Calculation of Solid Solubility of Complex Molecules in Supercritical Carbon Dioxide using a Solution Model Approach
Resource
Molecular Simulation 29 (12): 749-754
Journal
Molecular Simulation
Journal Volume
29
Journal Issue
12
Pages
749-754
Date Issued
2003
Date
2003
Author(s)
Abstract
Solid solubility of complex molecules in supercritical carbon dioxide was calculated using a solution model approach. These solutes include the biological compounds of antioxidants, steroids, vitamins, and heavy aromatics. The modified AD (m-AD) activity coefficient model proposed in our previous study [Cheng, J.S., Tang, M. and Chen, Y.P. ��Correlation and comparison of the infinite dilution activity coefficient on aqueous mixtures from a modified excess free energy model�� Fluid Phase Equilib. (2002) Submitted for publication] coupled with the Flory-Huggins equation was employed. The molar volume of the solutes in the supercritical phase and the solid�Vfluid interaction parameter were optimally fitted for each solid component. Satisfactory results were obtained from the m-AD model with three or four parameters. The overall accuracy in this study is comparably good to that from the conventional equation of state method or the semi-empirical correlation equation. This result suggests a feasible high-pressure solid solubility calculation with the application of a theoretically based solution model.
SDGs
Type
journal article
File(s)![Thumbnail Image]()
Loading...
Name
31.pdf
Size
97.37 KB
Format
Adobe PDF
Checksum
(MD5):9189927a1e3f3cd6b3843c8ecf468fd8