An artificial neural network-based NRTL model for simulating liquid liquid equilibria of systems present in biofuels production

摘要

A new hybrid local composition model was developed for simulating the liquid-liquid equilibria of systems involved in biofuels production. This model was based on the hybridization of the NRTL equation and an artificial neural network. Numerical performance of this hybrid model was tested with experimental phase equilibria data of biofuels-based ternary systems. Results showed that this hybrid thermodynamic model has improved data fitting properties than those obtained for the original NRTL equation. This model can be utilized to improve the estimation of liquid-liquid equilibria in biofuel process simulations. (C) 2018 Elsevier B.V. All rights reserved.