UNIFAC parameter table for prediction of liquid-liquid equilibriums
01 Apr 1981-Industrial & Engineering Chemistry Process Design and Development (American Chemical Society)-Vol. 20, Iss: 2, pp 331-339
About: This article is published in Industrial & Engineering Chemistry Process Design and Development.The article was published on 1981-04-01. It has received 748 citations till now. The article focuses on the topics: PSRK & UNIFAC.
Citations
More filters
TL;DR: This review focuses on the use of linear solvation energy relationships (LSERs) to understand the types and relative strength of the chemical interactions that control retention and selectivity in the various modes of chromatography ranging from gas chromatography to reversed phase and micellar electrokinetic capillary chromatography.
456 citations
TL;DR: The partition coefficient (K(p)) of the natural phenolic antioxidant compounds in the olive fruit between aqueous and olive oil phases was determined and Henry's law fitted very well to the experimental data.
Abstract: The partition coefficient (K(p)) of the natural phenolic antioxidant compounds in the olive fruit between aqueous and olive oil phases was determined. The antioxidants of olive oil are either present in the olive fruit or formed during the olive oil extraction process. The antioxidants impart stability to and determine properties of the oil and are valuable from the nutritional point of view. The olive oil antioxidants are amphiphilic in nature and are more soluble in the water than in the oil phase. Consequently, a large amount of the antioxidants is lost with the wastewater during processing. The determination of antioxidants was performed using HPLC, and the K(p) was estimated to be from as low as 0.0006 for oleuropein to a maximum of 1.5 for 3,4-DHPEA-EA (di-hydroxy-phenyl-ethanol-elenolic acid, oleuropein aglycon). Henry's law fitted very well to the experimental data. The partition coefficients were also estimated by applying the activity coefficients of the antioxidants in the two phases using a predictive group contribution method, the UNIFAC equation. The K(p) values estimated with UNIFAC method were of the same order of magnitude but varied from the experimental values. Nevertheless, this method may be a rough predictive tool for process optimization or design. Because the K(p) values were very low, some changes in the process are recommended in order to achieve a higher concentration of antioxidants in the oil. A temperature increase may lead to increasing the partition coefficient. Also, limiting the quantity of water during oil extraction could be a basis for designing alternative processes for increasing the antioxidant concentration in the olive oil.
304 citations
TL;DR: Group contribution methods for dense fluid (liquid) mixtures are critically reviewed in this paper, where emphasis is placed on common sense rather than on mathematical derivations, and the purpose of the review is to stimulate discussion.
296 citations
TL;DR: A review of the literature that describes subcritical water purely as a solvent for solubilizing HOCs can be found in this paper, where a number of review articles have identified sub-critical water as an effective solvent, catalyst and reactant for hydrolytic conversions and extractions.
281 citations
TL;DR: In this article, the COSMO-SAC model has been revised for a better description of the nonideality of liquid mixtures, and thus more accurate predictions of both vapor-liquid equilibrium (VLE) and liquid liquid equilibrium (LLE).
235 citations