Solubility of selected esters in supercritical carbon dioxide (original) (raw)
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a b s t r a c t 3-Acetylpyridine (methyl 3-pyridyl ketone) is one of the important compounds to impart flavor and fragrance in various food products. In this work, the solubility data of 3-acetylpyridine in supercritical carbon dioxide (SC-CO 2 ) were experimentally measured at several temperatures (313.15 K, 323.15 K, 333.15 K, and 343.15 K) and pressures from 10 MPa to 26 MPa under static mode. The experimental solubilities over the measurement range were correlated using Chrastil and Del Valle and Aguilera density-dependent models while phase equilibrium behavior of the studied system was interpreted by Peng-Robinson equation of state (PR-EoS) incorporated with quadratic and Stryjek-Vera mixing rules. The agreement between the model predictions and experimental solubilities was assessed in respect to root-mean-square deviation (RMSD) and consistency of physical meaning of model parameters. Concerning phase equilibria of the studied supercritical system, PR-EoS incorporated with quadratic mixing rule was superior to PR-EoS incorporated with Stryjek-Vera mixing rule and capable to describe the dependency of adjustable binary interaction parameters with temperature.
Prediction of the Solubility of Cholesterol and its Esters in Supercritical Carbon Dioxide
Chemical Engineering & Technology, 2006
The ability to predict the solubility of solids in supercritical fluids is important in many applications, including the food and pharmaceutical industries, chemical processing, and separations. In the present work, the solubility of cholesterol and its esters in supercritical carbon dioxide are investigated by applying equations of state. The equations of state used are: (a) the modified Peng-Robinson equation of state (Gasem et al.), and (b) the modified Peng-Robinson equation of state (Boston and Mathias). These equations of state have an exponential alpha function and it is found that they give better results than those resulting from the Peng-Robinson equation of state which has a linear alpha function. The interaction parameters are also obtained for the systems studied and the percentage of average absolute relative deviation (%AARD) is displayed for each calculation.
Solubility of solid and liquid mixtures in supercritical carbon dioxide
Industrial & Engineering Chemistry Process Design and Development, 1985
Solubility data for mixtures of naphthalene wlth phenanthrene, phenol, and biphenyl in supercritical carbon dioxide were obtained. The equilibrium solubilities were measured in a semicontinuous flow apparatus. Experiments were conducted at 308 and 318 K isotherms, over a pressure range of 5 to 28 MPa. Selectivity of carbon dioxide to dissolve these heavy components preferentially is discussed as a function of pressure and extent of solubliity.
Journal of the Serbian Chemical Society, 2022
The supercritical extraction process is a technique that has increasingly been applied in various industries in recent years. Solubility determination in the supercritical region is the key feature for this process. However, high expenses and time consuming experiments for this task obligates the need for process modeling. In this study, a thermodynamic model is proposed to correlate the solubility of solid hydrocarbons, namely, 1-hexadecanol, 1-octadecanol, anthracene, benzoin, fluorene, hexamethylbenzene, mandelic acid, naphthalene, palmitic acid, phenanthrene, propyl 4-hydroxybenzoate, pyrene and stearic acid in supercritical conditions, using Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state with one-parameter van der Waals (vdW1) and two-parameters (vdW2) and covolume dependent (CVD) mixing rules. For the above combination of equations of state and mixing rules, binary interaction parameters were determined, utilizing the differential evolution optimization strategy. The validity of the model was assessed by comparing the experimental solubility data with the results obtained from thermodynamic model based on average absolute relative deviation (AARD). An empirical correlation was proposed for the correlation of the solid solubilities in supercritical CO 2. For each compound, the constants of this equation were obtained in such a manner to correlate the solubility at different temperatures and pressures.
The co-solubility of 2-ethylhexanoic acid and some liquid alcohols in supercritical carbon dioxide
Fluid Phase Equilibria, 2005
The co-solubility in supercritical carbon dioxide of 1-butanol, 1-pentanol, 2-ethyl-1-hexanol, or 1-decanol in the presence of 2-ethylhexanoic acid in the pressure range of 100-180 bar and at 313 or 323 K was measured. The solubility of these alcohols in the presence of 2-ethylhexanoic acid is lower than in the systems alcohol + CO 2 and remains nearly constant in the pressure range of 120-180 bar, with the exception of 1-decanol. The lower selectivities in the ternary systems are explained by strong intermolecular hydrogen bonding between alcohol molecules and 2-ethylhexanoic acid molecules. The FT-IR spectra of mixtures of alcohols and 2-ethylhexanoic acid at a 1:1 mole ratio in the liquid CCl 4 confirmed this conclusion.
The Solubility of Organic Compounds in Supercritical CO2
Zeitschrift für Naturforschung A, 2005
A simple liquid solution model is proposed to describe the effect of solvent-solute interactions on the solubility of nonpolar and slightly polar substances in supercritical solvents. Treating the system as an ideal solution, the effect of pressure on the solubility is zero or nearly zero, as it is governed by the difference in molar volume of the pure supercooled liquid solute and the pure solid solute, and this may be nearly zero. Deviations from ideal behavior are given by activity coefficients of the Margules type with the interaction parameter w interpreted as interchange energy as in the lattice theory. The hypothesis is put forward that the interchange energy is of the same form as a function proposed by Liptay and others to describe the effect of the solvent on the wavelength of the absorption maximum of the solute dissolved in the solvent. The function consists of a radius of interaction a and a function g(ε ) of the dielectric constant ε of the solvent, treated as a contin...
Solubility of pharmaceutical compounds in supercritical carbon dioxide
The Journal of Supercritical Fluids, 2012
The solubility of pharmaceutical solid compounds in supercritical carbon dioxide is of great importance in a wide range of applications that include: development of drug delivery systems, powder processing, and precipitation/crystallization processes.
AIChE Journal, 2010
Chrastil (1982) established that the solubility of a substance in a supercritical fluid can be correlated with the density of the pure supercritical gas. Recently, the solubility of supercritical fluids in different organic liquids was successfully correlated as a function solely of the supercritical fluid density, since we demonstrated that the supercritical fluid density also defines the solubility of the gas in the liquid phase. In this work, the solubility of supercritical carbon dioxide in high molecular weight substances, such as high molecular weight paraffins, alcohols, fatty acids, fatty acid methyl and ethyl esters, has been correlated and constants provided. More than 20 binary systems comprising around 1000 solubility data points were correlated, obtaining regression coefficients greater than 0.96 and confirming the goodness of the densitydependent equation previously reported.