Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibria and molecular interaction studies on (naphthols + vanillin) systems

Gupta, P.[Preeti], Agrawal, T.[Tanvi], Das, S. S.[Shiva Saran], Singh, N. B.[Nakshatra Bahadur]
J. Chem. Thermodyn. 2012, 48, 291-299
ABSTRACT
Phase equilibria between (alpha-naphthol + vanillin) and (beta-naphthol + vanillin) systems have been studied by thaw-melt method and the results show the formation of simple eutectic mixtures. Crystallization velocities of components and eutectic mixtures were determined at different stages under cooling. With the help of differential scanning calorimeter (DSC), the enthalpy of fusion of components and eutectic mixtures was determined and from the values excess thermodynamic functions viz., excess Gibbs free energy, excess entropy, excess enthalpy of hypo-, hyper- and eutectic mixtures were calculated. Flexural strength measurements were made in order to understand the non-ideal nature of eutectics. FT-IR spectral studies indicate the formation of hydrogen bond in the eutectic mixture. Anisotropic and isotropic microstructural studies of components, hypo-, hyper- and eutectic mixtures were made. Jackson's roughness parameter was calculated and found to be greater than 2 suggesting the faceted morphology with irregular structures. The overall results have shown that there is a weak molecular interaction between the components in the eutectic mixtures and the (alpha-naphthol + vanillin) eutectic is more stable as compared to the (beta-naphthol + vanillin) eutectic system.
Compounds
# Formula Name
1 C10H8O 1-naphthol
2 C10H8O 2-hydroxynaphthalene
3 C8H8O3 vanillin
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 3
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 1
  • 3
  • Eutectic composition: mole fraction - 1 ; Crystal - 1
  • Crystal - 1
  • Crystal - 3
  • Air at 1 atmosphere
  • Liquid
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS
  • 6
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 6
  • POMD
  • 3
  • 2
  • Eutectic temperature, K ; Crystal - 3
  • Crystal - 3
  • Crystal - 2
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 3
  • 2
  • Eutectic composition: mole fraction - 2 ; Crystal - 3
  • Crystal - 3
  • Crystal - 2
  • Air at 1 atmosphere
  • Liquid
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 3
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS
  • 7
  • POMD
  • 3
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 6