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Open AccessFeature PaperArticle

Surrogate Modeling for Liquid–Liquid Equilibria Using a Parameterization of the Binodal Curve

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Chair for Automation/Modelling, Otto von Guericke University Magdeburg, Universitätsplatz 2, 39106 Magdeburg, Germany
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Chair for Process Systems Engineering, Otto von Guericke University Magdeburg, Universitätsplatz 2, 39106 Magdeburg, Germany
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Max Planck Institute for Dynamics of Complex Technical Systems, Process Systems Engineering, Sandtorstraße 1, 39106 Magdeburg, Germany
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Max Planck Institute for Dynamics of Complex Technical Systems, Process Synthesis and Process Dynamics, Sandtorstraße 1, 39106 Magdeburg, Germany
*
Authors to whom correspondence should be addressed.
Processes 2019, 7(10), 753; https://doi.org/10.3390/pr7100753
Received: 5 September 2019 / Revised: 26 September 2019 / Accepted: 2 October 2019 / Published: 16 October 2019
(This article belongs to the Special Issue Advanced Methods in Process and Systems Engineering)
Computational effort and convergence problems can pose serious challenges when employing advanced thermodynamic models in process simulation and optimization. Data-based surrogate modeling helps to overcome these problems at the cost of additional modeling effort. The present work extends the range of methods for efficient data-based surrogate modeling of liquid–liquid equilibria. A new model formulation is presented that enables smaller surrogates with box-constrained input domains and reduced input dimensions. Sample data are generated efficiently by using numerical continuation. The new methods are demonstrated for the surrogate modeling and optimization of a process for the hydroformylation of 1-decene in a thermomorphic multiphase system. View Full-Text
Keywords: surrogate modeling; liquid–liquid equilibrium; parameterization; numerical continuation; optimization; multistage extraction surrogate modeling; liquid–liquid equilibrium; parameterization; numerical continuation; optimization; multistage extraction
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MDPI and ACS Style

Kunde, C.; Keßler, T.; Linke, S.; McBride, K.; Sundmacher, K.; Kienle, A. Surrogate Modeling for Liquid–Liquid Equilibria Using a Parameterization of the Binodal Curve. Processes 2019, 7, 753.

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