OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD

This study proposes the use of a numerical calculation method for optimizing non-linear physico-chemical models based on the Gauss-Newton algorithm. This method can be applicable to the Wagner-Traud model used to determine the parameters of corrosion and to adsorption isotherm models, like those of...

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Autores principales:	BARBATO RAVERA,SALVADOR, ALVAREZ CHAVEZ,MIGUEL
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2005
Materias:	Gauss-Newton algorithm isotherm of Langmuir and Langmuir-Freundlich Wagner-Traud equation corrosion current Tafel slopes free energy of adsorption
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072005000400016
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spelling	oai:scielo:S0717-970720050004000162006-04-19OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHODBARBATO RAVERA,SALVADORALVAREZ CHAVEZ,MIGUEL Gauss-Newton algorithm isotherm of Langmuir and Langmuir-Freundlich Wagner-Traud equation corrosion current Tafel slopes free energy of adsorption This study proposes the use of a numerical calculation method for optimizing non-linear physico-chemical models based on the Gauss-Newton algorithm. This method can be applicable to the Wagner-Traud model used to determine the parameters of corrosion and to adsorption isotherm models, like those of Langmuir and Langmuir-Freundlich, to determine the free energy of adsorption. This method in present work was applicated to experimental data of polarization of the iron electrode in medium of sulfuric acid 0.5 M and experimental values of adsorption of 3-Mercaptopropyltrimethoxisilane on copper surface. For the first case (polarization) the results showed with the proposed method was obtained smaller relative errors than the relative errors obtained by the Polynomial method and the computational method of Betacrunch. In the second case, the results showed that the adsorption parameters agree with the model of isotherm of Langmuir-Freundlich, obtaining a free energy of adsorption of 40 kJ/molinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.50 n.4 20052005-12-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072005000400016en10.4067/S0717-97072005000400016
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	Gauss-Newton algorithm isotherm of Langmuir and Langmuir-Freundlich Wagner-Traud equation corrosion current Tafel slopes free energy of adsorption
spellingShingle	Gauss-Newton algorithm isotherm of Langmuir and Langmuir-Freundlich Wagner-Traud equation corrosion current Tafel slopes free energy of adsorption BARBATO RAVERA,SALVADOR ALVAREZ CHAVEZ,MIGUEL OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD
description	This study proposes the use of a numerical calculation method for optimizing non-linear physico-chemical models based on the Gauss-Newton algorithm. This method can be applicable to the Wagner-Traud model used to determine the parameters of corrosion and to adsorption isotherm models, like those of Langmuir and Langmuir-Freundlich, to determine the free energy of adsorption. This method in present work was applicated to experimental data of polarization of the iron electrode in medium of sulfuric acid 0.5 M and experimental values of adsorption of 3-Mercaptopropyltrimethoxisilane on copper surface. For the first case (polarization) the results showed with the proposed method was obtained smaller relative errors than the relative errors obtained by the Polynomial method and the computational method of Betacrunch. In the second case, the results showed that the adsorption parameters agree with the model of isotherm of Langmuir-Freundlich, obtaining a free energy of adsorption of 40 kJ/mol
author	BARBATO RAVERA,SALVADOR ALVAREZ CHAVEZ,MIGUEL
author_facet	BARBATO RAVERA,SALVADOR ALVAREZ CHAVEZ,MIGUEL
author_sort	BARBATO RAVERA,SALVADOR
title	OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD
title_short	OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD
title_full	OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD
title_fullStr	OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD
title_full_unstemmed	OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD
title_sort	optimization of physico-chemical models using the gauss-newton method
publisher	Sociedad Chilena de Química
publishDate	2005
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072005000400016
work_keys_str_mv	AT barbatoraverasalvador optimizationofphysicochemicalmodelsusingthegaussnewtonmethod AT alvarezchavezmiguel optimizationofphysicochemicalmodelsusingthegaussnewtonmethod
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OPTIMIZATION OF PHYSICO-CHEMICAL MODELS USING THE GAUSS-NEWTON METHOD

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