Accuracy of molar solubility prediction from Hansen parameters : an exemplified treatment of the bioantioxidant l-ascorbic acid
- Estimating molar solubility from the Hildebrand-Scott relation employing Hansen solubility parameters (HSP) is widely presumed a valid semi quantitative approach. To test this presumption and to determine quantitatively the inherent accuracy of such a solubility prognosis, l-ascorbic acid (LAA) was treated as an example of a commercially important solute. Analytical calculus and Monte Carlo (MC) simulation were performed for 20 common solvents with total HSP ranging from 14.5 to 33.0 (MPa)0.5 utilizing validated material data. It was found that, due to the uncertainty of the material data used in the calculations, the solubility prediction had a large scattering and, thus, a low precision.
| Author of HS Reutlingen | Lehnert, Ralph; Schilling, Richard |
|---|---|
| URN: | urn:nbn:de:bsz:rt2-opus4-27021 |
| DOI: | https://doi.org/10.3390/app10124266 |
| ISSN: | 2076-3417 |
| Erschienen in: | Applied Sciences |
| Publisher: | MDPI |
| Place of publication: | Basel |
| Document Type: | Journal article |
| Language: | English |
| Publication year: | 2020 |
| Tag: | ascorbic acid Hansen parameter; ascorbic acid solubility; molar solubility estimation |
| Volume: | 10 |
| Issue: | 12 |
| Page Number: | 11 |
| First Page: | 1 |
| Last Page: | 11 |
| Article Number: | 4266 |
| DDC classes: | 660 Technische Chemie |
| Open access?: | Ja |
| Licence (German): |  Creative Commons - CC BY - Namensnennung 4.0 International |
