Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

High Pressure Phase Equilibria of the Related Substances in the Limonene Oxidation in Supercritical CO2

Corazza, M. L.[Marcos L.], Filho, L. C.[Lucio C.], Antunes, O. A. C.[Octavio A. C.], Dariva, C.[Claudio]
J. Chem. Eng. Data 2003, 48, 2, 354-358
ABSTRACT
The use of supercritical CO2 (SCCO2) as an alternative solvent in reactional systems has received increased attention nowadays because of its favorable transport properties that can accelerate mass-transfer limited reactions and also because of imposed environmental restrictions. The comprehension of the phase behavior of the reaction mixture is of relevance to determine selectivity and yield of such reactions at high pressures. In this context, the main objective of this work was to investigate the high-pressure phase equilibrium behavior of binary systems formed by CO2 with the reactant (limonene), the most common solvents (acetonitrile and dichloromethane), and catalysts and the main products (carvone and 1,2-limoneneoxide) of the limonene catalytic oxidation reactions. The experimental data were measured using the static synthetic method with a variable-volume view cell in the temperature range from (313 to 343) K. Experimental data obtained were corrected modeled with the Peng-Robinson equation of state with the classical quadratic mixing rules.
Compounds
# Formula Name
1 C10H14O d-carvone
2 C10H16O 1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane
3 CH2Cl2 dichloromethane
4 C2H3N acetonitrile
5 CO2 carbon dioxide
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
  • 4
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 19
  • POMD
  • 4
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 5
  • POMD
  • 3
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 23
  • POMD
  • 3
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 4
  • POMD
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 19
  • POMD
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 17
  • POMD
  • 5
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 13
  • POMD
  • 5
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 10