Binary diffusion coefficients for 2,3-dimethylaniline, 2,6-dimethylaniline, 2-methylanisole, 4-methylanisole and 3-nitrotoluene in supercritical carbon dioxide

Abstract The measurement and correlation of the experimental binary diffusion coefficients of 2,3-dimethylaniline, 2,6-dimethylaniline, 2-methylanisole, 4-methylanisole and 3-nitrotoluene in supercritical carbon dioxide is reported. Results were obtained using the Taylor-Aris dispersion technique, at 313, 323, and 333 K, and in a pressure range from 15.0 to 35.0 MPa. The diffusivity experimental data were correlated with temperature, pressure and carbon dioxide density and viscosity. Moreover, the experimental results were compared with the values estimated by several semiempirical equations.

[1]  L. Doraiswamy,et al.  Estimating Liquid Diffusivity , 1967 .

[2]  M. B. King,et al.  Measurement and correlation of binary diffusion coefficients in near critical fluids , 1994 .

[3]  Bin Xu,et al.  Diffusion of water in liquid and supercritical carbon dioxide: An NMR study , 2003 .

[4]  Stephan Kabelac,et al.  Transport coefficients of the Lennard-Jones model fluid. I. Viscosity. , 2004, The Journal of chemical physics.

[5]  E. Macedo,et al.  Diffusion Coefficients of Ethers in Supercritical Carbon Dioxide , 1998 .

[6]  C. F. Curtiss,et al.  Molecular Theory Of Gases And Liquids , 1954 .

[7]  J. V. Oliveira,et al.  Predicting diffusivities in dense fluid mixtures , 1999 .

[8]  Xiaoning Yang,et al.  Diffusion of Chelating Agents in Supercritical CO2 and a Predictive Approach for Diffusion Coefficients , 2001 .

[9]  Stephan Kabelac,et al.  Transport coefficients of the Lennard-Jones model fluid. II Self-diffusion. , 2004, The Journal of chemical physics.

[10]  Carlos M. Silva,et al.  Tracer diffusion coefficients of citral and d-limonene in supercritical carbon dioxide , 2003 .

[11]  Stephan Kabelac,et al.  Transport coefficients of the Lennard-Jones model fluid. III. Bulk viscosity. , 2005, The Journal of chemical physics.

[12]  B. Alder,et al.  Studies in molecular dynamics. XIV. Mass and size dependence of the binary diffusion coefficient , 1974 .

[13]  J. Dymond Corrected Enskog theory and the transport coefficients of liquids , 1974 .

[14]  I. Medina,et al.  Infinite dilution diffusion coefficients: benzene derivatives as solutes in supercritical carbon dioxide , 1993 .

[15]  C. Y. Kong,et al.  Measurements of Binary Diffusion Coefficient and Partition Ratio at Infinite Dilution for Linoleic Acid and Arachidonic Acid in Supercritical Carbon Dioxide , 2003 .

[16]  Chung-Sung Tan,et al.  Measurement of Molecular Diffusion Coefficients in Supercritical Carbon Dioxide Using a Coated Capillary Column , 1995 .

[17]  Alexander J. Marchut,et al.  Theoretical Studies of Energetics and Diffusion of Aromatic Compounds in Supercritical Carbon Dioxide , 2000 .

[18]  Cláudio Dariva,et al.  A kinetic approach for predicting diffusivities in dense fluid mixtures , 1999 .

[19]  Octavio Suárez-Iglesias,et al.  Using supercritical fluid chromatography to determine diffusion coefficients of 1,2-diethylbenzene, 1,4-diethylbenzene, 5-tert-butyl-m-xylene and phenylacetylene in supercritical carbon dioxide. , 2007, Journal of chromatography. A.

[20]  Octavio Suárez-Iglesias,et al.  Limiting Binary Diffusivities of Aniline, Styrene, and Mesitylene in Supercritical Carbon Dioxide , 2007 .

[21]  Chaohong He,et al.  New Equation for Infinite-Dilution Diffusion Coefficients in Supercritical and High-Temperature Liquid Solvents , 1998 .

[22]  P. Sassiat,et al.  Measurement of diffusion coefficients in supercritical carbon dioxide and correlation with the equation of Wilke and Chang , 1987 .

[23]  R. Reid,et al.  Diffusion and mass transfer in supercritical fluids , 1986 .

[24]  I. Medina,et al.  Diffusion coefficients in supercritical fluids: available data and graphical correlations , 1998 .

[25]  C. Y. Kong,et al.  Binary diffusion coefficients and retention factors for γ-linolenic acid and its methyl and ethyl esters in supercritical carbon dioxide , 2006 .

[26]  Octavio Suárez-Iglesias,et al.  Diffusion coefficients of 2-fluoroanisole, 2-bromoanisole, allylbenzene and 1,3-divinylbenzene at infinite dilution in supercritical carbon dioxide , 2007 .

[27]  N. Foster,et al.  Diffusion of fatty acid esters in supercritical carbon dioxide , 1992 .

[28]  Xu Wen,et al.  A New Group Contribution Method for Estimating Critical Properties of Organic Compounds , 2001 .

[29]  R. Reid,et al.  The Properties of Gases and Liquids , 1977 .

[30]  Octavio Suárez-Iglesias,et al.  Diffusion of Benzyl Acetate, 2-Phenylethyl Acetate, 3-Phenylpropyl Acetate, and Dibenzyl Ether in Mixtures of Carbon Dioxide and Ethanol , 2007 .

