Theoretical analysis on absorption of carbon dioxide (Co2) into solutions of phenyl glycidyl ether (pge) using nonlinear autoregressive exogenous neural networks

dc.contributor.authorKhan, Naveed Ahmad
dc.contributor.authorSulaiman, Muhammad
dc.contributor.authorRomero, Carlos Andrés Tavera
dc.contributor.authorAlarfaj, Fawaz Khaled
dc.date.accessioned2025-07-28T20:58:54Z
dc.date.available2025-07-28T20:58:54Z
dc.date.issued2021
dc.description.abstractIn this paper, we analyzed the mass transfer model with chemical reactions during the absorption of carbon dioxide (CO2 ) into phenyl glycidyl ether (PGE) solution. The mathematical model of the phenomenon is governed by a coupled nonlinear differential equation that corresponds to the reaction kinetics and diffusion. The system of differential equations is subjected to Dirichlet boundary conditions and a mixed set of Neumann and Dirichlet boundary conditions. Further, to calculate the concentration of CO2, PGE, and the flux in terms of reaction rate constants, we adopt the supervised learning strategy of a nonlinear autoregressive exogenous (NARX) neural network model with two activation functions (Log-sigmoid and Hyperbolic tangent). The reference data set for the possible outcomes of different scenarios based on variations in normalized parameters (α1, α2, β1, β2, k) are obtained using the MATLAB solver “pdex4”. The dataset is further interpreted by the Levenberg–Marquardt (LM) backpropagation algorithm for validation, testing, and training. The results obtained by the NARX-LM algorithm are compared with the Adomian decomposition method and residual method. The rapid convergence of solutions, smooth implementation, computational 041 complexity, absolute errors, and statistics of the mean square error further validate the design scheme’s worth and efficiency
dc.identifier.citationKhan, N. A., Sulaiman, M., Romero, C. A. T., & Alarfaj, F. K. (2021). Theoretical analysis on absorption of carbon dioxide (Co2) into solutions of phenyl glycidyl ether (pge) using nonlinear autoregressive exogenous neural networks. Molecules, 26(19). https://doi.org/10.3390/MOLECULES26196041
dc.identifier.issn14203049
dc.identifier.urihttps://repositorio.usc.edu.co/handle/20.500.12421/7674
dc.language.isoen
dc.subjectArtificial intelligence
dc.subjectCarbon dioxide
dc.subjectChemical reactivity Concentration of CO2 and PGE
dc.subjectMachine learning
dc.subjectNARX networks
dc.subjectPhenyl glycidyl ether
dc.subjectReaction kinetics and diffusion
dc.subjectReaction mechanisms
dc.titleTheoretical analysis on absorption of carbon dioxide (Co2) into solutions of phenyl glycidyl ether (pge) using nonlinear autoregressive exogenous neural networks
dc.typeArticle

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