Ultrasonic characterization of aqueous solutions with varying sugar and ethanol content using multivariate regression methods

Krause, Daniel; Schöck, Thomas; Hussein, Mohamed Ahmed; Becker, Thomas

doi:10.1002/cem.1384

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Title:: Ultrasonic characterization of aqueous solutions with varying sugar and ethanol content using multivariate regression methods
Document type:: Zeitschriftenaufsatz
Author(s):: Krause, Daniel; Schöck, Thomas; Hussein, Mohamed Ahmed; Becker, Thomas
Abstract:: This paper presents a multivariate regression method for simultaneous detection of sugar (sucrose as a sugar equivalent) and ethanol concentrations in aqueous solutions via temperature-dependent ultrasonic velocity. Thus, several samples of different combined concentration values were exposed to a temperature spectrum ranging from 2 to 30°C to investigate the temperature dependence of ultrasonic velocity. Model calibration was performed in order to predict the concentrations of interest. With results of proceeded experiments, the equations for calculation of unknown concentrations were carried out using polynomial regression revealing two equations with functional dependence of concentrations on each other. Further, side effects or systematic errors are still included in this model. To avoid such problems as well as to increase the accuracy with respect to the absolute errors in determining unknown probes, multivariate regression methods such as partial least squares (PLS) were tested and compared to the results obtained by polynomial regression. The accuracy achieved with chemometric models on average was three times higher. In direct comparison, the values of the error for the prediction of sucrose concentration were on average around 0.4 g/100 g in the regression model with polynomial background (RMPA) and around 0.12 g/100 g in the PLS model, and for ethanol concentration 0.13 and 0.04 g/100 g, respectively. Furthermore, calculations of the concentrations are possible without knowing the concentrations of the other solute. Copyright © 2011 John Wiley & Sons, Ltd.
Keywords:: PCR PLS ultrasonic velocity
Journal title:: Journal of Chemometrics
Year:: 2011
Journal volume:: 25
Journal issue:: 4
Pages contribution:: 216-223
Fulltext / DOI:: doi:10.1002/cem.1384
WWW:: http://dx.doi.org/10.1002/cem.1384
Print-ISSN:: 1099-128X
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mediaTUM Gesamtbestand Einrichtungen Schools TUM School of Life Sciences Departments Life Science Engineering Lehrstuhl für Brau- und Getränketechnologie (Prof. Becker)Reviewed Papers 2011

mediaTUM Gesamtbestand Hochschulbibliographie 2011 Fakultäten Wissenschaftszentrum Weihenstephan Lehrstuhl für Brau- und Getränketechnologie (Prof. Becker)