ABSTRACT

The study reports a DSC investigation of solid liquid equilibria in three binary mixtures of paracetamol, namely with caffeine, ascorbic acid and citric acid. All these systems reveal simple eutectic behavior and eutectic temperatures and temperatures of liquidus were determined. Further, assessed eutectic and liquidus temperatures together with data for pure components were used for evaluation of parameters of the Redlich Kister equation for the excess Gibbs energy of binary melts. Finally, binary T x phase diagrams of the above mentioned systems were calculated using the FactSage software.

Compounds

#	Formula	Name
1	C8H9NO2	N-acetyl-p-aminophenol
2	C8H10N4O2	caffeine
3	C6H8O6	L-ascorbic acid
4	C6H8O7	citric acid

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	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	4	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2 1	Eutectic temperature, K ; Liquid			Liquid Crystal - 2 Crystal - 1 Air at 1 atmosphere	DTA	1
POMD	2 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	DTA	9
POMD	2 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	DTA	3
POMD	3 1	Eutectic temperature, K ; Liquid			Liquid Crystal - 3 Crystal - 1 Air at 1 atmosphere	DTA	1
POMD	3 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	DTA	7
POMD	3 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	DTA	2
POMD	4 1	Eutectic temperature, K ; Liquid			Liquid Crystal - 4 Crystal - 1 Air at 1 atmosphere	DTA	1
POMD	4 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	DTA	5
POMD	4 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	DTA	2

Thermodynamics Research Center / ThermoML | Thermochimica Acta

DSC study and phase diagrams calculation of binary systems of paracetamol

Klimova, K., Leitner, J.

ABSTRACT