Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility determination and correlation of cyromazine in sixteen pure solvents and mixing properties of solutions

Zhang, Pengshuai, Zhao, Rui, Zhang, Chi, Li, Tao, Ren, Baozeng
Fluid Phase Equilib. 2018, 475, 77-88
ABSTRACT
The solubility of cyromazine in the pure solvents (methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, water, acetone, 2-propanol, isobutanol, 3-methyl-1-butanol and 2-butanol) at 283.15 K-323.15 K, cyromazine in the pure solvents (acetic acid and acrylic acid) at 293.15 K-333.15 K and cyromazine in the pure solvent of propanoic acid at 278.15 K-318.15 K. were measured by a laser dynamic method under atmospheric pressure. The experimental results show that the mole fraction solubility of cyromazine in the sixteen pure solvents decreased according to the following order: acrylic acid greater than acetic acid greater than propanoic acid greater than methanol greater than ethanol approx.= water greater than 1-propanol greater than 1-butanol greater than1-pentanol greater than1-hexanol greater than 1-heptanol greater than 3-methyl-1-butanol approx.= (2-propanol, 2-butanol, isobutanol and acetone). In order to facilitate industrial application (to improve the purity of cyromazine by crystallization in industry) and other research studies, the experimental solubility data are correlated with the five thermodynamic models: modified Apelblat equation, lambdah equation, non-random two liquid (NRTL) model equation, Wilson model equation and van't Hoff equation. Moreover, the mixing Gibbs energy (deltamixG), mixing entropy (deltamixS), mixing enthalpy (deltamixH), activity coefficient (gamma1(infinity)) at infinitesimal concentration and reduced excess enthalpy (H1E,(infinity)) were obtained and the mixing process of cyromazine in the selected solvents are evaluated based on the Wilson model. The relatively close values of gamma1(infinity) and gamma1 indicated that the cyromazine -selected solvents solution systems are not highly non-ideal.
Compounds
# Formula Name
1 C6H10N6 cyromazine
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C5H12O pentan-1-ol
7 C6H14O hexan-1-ol
8 C7H16O heptan-1-ol
9 C2H4O2 acetic acid
10 C3H6O2 propanoic acid
11 C3H4O2 propenoic acid
12 C3H8O propan-2-ol
13 C4H10O 2-methyl-1-propanol
14 C5H12O 3-methylbutan-1-ol
15 C4H10O butan-2-ol
16 C3H6O acetone
17 H2O water
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
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 14
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 15
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 16
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9
  • POMD
  • 1
  • 17
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 9