Solvent and temperature effects on the solubility of syringic, vanillic or veratric acids: Experimental, modeling and solid phase studies
| Autor: | João A. P. Coutinho, Paula Brandão, Vanessa Pedrosa Vieira, Rebeca S. Alves, Sérgio M. Vilas-Boas, Olga Ferreira, Simão P. Pinho |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Melting properties
Phenolic acids Analytical chemistry Ethyl acetate 02 engineering and technology NRTL-SAC 010402 general chemistry 01 natural sciences chemistry.chemical_compound Differential scanning calorimetry Phase (matter) Materials Chemistry Vanillic acid Physical and Theoretical Chemistry Solubility Abraham solvation model Spectroscopy Syringic acid 021001 nanoscience & nanotechnology Condensed Matter Physics Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials X-ray diffraction Solvent chemistry Dimethylformamide 0210 nano-technology |
| Zdroj: | Repositório Científico de Acesso Aberto de Portugal Repositório Científico de Acesso Aberto de Portugal (RCAAP) instacron:RCAAP |
| Popis: | The solubility of syringic acid, vanillic acid and veratric acid was measured in pure water and eleven organic solvents (methanol, ethanol, 1-propanol, 2-propanol, 2-butanone, ethyl acetate, acetonitrile, dimethylformamide, 1,2-propanediol, 1,3-propanediol and 1,3-butanediol), at 298.2 K and 313.2 K. Besides the solubility data, the melting temperatures and enthalpies of the solutes were determined by differential scanning calorimetry, while powder and single X-ray diffractionwere used to resolve the solute solid structure, before and after the solubility studies. Formodeling purposes, theNRTL-SACmodel, also combinedwith the Reference Solvent Approach (RSA), and the Abraham solvation model were applied to describe the solid-liquid equilibria of the binary systems. A set of solvents was used to estimate the model parameters and afterwards, solubility predictions were carried out for binary systems not included in the correlation step. Better results were obtained using the Abraham solvation model with average relative deviations (ARD) of 15% for the correlation set and 26% for the predictions, which are more satisfactory than the results found with the NRTL-SAC model (33% for the correlation and 59% for the predictions) or the NRTL-SAC model combined with RSA (30% for the correlation and 59% for the predictions). We acknowledge the support of the project “AIProcMat@N2020 - Advanced Industrial Processes and Materials for a Sustainable Northern Region of Portugal 2020”, with the reference NORTE-01-0145-FEDER- 000006, supported by Norte Portugal Regional Operational Programme (NORTE 2020), under the Portugal 2020 Partnership Agreement, through the European Regional Development Fund (ERDF); Associate Laboratory LSRE-LCM - UID/EQU/50020/2019 - funded by national funds through FCT/MCTES (PIDDAC); UID/CTM/50011/2019 (CICECO), financed by national funds through the FCT/MCTES; and project AllNat - POCI-01- 0145-FEDER-030463 (PTDC/EQU-EPQ/30463/2017), financed by FEDER funds through COMPETE and Portugal2020 and national funds through FCT - Fundação para a Ciência e a Tecnologia. The authors also thank FCT for financial support to S. M. Vilas-Boas grant (SFRH/BD/138149/2018) and V. Vieira grant (SFRH/BD/108487/ 2015). info:eu-repo/semantics/publishedVersion |
| Databáze: | OpenAIRE |
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