Diffusion of Benzyl Acetate, 2-Phenylethyl Acetate, 3-Phenylpropyl Acetate, and Dibenzyl Ether in Mixtures of Carbon Dioxide and Ethanol

Abstract

Diffusion coefficients of four solutes at infinite dilution (benzyl acetate, 2-phenylethyl acetate, 3-phenylpropyl acetate, and dibenzyl ether) were measured in the system CO 2 + ethanol from 313.16 to 333.16 K and pressures between 15 and 35 MPa over the full concentration range of the CO 2 + ethanol mixture. The diffusional behavior in the mixed solvent was compared with the estimation of seven simple predictive equations, Le Blanc, Wilke-Chang, Holmes-Olander-Wilke, Tang-Himmelblau (two formulas), Perkins-Geankoplis, and Leffler-Cullinam, observing that the first two give errors between 17 and 30% and that deviations lower than 11% are only obtained with the expressions of Tang-Himmelblau. Nevertheless, as none of the studied equations considers the self-association of ethanol nor complex formation between solute and alcohol molecules, the model of Lusis-Ratcliff and Mohan-Srnivasan was extended to a ternary liquid-supercritical system with the diffusing component dilute, obtaining average absolute deviations lower than 4.6% for the diffusivities of the four solutes. Nevertheless, the extension of this model is correlative (it needs one adjustable parameter for each solute), not predictive.

Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide

“…Knowledge of properties like solubility or diffusion coefficient in supercritical carbon dioxide is essential for evaluating the feasibility of supercritical separation processes and for establishing optimum conditions of operation. The data available on diffusivity are limited, but recent research has increased the database for binary diffusion coefficients and has made it possible to explore their influence on solute diffusivities. − Furthermore, good predictive and correlation methods for diffusion coefficients in supercritical carbon dioxide are desirable.…”

“…The data available on diffusivity are limited, but recent research has increased the database for binary diffusion coefficients and has made it possible to explore their influence on solute diffusivities. [1][2][3][4][5][6][7][8][9][10][11][12] Furthermore, good predictive and correlation methods for diffusion coefficients in supercritical carbon dioxide are desirable.…”

Modeling Thermophysical Properties of Carbon Dioxide: Performance Comparison and Assessment

“…During the period of 1954–2018, the relationship between the thermophysical parameters (density, viscosity, and thermal conductivity of sub‐, trans‐, and supercritical CO 2 ) and the temperature/pressure has been comprehensively investigated using different experimental methods and technologies 11–33, as listed in Supporting Information Tab. S1.…”

Correlation of Infinite-Dilution Diffusion Coefficients in Supercritical Fluids

“…As presented in Table 1, we collected the experimental data of infinite-dilution diffusion coefficients in supercritical fluids available in the literature, including 153 binary systems and 1968 data points, over the solvent reduced temperature range of 1.00-1.78, the solvent reduced density range of 0.21-2.34, the solute molar mass range of 58.08-885.40 g/mol, and the solute ambient-temperature density range of 0.63-2.04 g/cm 3 16 allylbenzene, 9 aniline, 17 benzaldehyde, 15 benzene, 13-15,18-24 benzoic acid, 5,16 benzyl acetate, 25 benzyl ether, 15 benzylacetone, 26 2-bromoanisole, 9 bromobenzene, 2,6 2-butanone, 15 (C4:0; C8:0; C10:0; C14:0; C16:0; C18:0; C22:0; C22:6 a ) ethyl ester, 27 (C14:1; C18:2; C20:1; C20:5; C22:1; C22:6 a ) methyl ester, 20,27,28 caffeine, 29,30 chlorobenzene, 2,6 chloroform, 15 chrysene, 13 cis-jasmone, 20 cycloheptanone, 31 cyclononanone, 31 cyclopentanone, 31 dibenzyl ether, 25 1,2-dichlorobenzene, 32 dichloromethane, 15 1,2-diethylbenzene, 33 1,4-diethylbenzene, 33 diethyl ether, 15,34 diisopropyl ether, 34 2,3-dimethylaniline, 35 2,6-dimethylaniline, 35 1,4-dioxane, 15 1,3-divinylbenzene, 9 ethyl acetate, 15,29 ethyl benzoate, 26 ethylbenzene, 15,19 2-ethyltoluene, 36 3-ethyltoluene, 36 4-ethyltoluene, 36 eugenol, 26 2-fluoroanisole, 9 fluorobenzene, 6 glycerol trioleate, 5 3-heptanone, 31 hexachlorobenzene, 37 indole, 20 iodobenzene, 2,6 isopropylbenzene, 15,19 limonene, 15,20 m-cresol, 22 m-xylene, 2,15 mesitylene, 2,13,15,17,18 2-methylanisole, 35 4-methylanisole, 35 n-butylbenzene, 7 n-decane, 14 n-dodecane, 14 n-heptane, 14 n-hexane, 14 n-nonane, 14 n-octane, 14 n-pentane, 14 n-pentylbenzene, 7 n-propylbenzene, 15,18,19 n-tetradecane, 14 n-undecane, 14 naphthalene, 5,13,20,24,30,37-41 2-nitroanisole, 32 nitrobenzene, 2 3-nitrotoluene, 35 5-nonanone, 31 o-xylene, 2,15 1-octene, 15 oleic acid, 5 p-xylene, 2,15 3-pentanone, 31 phenanthrene, 13,16,37 phenol, 29 2-phenyl-1-propanol, 8 3-phenyl-1-propanol, …”