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Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model

An artificial neural network model is proposed for the surface tension of liquid organic fatty acids covering a wide temperature range. A set of 2051 data collected for 98 acids (including carboxylic, aliphatic, and polyfunctional) was considered for the training, testing, and prediction of the resu...

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Detalles Bibliográficos
Autores principales: Pierantozzi, Mariano, Mulero, Ángel, Cachadiña, Isidro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7998689/
https://www.ncbi.nlm.nih.gov/pubmed/33804158
http://dx.doi.org/10.3390/molecules26061636
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author Pierantozzi, Mariano
Mulero, Ángel
Cachadiña, Isidro
author_facet Pierantozzi, Mariano
Mulero, Ángel
Cachadiña, Isidro
author_sort Pierantozzi, Mariano
collection PubMed
description An artificial neural network model is proposed for the surface tension of liquid organic fatty acids covering a wide temperature range. A set of 2051 data collected for 98 acids (including carboxylic, aliphatic, and polyfunctional) was considered for the training, testing, and prediction of the resulting network model. Different architectures were explored, with the final choice giving the best results, in which the input layer has the reduced temperature (temperature divided by the critical point temperature), boiling temperature, and acentric factor as an independent variable, a 41-neuron hidden layer, and an output layer consisting of one neuron. The overall absolute percentage deviation is 1.33%, and the maximum percentage deviation is 14.53%. These results constitute a major improvement over the accuracy obtained using corresponding-states correlations from the literature.
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spelling pubmed-79986892021-03-28 Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model Pierantozzi, Mariano Mulero, Ángel Cachadiña, Isidro Molecules Article An artificial neural network model is proposed for the surface tension of liquid organic fatty acids covering a wide temperature range. A set of 2051 data collected for 98 acids (including carboxylic, aliphatic, and polyfunctional) was considered for the training, testing, and prediction of the resulting network model. Different architectures were explored, with the final choice giving the best results, in which the input layer has the reduced temperature (temperature divided by the critical point temperature), boiling temperature, and acentric factor as an independent variable, a 41-neuron hidden layer, and an output layer consisting of one neuron. The overall absolute percentage deviation is 1.33%, and the maximum percentage deviation is 14.53%. These results constitute a major improvement over the accuracy obtained using corresponding-states correlations from the literature. MDPI 2021-03-15 /pmc/articles/PMC7998689/ /pubmed/33804158 http://dx.doi.org/10.3390/molecules26061636 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Pierantozzi, Mariano
Mulero, Ángel
Cachadiña, Isidro
Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model
title Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model
title_full Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model
title_fullStr Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model
title_full_unstemmed Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model
title_short Surface Tension of Liquid Organic Acids: An Artificial Neural Network Model
title_sort surface tension of liquid organic acids: an artificial neural network model
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7998689/
https://www.ncbi.nlm.nih.gov/pubmed/33804158
http://dx.doi.org/10.3390/molecules26061636
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