Predicting phase equilibrium of aqueous sugar solutions and industrial juices using COSMO-SAC
dc.contributor.author | Paese, Lucas Tosin | pt_BR |
dc.contributor.author | Spengler, Rafaela Luísa | pt_BR |
dc.contributor.author | Soares, Rafael de Pelegrini | pt_BR |
dc.contributor.author | Staudt, Paula Bettio | pt_BR |
dc.date.accessioned | 2021-01-08T04:07:15Z | pt_BR |
dc.date.issued | 2020 | pt_BR |
dc.identifier.issn | 0260-8774 | pt_BR |
dc.identifier.uri | http://hdl.handle.net/10183/217158 | pt_BR |
dc.description.abstract | COSMO-SAC model was used to predict bubble point pressure, bubble point temperature, water activity, freezing point depression and solubility of sugars in aqueous solutions. COSMO-SAC is based on quantum chemistry computations and has a high predictive character, not requiring a specific parameter calibration for each application. For most systems studied, the results obtained were close to experimental data, with relative mean errors varying from 0.1% to 6.4% for vapor–liquid equilibrium. Solubility results with COSMO-SAC presented the same tendency observed in experimental data, but with higher deviations, probably due to the fact that the loss of crystalline structure in sugars is a kinetic process more than a thermodynamic melting, and does not occur at a single temperature with a constant enthalpy value. COSMO-SAC model was also used to predict industrial juices water activity, bubble point temperature, and freezing point depression. Very low deviations from experimental data were observed for COSMO-SAC calculations, similar to those found for simpler sugar solutions. | en |
dc.format.mimetype | application/pdf | pt_BR |
dc.language.iso | eng | pt_BR |
dc.relation.ispartof | Journal of food engineering [recurso eletrônico]. [Oxford, England]. Vol. 274 (June 2020), Art. 109836, 10 p. | pt_BR |
dc.rights | Open Access | en |
dc.subject | Açúcar | pt_BR |
dc.subject | COSMO-SAC | en |
dc.subject | Sugar | en |
dc.subject | Soluções aquosas | pt_BR |
dc.subject | Aqueous solution | en |
dc.subject | Suco | pt_BR |
dc.subject | Industrial juices | en |
dc.title | Predicting phase equilibrium of aqueous sugar solutions and industrial juices using COSMO-SAC | pt_BR |
dc.type | Artigo de periódico | pt_BR |
dc.identifier.nrb | 001115096 | pt_BR |
dc.type.origin | Estrangeiro | pt_BR |
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