Implementation and Application of Model-Based Design of Experiments in a Flowsheet Simulator

被引：12

作者：

Asprion, Norbert ^{[1
]}

Boettcher, Roger ^{[1
]}

Mairhofer, Jonas ^{[1
]}

Yliruka, Maria ^{[1
,3
]}

Hoeller, Johannes ^{[2
]}

Schwientek, Jan ^{[2
]}

Vanaret, Charlie ^{[2
]}

Bortz, Michael ^{[2
]}

机构：

[1] BASF SE, Digitalizat R&D, Carl Bosch Str 38, D-67056 Ludwigshafen, Germany

[2] Fraunhofer Inst Ind Math ITWM, Fraunhofer Pl 1, D-67663 Kaiserslautern, Germany

[3] Imperial Coll, South Kensington Campus, London SW7 2AZ, England

来源：

JOURNAL OF CHEMICAL AND ENGINEERING DATA | 2020年 / 65卷 / 03期

关键词：

PERTURBED-CHAIN SAFT; MULTICRITERIA OPTIMIZATION; SUPPORT; STATE; PARAMETERS; EQUATION;

D O I：

10.1021/acs.jced.9b00494

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The benefit of model-based process simulation and optimization to enhance and improve process development depends on the reliability of the underlying model. Its selection and the values of the model parameters must be validated with experimental results. This work demonstrates that a model-based design of experiments integrated in a steady-state process flowsheet simulator supports model discrimination and parameter estimation and therefore increases the reliability of models and their parametrization. Realistic use cases including simulated vapor-liquid equilibria experiments for 2 binary systems (methanol + water for estimating parameters of an NRTL model and methanol + n-butane for selection of a PC SAFT association scheme) besides simulated plant experiments of a cumene plant for the estimation of kinetic parameters are chosen for an illustrative demonstration. Furthermore, details about the practical implementation and the workflow are given.

引用

页码：1135 / 1145

页数：11

共 27 条

[1]

[Anonymous], 2007, WILEY SERIES PROBABI

[2] Process Modeling, Simulation and Optimization: From Single Solutions to a Multitude of Solutions to Support Decision Making [J].

Asprion, Norbert ;

Bortz, Michael .

CHEMIE INGENIEUR TECHNIK, 2018, 90 (11) :1727-1738

[3] Simulation and Multi-criteria Optimization under Uncertain Model Parameters of a Cumene Process [J].

Asprion, Norbert ;

Blagov, Sergej ;

Boettcher, Roger ;

Schwientek, Jan ;

Burger, Jakob ;

von Harbou, Erik ;

Bortz, Michael .

CHEMIE INGENIEUR TECHNIK, 2017, 89 (05) :665-674

[4] INES - An Interface Between Experiments and Simulation to Support the Development of Robust Process Designs [J].

Asprion, Norbert ;

Benfer, Regina ;

Blagov, Sergej ;

Boettcher, Roger ;

Bortz, Michael ;

Berezhnyi, Maksym ;

Burger, Jakob ;

von Harbou, Erik ;

Kuefer, Karl-Heinz ;

Hasse, Hans .

CHEMIE INGENIEUR TECHNIK, 2015, 87 (12) :1810-1825

[5] Linking Models and Experiments [J].

Bonvin, D. ;

Georgakis, C. ;

Pantelides, C. C. ;

Barolo, M. ;

Grover, M. A. ;

Rodrigues, D. ;

Schneider, R. ;

Dochain, D. .

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2016, 55 (25) :6891-6903

[6] Experimental Design in a Multicriteria Optimization Context: An Adaptive Scheme [J].

Bortz, M. ;

Hoeller, J. ;

Schwientek, J. ;

Boettcher, R. ;

Hirth, O. ;

Asprion, N. .

IFAC PAPERSONLINE, 2018, 51 (02) :747-752

[7] Efficient Approach for Calculating Pareto Boundaries under Uncertainties in Chemical Process Design [J].

Bortz, M. ;

Burger, J. ;

von Harbou, E. ;

Klein, M. ;

Schwientek, J. ;

Asprion, N. ;

Bottcher, R. ;

Kuefer, K-H. ;

Hasse, H. .

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2017, 56 (44) :12672-12681

[8] Multi-criteria optimization in chemical process design and decision support by navigation on Pareto sets [J].

Bortz, M. ;

Burger, J. ;

Asprion, N. ;

Blagov, S. ;

Boettcher, R. ;

Nowak, U. ;

Scheithauer, A. ;

Welke, R. ;

Kuefer, K. -H. ;

Hasse, H. .

COMPUTERS & CHEMICAL ENGINEERING, 2014, 60 :354-363

[9]

Burger J., 2014, CHEM INGENIEUR TECHN, V86, P1

[10] Vapor-liquid equilibrium in the n-butane plus methanol system, measurement and modeling from 323.2 to 443.2 K [J].

Courtial, Xavier ;

Soo, Chien-Bin ;

Coquelet, Christophe ;

Paricaud, Patrice ;

Ramjugernath, Deresh ;

Richon, Dominique .

FLUID PHASE EQUILIBRIA, 2009, 277 (02) :152-161

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