Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solid liquid equilibria of mixtures containing tert-butanol, m-chlorophenol, and p-chlorophenol and development of adductive crystallization processes

Her, T.-M.[Tze-Min], Lee, L. -[Liang-sun], Hsu, S. C.
Fluid Phase Equilib. 2005, 237, 1-2, 152-161
ABSTRACT
The solid liquid equilibria data of the ternary system consisting of tert-butanol (A), m-chlorophenol (B), and p-chlorophenol (C) and the three constituent binary systems were experimentally studied by means of the solid-disappearance method. The binary system consisting of m-chlorophenol and p-chlorophenol was observed to exhibit one eutectic point. However, the tert-butanol +m-chlorophenol and tert-butanol + pchlorophenol mixtures behave differently, each exhibiting two eutectic points and one congruent melting point; the mole fraction of tert-butanol in the congruent melting complexes, which are represented, respectively, by the formula A2B and A2C, are 0.6602 and 0.6690. All the experimental melting temperature data can be satisfactorily represented by the empirical equations of Ott and Goates. Several ternary mixtures with specified mole ratios of m-chlorophenol to p-chlorophenol (pseudo-binary mixtures) were also studied. They all exhibit two eutectic points and one congruent melting point near the tert-butanol mole fraction of 0.6667. This implies that the mixtures of the congruent melting complexes A2B and A2C were formed during freezing. A ternary phase diagram showing the projections of all eutectic and congruent melting points is prepared. Based on the information contained in this diagram, a conceptually feasible process using tert-butanol as an adductive agent is proposed to separate the eutectic mixture of m-chlorophenol and p-chlorophenol.
Compounds
# Formula Name
1 C4H10O 2-methylpropan-2-ol
2 C6H5ClO 3-chlorophenol
3 C6H5ClO 4-chlorophenol
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
  • VISOBS
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 3
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS:UFactor:6
  • 10
  • POMD
  • 3
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS:UFactor:6
  • 9
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS:UFactor:12
  • 9
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:12
  • 5
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • VISOBS:UFactor:12
  • 6
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS:UFactor:6
  • 4
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • VISOBS:UFactor:6
  • 16
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:6
  • 3
  • POMD
  • 1
  • 3
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Solvent: Amount ratio of component to other component of binary solvent - 2; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • VISOBS:UFactor:12
  • 140