Literature DB >> 33804158

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

Mariano Pierantozzi1, Ángel Mulero2, Isidro Cachadiña2.   

Abstract

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.

Entities:  

Keywords:  aliphatic acids; artificial neural network; carboxylic acids; organic fatty acids; polyfunctional acids; surface tension

Year:  2021        PMID: 33804158      PMCID: PMC7998689          DOI: 10.3390/molecules26061636

Source DB:  PubMed          Journal:  Molecules        ISSN: 1420-3049            Impact factor:   4.411


  3 in total

1.  A molecular structure based model for predicting surface tension of organic compounds.

Authors:  E J Delgado; G A Diaz
Journal:  SAR QSAR Environ Res       Date:  2006-10       Impact factor: 3.000

2.  Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method.

Authors:  Rudolf Naef; William E Acree
Journal:  Molecules       Date:  2018-05-20       Impact factor: 4.411

3.  A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability.

Authors:  Rudolf Naef
Journal:  Molecules       Date:  2015-10-07       Impact factor: 4.411

  3 in total

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