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http://hdl.handle.net/10773/37496
Título: | Solid-liquid phase equilibrium of trans-cinnamic acid, p-coumaric acid and ferulic acid in water and organic solvents: experimental and modelling studies |
Autor: | Vilas-Boas, Sérgio M. Alves, Rebeca S. Brandão, Paula Campos, Leila M.A. Coutinho, João A.P. Pinho, Simão P. Ferreira, Olga |
Palavras-chave: | Cinnamic acid derivatives Solubility Solid phase studies NRTL-SAC model Abraham solvation model |
Data: | 15-Out-2020 |
Editora: | Elsevier |
Resumo: | The solubility of the trans isomers of cinnamic acid, p-coumaric acid and ferulic acid was measured in water and seven organic solvents (methanol, ethanol, 1-propanol, 2-propanol, 2-butanone, ethyl acetate and acetonitrile), at 298.2 K and 313.2 K, using the analytical shake-flask technique. The melting temperatures and enthalpies of the solutes were studied by differential scanning calorimetry, while solute solid structures were identified by powder and single X-ray diffraction. The NRTL-SAC model was applied to calculate the solubility of trans-cinnamic acid and trans-ferulic acid in pure solvents. For trans-p-coumaric acid, the NRTL-SAC was combined with the Reference Solvent Approach, as the solute melting properties could not be determined. The global average relative deviations (ARD) were 32% and 41%, in the correlation and prediction stages, respectively. The Abraham solvation model was also applied. The global ARD were 20% for correlation and 29% for predictions, which can be considered very satisfactory results for these semi-predictive models. |
Peer review: | yes |
URI: | http://hdl.handle.net/10773/37496 |
DOI: | 10.1016/j.fluid.2020.112747 |
ISSN: | 0378-3812 |
Aparece nas coleções: | CICECO - Artigos DQ - Artigos |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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Solid-liquid phase equilibrium of trans-cinnamic acid, p-coumaric acid and ferulic.pdf | 1.34 MB | Adobe PDF | Ver/Abrir |
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