[31]  N. Wakao,et al.  Measurements of binary diffusion coefficients of C16-C24 unsaturated fatty acid methyl esters in supercritical carbon dioxide , 1991 .

[32]  Chaohong He,et al.  Infinite-dilution diffusion coefficients in supercritical and high-temperature liquid solvents , 1998 .

[33]  S. Olesik Physicochemical properties of enhanced-fluidity liquid solvents. , 2004, Journal of chromatography. A.

[34]  G. Schneider,et al.  Determination of Binary Diffusion Coefficients of Benzene, Phenol, Naphthalene and Caffeine in Supercritical CO2 between 308 and 933 K in the Pressure Range 90 to 160 gar with Supercritical Fluid Chromatography (SFC) , 1982 .

[35]  C. A. Ratcliff,et al.  Diffusion in binary liquid mixtures at infinite dilution , 1968 .

[36]  Y. Shi,et al.  Correlation of Infinite-Dilution Diffusion Coefficients in Supercritical Fluids , 1997 .

[37]  Octavio Suárez-Iglesias,et al.  Application of the corresponding states principle to the diffusion in CO2 , 2007 .

[38]  Neil R. Foster,et al.  Diffusion in Supercritical Fluids , 1991 .

[39]  Chaohong He,et al.  Prediction of binary diffusion coefficients of solutes in supercritical solvents , 1997 .

[40]  D. Chandler Rough hard sphere theory of the self‐diffusion constant for molecular liquids , 1975 .

[41]  A. J. Easteal,et al.  Tracer diffusion in hard-sphere liquids from molecular dynamics simulations , 1990 .

[42]  J. Jonas,et al.  Transport and relaxation of naphthalene in supercritical fluids , 1989 .

[43]  N. Foster,et al.  Diffusion of phenylacetic acid and vanillin in supercritical carbon dioxide , 1992 .

[44]  Byung Chan Eu,et al.  Relation of Tracer Diffusion Coefficient and Solvent Self-Diffusion Coefficient , 2002 .

[45]  E. Macedo,et al.  Viscosity of pure supercritical fluids , 2005 .

[46]  M. Papari Transport properties of carbon dioxide from an isotropic and effective pair potential energy , 2003 .

[47]  A. Akgerman,et al.  Infinite-dilution diffusion coefficients in supercritical fluids , 1997 .

[48]  H. Lüdemann,et al.  Self-diffusion in fluid carbon dioxide at high pressures , 1998 .

[49]  R. C. Weast CRC Handbook of Chemistry and Physics , 1973 .

[50]  K. Stephan,et al.  Viscosity of Dense Fluids , 1979 .

[51]  Y. Arai,et al.  Solubilities and diffusion coefficients of high boiling compounds in supercritical carbon dioxide , 2001 .

[52]  Hongqin Liu,et al.  Predicting the diffusion coefficients in supercritical fluids , 1997 .

[53]  Julio L. Bueno,et al.  On predicting self-diffusion coefficients in fluids , 2008 .

[54]  Hendrik A. Kooijman A modification of the Stokes-Einstein equation for diffusivities in dilute binary mixtures , 2002 .

[55]  Hongqin Liu,et al.  New equations for tracer diffusion coefficients of solutes in supercritical and liquid solvents based on the Lennard-Jones fluid model , 1997 .

[56]  M. T. Tyn,et al.  Diffusion coefficients in dilute binary liquid mixtures , 1975 .

[57]  Yu Zhu,et al.  Prediction of diffusion coefficients for gas, liquid and supercritical fluid: application to pure real fluids and infinite dilute binary solutions based on the simulation of Lennard–Jones fluid , 2002 .

[58]  I. Medina,et al.  Determination of Binary Diffusion Coefficients of Anisole, 2,4-Dimethylphenol, and Nitrobenzene in Supercritical Carbon Dioxide , 2001 .

[59]  F. Tavares,et al.  Role of attractive forces in self-diffusion and mutual diffusion in dense simple fluids and real substances , 2002 .

[60]  I. Medina,et al.  Measurement of diffusion coefficients for 2-nitroanisole, 1,2-dichlorobenzene and tert-butylbenzene in carbon dioxide containing modifiers , 2002 .

[61]  K. Rezaei,et al.  Using supercritical fluid chromatography to determine diffusion coefficients of lipids in supercritical CO2 , 2000 .

[62]  Octavio Suárez-Iglesias,et al.  Molecular diffusion coefficients of phenylmethanol, 1-phenylethanol, 2-phenylethanol, 2-phenyl-1 -propanol, and 3-phenyl-1-propanol in supercritical carbon dioxide , 2008 .

[63]  Carlos M. Silva,et al.  Binary diffusion coefficients of α-pinene and β-pinene in supercritical carbon dioxide , 2004 .

[64]  A. Ponter,et al.  Semi‐empirical formulae for the prediction of diffusion in liquid systems , 1975 .

[65]  C. Y. Kong,et al.  Effects of molecular weight and degree of unsaturation on binary diffusion coefficients for lipids in supercritical carbon dioxide , 2004 .

[66]  K. Pitzer,et al.  Improving equation-of-state accuracy in the critical region; equations for carbon dioxide and neopentane as examples , 1988 .