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      STUDY OF SOLUBILITY IN SUPERCRITICAL FLUIDS: THERMODYNAMIC CONCEPTS AND MEASUREMENT METHODS - A REVIEW

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          Abstract

          Abstract Due to the importance of supercritical fluid technology (SFT) in different industries, it has been the subject of intense research in recent decades. Solubility is a key concept in SFT. In fact, obtaining knowledge about the theoretical concepts of solubility and related experimental measurement methods can be useful in developing and improving the quality of research in this field. This study reviews the fundamental knowledge of solubility in supercritical fluids and investigates the significant topics in this field, including high-pressure phase behavior, experimental measurement methods, modeling, and molecular simulation of solubility.

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          Most cited references186

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          Critical Lines and Phase Equilibria in Binary Van Der Waals Mixtures

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            Supercritical and near-critical CO2 in green chemical synthesis and processing

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              Prediction of drug solubility from Monte Carlo simulations.

              Monte Carlo statistical mechanics simulations have been carried out for 150 organic solutes in water. Physically significant descriptors such as the solvent-accessible surface area, numbers of hydrogen bonds, and indices for cohesive interactions in solids are correlated with pharmacologically important properties including octanol/water partition coefficient (log P) and aqueous solubility (log S). The regression equation for log S only requires five descriptors to provide a correlation coefficient, r2, of 0.9 and rms error of 0.7 for the 150 solutes. The descriptors can form a basis for structural modifications to guide an analogue's properties into desired ranges.
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                Author and article information

                Contributors
                Role: ND
                Role: ND
                Role: ND
                Journal
                bjce
                Brazilian Journal of Chemical Engineering
                Braz. J. Chem. Eng.
                Brazilian Society of Chemical Engineering (São Paulo, SP, Brazil )
                0104-6632
                1678-4383
                December 2019
                : 36
                : 4
                : 1367-1392
                Affiliations
                [2] Tehran orgnameNuclear Science and Technology Research Institute orgdiv1Material and Nuclear Fuel Research School Iran j_karimi@ 123456alum.sharif.edu
                [1] Semnan Semnan orgnameUniversity of Semnan orgdiv1Faculty of Chemical, Petroleum and Gas Engineering Iran fvaraminian@ 123456semnan.ac.ir
                Article
                S0104-66322019000401367 S0104-6632(19)03600401367
                10.1590/0104-6632.20190364s20170493
                7496e4d0-8535-41aa-9471-d23d61018594

                This work is licensed under a Creative Commons Attribution 4.0 International License.

                History
                : 21 September 2017
                : 22 November 2018
                Page count
                Figures: 0, Tables: 0, Equations: 0, References: 201, Pages: 26
                Product

                SciELO Brazil

                Categories
                Review

                Solubility,Supercritical fluids,High-pressure phase behavior,Experimental measurement methods,Molecular simulation

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