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Isotherms and thermodynamics by linear and non-linear regression analysis for the sorption of methylene blue onto activated carbon: comparison of various error functions.

Kumar KV, Porkodi K, Rocha F

Department of Chemical and Biological Engineering, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, s/n 4200-465 Porto, Portugal. vasanth_vit@yahoo.com

A comparison of linear and non-linear regression method in selecting the optimum isotherm was made to the experimental equilibrium data of methylene blue sorption by activated carbon. The r2 was used to select the best fit linear theoretical isotherm. In the case of non-linear regression method, six error functions, namely coefficient of determination (r2), hybrid fractional error function (HYBRID), Marquardt's percent standard deviation (MPSD), average relative error (ARE), sum of the errors squared (ERRSQ) and sum of the absolute errors (EABS) were used to predict the parameters involved in the two and three parameter isotherms and also to predict the optimum isotherm. For two parameter isotherm, MPSD was found to be the best error function in minimizing the error distribution between the experimental equilibrium data and predicted isotherms. In the case of three parameter isotherm, r2 was found to be the best error function to minimize the error distribution structure between experimental equilibrium data and theoretical isotherms. The present study showed that the size of the error function alone is not a deciding factor to choose the optimum isotherm. In addition to the size of error function, the theory behind the predicted isotherm should be verified with the help of experimental data while selecting the optimum isotherm. A coefficient of non-determination, K2 was explained and was found to be very useful in identifying the best error function while selecting the optimum isotherm.

Published 5 February 2008 in J Hazard Mater, 151(2): 794-804.
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