resumo
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 diffraction were used to resolve the solute solid structure, before and after the solubility studies. For modeling purposes, the NRTL-SAC model, also combined with 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). (C) 2019 Elsevier B.V. All rights reserved.
palavras-chave
CRYSTALLINE NONELECTROLYTE SOLUTES; ETHANOL MIXED-SOLVENTS; ORGANIC-SOLVENTS; MATHEMATICAL CORRELATION; PHENOLIC-COMPOUNDS; THERMOCHEMICAL BEHAVIOR; 8 PURE; DESCRIPTORS; SOLVATION; WATER
categoria
Chemistry; Physics
autores
Vilas-Boas, SM; Vieira, V; Brandao, P; Alves, RS; Coutinho, JAP; Pinho, SP; Ferreira, O
nossos autores
Paula Cristina Ferreira da Silva Brandão
Investigador Auxiliar
Vanessa Vieira
InvestigadorGrupos
G1 - Materiais Porosos e Nanossistemas
G4 - Materiais Renováveis e Economia Circular
G5 - Materiais Biomiméticos, Biológicos e Vivos
agradecimentos
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 - Fundacao para a Ciencia 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).