ABSTRACT

The solubility data of thiourea in methanol + ethanol mixtures and methanol + n-propanol mixtures were determined from T = (283.15 to 313.15) K by gravimetric method under atmospheric pressure. Effects of solvent composition and temperature on solubility of thiourea were discussed. Molecular simulation results indicate that solubility of thiourea will be influenced by interaction energy and a quantitative conclusion can be drawn from the modeling result. To extend the applicability of the solubility data, experimental solubility data in two kinds of binary solvent mixtures were correlated by the modified Apelblat equation, k h equation and (NIBS)/Redlich Kister model. It was found that all the three models could satisfactorily correlate the experimental data and the (NIBS)/Redlich Kister model could give better correlation results. Furthermore, thermodynamic properties of dissolving and mixing process of thiourea, including the enthalpy, the Gibbs energy and the entropy, were also calculated and analyzed.

Compounds

#	Formula	Name
1	CH4N2S	thiourea
2	CH4O	methanol
3	C2H6O	ethanol
4	C3H8O	propan-1-ol

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	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1 3 2	Mole fraction - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	77
POMD	1 2 4	Mole fraction - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	77
POMD	1 2	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	7
POMD	1 3	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	7
POMD	1 4	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	7

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and correlation of solubility of thiourea in two solvent mixtures from T = (283.15 to 313.15) K

Wang, Y.[Yanmeng], Yin, Q.[Qiuxiang], Sun, X.[Xiaowei], Bao, Y.[Ying], Gong, J.[Junbo], Hou, B.[Baohong], Wang, Y.[Yongli], Zhang, M.[Meijing], Xie, C.[Chuang], Hao, H.[Hongxun]

ABSTRACT