Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental measurements and thermodynamic modeling of Coumarin-7 solid solubility in supercritical carbon dioxide: Production of nanoparticles via RESS method

Sodeifian, Gholamhossein, Ardestani, Nedasadat Saadati, Sajadian, Seyed Ali, Panah, Hamidreza Soltani
Fluid Phase Equilib. 2019, 483, 122-143
ABSTRACT
For the first time, solubility of coumarin-7 dye (C7) in supercritical carbon dioxide (SC-CO2) was measured in temperature and pressure ranges of (308-338) K and (90-330) bar, respectively, for binary (C7-CO2) and ternary systems (C7-CO2-methanol). Mole fractions were determined to range from 0.415 * 10-5 to 1.009 * 10-5 and 0.1089 * 10-4 to 1.2007 * 10-4 for binary and ternary systems, respectively. The solubility data was correlated using two thermodynamic models, namely quadrupolar cubic plus association theory (qCPA) and perturbed-chain polar statistical associating fluid theory (PCP-SAFT). Continuing with the research, the rapid expansion of supercritical solution (RESS) process was used to produce coumarine-7 nanoparticles. Effects of temperature, pressure, nozzle diameter, and spraying distance on the particle size were investigated. For this purpose, unprocessed and processed particles were characterized by FTIR, XRD, DSC, SEM, and DLS. A significant decline (21.37 less than= x50 less than= 224.13 nm) was observed in the final particle size, as compared to the original one (40.35 mum).
Compounds
# Formula Name
1 C20H19N3O2 3-(2-benzimidazolyl)-7-(diethylamino)coumarin
2 CH4O methanol
3 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
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; 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 - 1
  • UV-vis spectroscopy
  • 20
  • POMD
  • 1
  • 3
  • 2
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Solvent: Amount ratio of component to other component of binary solvent - 2; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • UV-vis spectroscopy
  • 20