Thermodynamics Research Center / ThermoML | Thermochimica Acta

Equilibrium solubility of pure and mixed 3,5-dinitrobenzoic acid and 3-nitrobenzoic acid in supercritical carbon dioxide

Tang, Z.[Zhao], Jin, J.-s.[Jun-su], Yu, X.-y.[Xiang-yun], Zhang, Z.-t.[Ze-ting], Liu, H.-t.[Hong-tao]
Thermochim. Acta 2011, 517, 1-2, 105-114
ABSTRACT
The solid solubility of pure 3,5-dinitrobenzoic acid (3,5-DNBA) and 3-nitrobenzoic acid (m- NBA) and their equal-weight mixture in supercritical carbon dioxide (SCCO2) was measured using a flow-type apparatus at 308, 318, and 328 K and in the pressure range of 10.0-21.0 MPa. The solubility enhancement SE of mixed 3,5-DNBA and m-NBA in the ternary system has been observed. The mixture separation factor i and the separation efficiency HE were investigated. A modified Kumar-Johnston (KJ) model was proposed for correlating the solubility of solid compounds in SCCO2. The experimental solubility data of pure and mixed solutes in SCCO2 were successful to be correlated by Chrastil model, modified Adachi-Lu model, K-J model and new proposed model. Solubility data from 23 different solid compounds were taken from literature. The accuracy of the proposed model was evaluated by correlating 12 binary systems, 13 ternary systems, and 1 quaternary system. The modified K-J model satisfactorily correlated the experimental results for the solubility of all these compounds in SCCO2 within 5.11% AARD.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C7H4N2O6 3,5-dinitrobenzoic acid
3 C7H5NO4 3-nitrobenzoic acid
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
  • Mass density, kg/m3 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • UNKNOWN
  • 15
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • dynamic flow
  • 15
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 3
  • dynamic flow
  • 15
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • Crystal - 3
  • dynamic flow
  • 15
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 3 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 3
  • Crystal - 2
  • dynamic flow
  • 15