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A note on artificial neural network modeling of vapor-liquid equilibrium in multicomponent mixtures
Malmö University, Biofilms Research Centre for Biointerfaces (BRCB). Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM).ORCID iD: 0000-0003-4054-3854
Malmö University, Faculty of Health and Society (HS), Department of Biomedical Science (BMV). Malmö University, Biofilms Research Centre for Biointerfaces (BRCB).ORCID iD: 0000-0002-9852-5440
2019 (English)In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 502, article id 112282Article in journal (Refereed) Published
Abstract [en]

Application of artificial neural networks (ANNs) for modeling of vapor-liquid equilibrium in multicomponent mixtures is considered. Two novel ANN-based models are introduced, which can be seen as generalizations of the Wilson model and the NRTL model. A unique feature of the proposed approach is that an ANN approximation for the molar excess Gibbs energy generates approximations for the activity coefficients. A special case of the ternary acetic acid-n-propyl alcohol-water system (at 313.15 K) is used to illustrate the efficiency of the different models, including Wilson's model, Focke's model, and the introduced generalized degree-1 homogeneous neural network model. Also, the latter one-level NN model is compared to the Wilson model on 10 binary systems. The efficiency of the two-level NN model is assessed by a comparison with the NRTL model.

Place, publisher, year, edition, pages
Elsevier, 2019. Vol. 502, article id 112282
Keywords [en]
Vapor-liquid equilibrium, Ternary system, Excess gibbs energy, Activity coefficients, Artificial neural network
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:mau:diva-2605DOI: 10.1016/j.fluid.2019.112282ISI: 000490627400006Scopus ID: 2-s2.0-85071105682Local ID: 30525OAI: oai:DiVA.org:mau-2605DiVA, id: diva2:1399368
Available from: 2020-02-27 Created: 2020-02-27 Last updated: 2025-09-26Bibliographically approved

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Argatov, IvanKocherbitov, Vitaly

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Biofilms Research Centre for Biointerfaces (BRCB)Department of Materials Science and Applied Mathematics (MTM)Department of Biomedical Science (BMV)
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Fluid Phase Equilibria
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