Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

The solid-liquid equilitbrium, excess molar volume and refractive deviation properties of binary systems containing dimethyl carbonate, anisole and phenol

You, S.-H.[Soo-Hyun], Jeong, I.-Y.[In-Yong], Hwang, I.-C.[In-Chan], Park, S.-J.[So-Jin]
Fluid Phase Equilib. 2014, 383, 21-26
ABSTRACT
The solid-liquid equilibrium (SLE), excess molar volume and refractivity deviation values were reported for binary systems consisting of dimethyl carbonate (DMC), anisole and phenol, all three of which are reaction intermediates in the synthesis of polycarbonate (PC). The SLE plots for the binary systems {DMC + anisole}, {DMC + phenol}, {anisole + phenol} at atmospheric pressure displayed a single eutectic point and correlated well with the values calculated using the non-random two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) equations. The excess molar volume (VE) and the deviation in the molar refractivity (delta-R) were calculated using density and refractivity data measured at 323.15K. The calculated VE and delta-R data deviated from ideal behavior in either a negative or a positive direction, depending on the particular binary system. The experimental data correlated well with the curves calculated using the Redlich-Kister equation. In addition, the ternary VE and delta-R data were calculated for the {DMC+ anisole+ phenol} system at 323.15K by using the correlated Redlich-Kister parameters of the respective binary constituents.
Compounds
# Formula Name
1 C7H8O anisole
2 C3H6O3 dimethyl carbonate
3 C6H6O phenol
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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 2
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 2
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 2
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 6
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 11
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 1
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 1
  • 2
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Crystal - 1
  • Crystal - 2
  • UNIQUAC
  • 1
  • POMD
  • 3
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS
  • 9
  • POMD
  • 3
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 7
  • POMD
  • 3
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 3
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 3
  • 2
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Crystal - 3
  • Crystal - 2
  • UNIQUAC
  • 1
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS
  • 11
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 5
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 1
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 1
  • 3
  • Eutectic temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Crystal - 3
  • Crystal - 1
  • UNIQUAC
  • 1