Application of deep neural network (DNN) for experimental liquid-liquid equilibrium data of water plus butyric acid+5-methyl-2-hexanone ternary systems

Bekri S., ÖZMEN D., Turkmenoglu A., ÖZMEN A.

FLUID PHASE EQUILIBRIA, vol.544, 2021 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 544
  • Publication Date: 2021
  • Doi Number: 10.1016/j.fluid.2021.113094
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, INSPEC, Metadex, Civil Engineering Abstracts
  • Istanbul University Affiliated: No


LLE data are important for simulation and design of extraction equipment. In this study, deep neural network (DNN) structure was proposed for modelling of the ternary liquid-liquid equilibrium (LLE). LLE data of (water + butyric acid + 5-methyl-2-hexanone) ternaries defined at three different temperatures of 298.2, 308.2, and 318.2 K and P = 101.3 kPa, were obtained experimentally and then correlated with nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) models. The performance of the proposed DNN model was compared with that of NRTL and UNIQUAC in terms of the root mean square errors (RMSE). RMSE values were obtained between 0.02-0.06 for NRTL and UNIQUAC, respectively. For DNN, the error values were obtained between 0.00 005-0.01 for all temperatures. According to the calculated RMSE values, it was shown that proposed DNN structure can be better choice for the modelling of LLE system. Othmer-Tobias and Hand correlations were also used for the experimental tie-lines. Distribution coefficient and separation factors were calculated from the experimental data. (C) 2021 Elsevier B.V. All rights reserved.