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17 December 2025

Solubility Prediction in N2O + Ionic Liquid Systems Using Artificial Neural Networks Including Thermodynamically Consistent Data

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1
Department de Física, Universidad de Concepción, Casilla 160-C, Concepción 3349001, Chile
2
Departamento de Óptica, Facultad de Física, Universidad Complutense, 28040 Madrid, Spain
3
Facultad de Ingeniería, Universidad Autónoma de Chile, 5 Poniente 1670, Talca 3480094, Chile
*
Author to whom correspondence should be addressed.
This article belongs to the Special Issue Applications of Artificial Intelligence Technologies in Energy, Manufacturing and Automatic Control Processes

Abstract

The solubilities of 498 datasets of N2O and ionic liquid systems were predicted using a multilayer perceptron. The data used to train the artificial neural network was subjected to the Gibbs–Duhem test to analyze their thermodynamic consistency. The Peng–Robinson cubic equation of state, combined with the Kwak–Mansoori mixing rule, was used as the thermodynamic model to implement the test. The analysis indicated that 71.9% of the data were declared thermodynamically inconsistent. The ability of artificial neural networks (ANNs) to predict the solubility of these systems using experimental datasets that do not satisfy the thermodynamic consistency criteria based on the Gibbs–Duhem equation was studied. The multilayer perceptron model achieved an average absolute deviation of 1.81% and a maximum individual deviation of 7.56%. These results highlight the potential of ANNs as robust predictive tools even when the available data do not fully satisfy thermodynamic consistency criteria.

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