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Inference of mixing rules for thermodynamic equations of state using neural networks

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Rico-Martínez,  Ramiro
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Citation

Bravo-Sánchez, U. I., Rico-Martínez, R., Alvarado, J. F. J., & Iglesias-Silva, G. (1998). Inference of mixing rules for thermodynamic equations of state using neural networks. Latin American Applied Research, 32(32), 97-104.


Cite as: http://hdl.handle.net/21.11116/0000-0008-1EF7-1
Abstract
The Artificial Neural Networks (ANNs) have proven to be a valuable tool for many applications. For modeling, the ANNs can be used to extract ad-hoc models that substitute for the lack of a first-principles formulation. The ANN is expected to capture the underlying characteristics of the system and thus can be used to predict, for example, the evolution of the dynamical response of a system. In this contribution we illustrate the use of ANNs for the construction of "gray-box" models: The purpose is not to replace the need for a fundamental model, but rather complement it. The illustration is based in the ANN-inference of mixing rules for a thermodynamic equation of state (EOS). The application of the ANNs within the framework of an EOS substantially increases the potential for applications allowing the estimation of thermodynamic properties different that the ones used for the training of the ANN.