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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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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. |
format | Online Article Text |
id | pubmed-7998689 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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