma, D.

ABSTRACT