Korean Journal of Chemical Engineering, Vol.26, No.2, 349-353, March, 2009
Prediction of the surface tension of binary systems based on the partial least squares method
E-mail:
Abstract.To predict the surface tension of binary liquid systems, an empirical model is proposed using the partial least squares (PLS) based on the multivariate statistical analysis method. Required parameters for the PLS method to predict the surface tension of binary systems are composed of the thermophysical properties of only pure substances such as critical temperature, critical pressure, critical volume, molar volume, viscosity and vapor pressure for input data block (X) and the reported experimental surface tension data for output data block (Y). The data set for the experimental surface tension of binary liquid systems is divided into the training set for regression and the test set for predicting. An average relative error (%) results of regression and prediction indicate that the PLS method can be a useful tool for predicting the surface tension of liquid binary systems.
- Miller CA, Neogi P, Interfacial phenomena: equilibrium and dynamic effects, Marcel Dekker, Inc., New York (1985)
- Lykema J, Fleer GJ, Kleijn JM, Leermakers FAM, Norde W, Van Vliet T, Fundamentals of interface and colloid science, volume III: Liquid-fluid interfaces, Academic Press (2000)
- Geladi P, Kowalski BR, Analytica Chemica Acta., 185, 1 (1986)
- Rolo LI, Caco AI, Queimada AJ, Marrucho IM, Coutinho JAP, J. Chem. Eng. Data, 47, 1442 (2002)
- Kahl H, Wadewitz T, Winkelmann J, J. Chem. Eng. Data, 48, 1500 (2003)
- Ramirez-Verduzco LF, Romero-Martinez A, Trejo A, Fluid Phase Equilib., 246(1-2), 119 (2006)
- Suzuki T, Ohtaguchi K, Koide K, Comput. Chem. Eng., 20(2), 161 (1996)
- Kim SY, Lee B, Chung CB, Choi SH, Journal of the Korean Institute for Gas, 10, 29 (2006)
- Aguil-Hernandez J, Hernandez I, Trejo A, International Journal of Thermophysics, 16, 45 (1995)
- Kahl H, Wadewitz T, Winkelmann J, J. Chem. Eng. Data, 48, 580 (2003)
- Queimada AJ, Marrucho IM, Coutinho JAP, Fluid Phase Equilibria, 183, 229 (2001)
- Bastien P, Vinzi VE, Tenehaus M, Computational Statistics & Data Analysis, 48, 17 (2005)
- Burnham AJ, MacGregor JF, Viveros R, Chemometrics and Intelligent Laboratory Systems, 48, 167 (1999)
- Wold S, Trygg J, Berglund A, Antti H, Chemometrics and Intelligent Laboratory Systems, 58, 131 (2001)