ICCK

Esteban Hernández-Tinoco

Tecnologico de Monterrey

Section 01

Academic Profile

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Section 02

Editorial Roles

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Section 03

ICCK Publications

Open Access | Communication | 12 August 2026
On the Structural Limitations of Neural Networks for Modeling Nonlinear CO$_2$ Adsorption Equilibria
Journal of Chemical Engineering and Renewable Fuels | Volume 2, Issue 3: 78-81, 2026 | DOI: 10.62762/JCERF.2026.725231
Abstract
Machine learning has emerged as a flexible alternative for modeling adsorption equilibrium. However, its limitations in highly nonlinear systems remain unclear. In this work, a feedforward neural network was evaluated using experimental adsorption data for CO$_2$ and N$_2$ on zeolite 13X taken from the literature. While the model accurately reproduces N$_2$ adsorption behavior, it exhibits systematic deviations for CO$_2$, particularly at higher loadings. Training diagnostics reveal a persistent validation loss plateau, indicating a limitation in the model's ability to further reduce prediction error. These results suggest that the discrepancy is not due to data quality or overfitting, but r... More >

Graphical Abstract
On the Structural Limitations of Neural Networks for Modeling Nonlinear CO$_2$ Adsorption Equilibria