Formulation of a new generic density-based model for modeling solubility of polyphenols in supercritical carbon dioxide and ethanol |
| |
| Affiliation: | 1. Universidad Industrial de Santander, Escuela de Ingeniería Química, Bucaramanga, Santander, Colombia;2. Universidad Industrial de Santander, Centro de Investigación en Biomoléculas, CIBIMOL, Bucaramanga, Santander, Colombia;1. Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela;2. Grupo de Investigación en Química Estructural (GIQUE), Facultad de Ciencias, Escuela de Química, Universidad Industrial de Santander, Apartado aéreo 678, Bucaramanga, Colombia;3. Laboratorio de Análisis Químico y Estructura de Materiales, Departamento de Física, Universidad de Los Andes, Mérida 5101, Venezuela;1. CEMOS, Escuela de Ingenierías Electrica, Electrónica y de Telecomunicaciones, Universidad Industrial de Santander, Bucaramanga 680002, Colombia;2. GOTS, Escuela de Física, Universidad Industrial de Santander, Bucaramanga 680002, Colombia |
| |
| Abstract: | 
The aim of this work is to present a first approach in formulating a generic model for polyphenols solubility in ternary mixtures (polyphenol + ethanol + sc-CO2). Solubility data of six polyphenols were collected from the literature, and six different groups of parameters were proposed for the new generic model in order to evaluate their effects and find the best set for each polyphenol. Likewise, four dimensional groups of factors were proposed to evaluate the effect of dimensions on solubility data calculation. The results show that the originally formulated model and its modifications are particularly useful in calculating polyphenols solubility data; for instance, when resveratrol solubility data was fitted, the AARD decreased from a value of 38.52 to 14.03, upon changing from a simple to a complex model. Additionally, this generic model with a specific modification can estimate solubility maxima occurring in the ternary resveratrol + ethanol + sc-CO2 system. |
| |
| Keywords: | Solubility Carbon dioxide Ethanol Polyphenols Mathematical modeling Phase equilibria |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
