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Abstract:

The use of chemometric techniques, full factorial and Doehlert experimental designs, multivariate analysis by MANOVA (=multiple-way analysis of the variance), and artificial neural networks (ANNs) for the photocatalytic reaction of ethylenediaminetetraacetic acid (EDTA) over TiO2 in aqueous solution is described. Based on the previous knowledge of the photocatalytic system, variables such as EDTA concentration, photocatalyst concentration, pH, and irradiation time were chosen to build a set of experiments for the analysis. By means of MANOVA, the statistical significance of the individual variables and the inspection of interactions between them were analyzed. By the use of ANNs, correlation plots among variables may help to build a semiempirical modeling for understanding and prediction the behavior of the system, optimizing parameters valuable for further technological applications.

Registro:

Documento: Artículo
Título:Semiempirical modeling with application of artificial neural networks for the photocatalytic reaction of ethylenediaminetetraacetic acid (EDTA) over titanium oxide (TiO2)
Autor:Emilio, C.A.; Litter, M.I.; Magallanes, J.F.
Filiación:Unidad de Actividad Química, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Av. Gral. Paz 1499, (1650) San Martín, Prov. de Buenos Aires, Argentina
Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 2, (1428) Buenos Aires, Argentina
Palabras clave:Correlation methods; Irradiation; Neural networks; pH; Statistical methods; Titanium oxides; Ethylenediaminetetraacetic acid (EDTA); Photocatalysis; edetic acid; titanium dioxide; aqueous solution; article; artificial neural network; catalysis; chemical interaction; chemical reaction; concentration (parameters); irradiation; molecular model; pH; photochemistry; priority journal
Año:2002
Volumen:85
Número:3
Página de inicio:799
Página de fin:813
DOI: http://dx.doi.org/10.1002/1522-2675(200203)85:3<799::AID-HLCA799>3.0.CO;2-J
Título revista:Helvetica Chimica Acta
Título revista abreviado:Helv. Chim. Acta
ISSN:0018019X
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0018019X_v85_n3_p799_Emilio

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Citas:

---------- APA ----------
Emilio, C.A., Litter, M.I. & Magallanes, J.F. (2002) . Semiempirical modeling with application of artificial neural networks for the photocatalytic reaction of ethylenediaminetetraacetic acid (EDTA) over titanium oxide (TiO2). Helvetica Chimica Acta, 85(3), 799-813.
http://dx.doi.org/10.1002/1522-2675(200203)85:3<799::AID-HLCA799>3.0.CO;2-J
---------- CHICAGO ----------
Emilio, C.A., Litter, M.I., Magallanes, J.F. "Semiempirical modeling with application of artificial neural networks for the photocatalytic reaction of ethylenediaminetetraacetic acid (EDTA) over titanium oxide (TiO2)" . Helvetica Chimica Acta 85, no. 3 (2002) : 799-813.
http://dx.doi.org/10.1002/1522-2675(200203)85:3<799::AID-HLCA799>3.0.CO;2-J
---------- MLA ----------
Emilio, C.A., Litter, M.I., Magallanes, J.F. "Semiempirical modeling with application of artificial neural networks for the photocatalytic reaction of ethylenediaminetetraacetic acid (EDTA) over titanium oxide (TiO2)" . Helvetica Chimica Acta, vol. 85, no. 3, 2002, pp. 799-813.
http://dx.doi.org/10.1002/1522-2675(200203)85:3<799::AID-HLCA799>3.0.CO;2-J
---------- VANCOUVER ----------
Emilio, C.A., Litter, M.I., Magallanes, J.F. Semiempirical modeling with application of artificial neural networks for the photocatalytic reaction of ethylenediaminetetraacetic acid (EDTA) over titanium oxide (TiO2). Helv. Chim. Acta. 2002;85(3):799-813.
http://dx.doi.org/10.1002/1522-2675(200203)85:3<799::AID-HLCA799>3.0.CO;2-J