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1110392 
Journal Article 
Estimation of molecular diffusivity in liquid phase systems by the Wilke-Chang equation 
Miyabe, K; Isogai, R 
2011 
Yes 
Journal of Chromatography A
ISSN: 0021-9673
EISSN: 1873-3778 
ELSEVIER SCIENCE BV 
AMSTERDAM 
1218 
38 
6639-6645 
English 
21855880 
WOS:000295432700008 
This study deals with the application of the Wilke-Chang equation to the estimation of molecular diffusivity (D(m)) in liquid phase systems including polar solutes and/or solvents. First, D(m) of benzene in six different organic solvents was experimentally measured by the peak parking method. The value of association coefficient (alpha) was calculated from the D(m) values by assuming that D(m) can be represented by the Wilke-Chang equation. Then, them alpha value was correlated with the solubility parameter (delta) and E(T) of the solvents. Two different curved correlations were observed between alpha and the two physico-chemical parameters. This means that alpha of given solutes and solvents can be obtained from the values of delta and/or E(T). Finally, D(m) was estimated by a modified Wilke-Chang equation, which is derived by considering the aggregation of not only solvent molecules but also solute molecules. Although alpha is necessary for the estimation, it was calculated from delta for various solutes and solvents. The D(m) values estimated were compared with those reported in literature. The mean square deviation between the D(m) values was calculated less than 19% for 71 D(m) data. It was demonstrated that the modified Wilke-Chang equation can be used for estimating D(m) in liquid phase systems containing polar solutes and solvents. (C) 2011 Elsevier B.V. All rights reserved. 
Molecular diffusivity; Wilke-Chang equation; Association coefficient; Solubility parameter; Mass transfer kinetics 
• Methanol (Non-Cancer)
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