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Predictive equations for self‐diffusion in liquids: A different approach
Author(s) -
Dullien F. A. L.
Publication year - 1972
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690180113
Subject(s) - thermodynamics , diffusion , statistical physics , kinetic theory , chemistry , function (biology) , einstein relation , relation (database) , simple (philosophy) , lennard jones potential , self diffusion , molecular dynamics , physics , computational chemistry , computer science , metric (unit) , philosophy , operations management , self service , epistemology , evolutionary biology , economics , biology , computer security , database
Simple relationships have been obtained which can be used to predict self‐diffusion coefficients of liquids with an average error of ±4%. In addition to the customary parameters, one of these equations contains the critical volume\documentclass{article}\pagestyle{empty}\begin{document}$$\frac{{\mu VD}}{{RT}} = 0.124 \times 10^{ - 16} V_{c^{2/3} }$$\end{document}whereas the other uses Lennard‐Jones potential parameters\documentclass{article}\pagestyle{empty}\begin{document}$$\frac{{\mu VD}}{{RT}} = 0.129 \times 10^{ - 16} \sigma ^2 (\Omega D\Omega V)_{T_c }^{1/2}$$\end{document}Both relations were derived by using a general relation between transport coefficients of pure fluids and a molecular‐kinetic‐model of liquids. No use has been made either of the Stokes‐Einstein relation or the absolute rate theory. By applying the same relation between transport coefficients of pure fluids to gases, an equation has been obtained which can be used to calculate consistently molecular diameters in gases as a function of temperature, using Lennard‐Jones potential parameters.