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Christian Kunde
Tobias Keßler
Steffen Linke
Kevin McBride
Kai Sundmacher
and Achim Kienle
surrogate modeling
liquid–liquid equilibrium
parameterization
numerical continuation
optimization
multistage extraction
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.
Surrogate Modeling for Liquid–Liquid Equilibria Using a Parameterization of the Binodal Curve
application/pdf
2019-10-16T09:12:40+01:00
LaTeX with hyperref package
2019-12-04T11:08:36+01:00
surrogate modeling; liquid–liquid equilibrium; parameterization; numerical continuation; optimization; multistage extraction
pdfTeX-1.40.18
This is pdfTeX, Version 3.14159265-2.6-1.40.18 (TeX Live 2017/W32TeX) kpathsea version 6.2.3
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