Collaborative Research Center/Transregio 63
"Integrated Chemical Processes in Liquid Multiphase Systems"
Researchers: M. Sc. Tobias Keßler, M. Sc. Steffen Linke
The rational selection of optimal solvents for a chemical process is a challenging problem in process design. The conventional procedure is to select a solvent during process development and to perform optimization of the solvent type afterwards. In integrated solvent and process design these two steps are performed simultaneously in order to account for the influence of the solvent structure on the performance of the entire production process in one single step. This, however, requires advanced solution strategies to solve large-scale mixed-integer problems (MINLP) resulting from model-based integrated solvent and process design.
The objective function in process design is conventionally based exclusively on economic criteria. Important aspects regarding ecological aspects are often ignored. But for a process to be considered as “sustainable”, it should be optimized economically as well as ecologically.
Figure 1: Main objectives of B9: Use of green solvents in consideration of sustainability and economics at process level
A3 (Hamel, Seidel-Morgenstern): Mechanistic and Kinetic Investigations of the Isomerization, Hydroformylation and Hydroesterification of Petrochemicals and Oleochemicals in Multiphase Fluid Systems
A4 (Sadowski, Stein): Reaction Kinetics and Phase Equilibria in Complex Mixtures
A11 (Seidensticker, Vogt): Homogeneously catalyzed reductive amination of long-chain aldehydes and hydroaminomethylation of long-chain alkenes with integrated catalyst separation in thermoregulated phase systems
B1 (Sundmacher, Zähringer): Exchange of kinetic data and models, validation of the optimal solvent system as well as dosing and temperature trajectories on reactor and process level
D1 (Engell, Sadowski, Sundmacher): Fast model-based design of chemical processes with several liquid phases
Keßler, T.; Kunde, C.; McBride, K.; Mertens, N.; Michaels, D.; Sundmacher, K.; Kienle, A. Global Optimization of Distillation Columns using Explicit and Implicit Surrogate Models. Chemical Engineering Science, 197, 235-245, 2019. [doi.org/10.1016/j.ces.2018.12.002]
Keßler, T.; Kunde, C.; Linke, S.; McBride, K.; Sundmacher, K.; Kienle, A. Systematic Selection of Green Solvents and Process Optimization for the Hydroformylation of Long-Chain Olefines. Processes, 7(12), 882, 2019. [doi.org/10.3390/pr7120882]
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, 7, 753, 2019. [doi.org/10.3390/pr7100753]
Jokiel, M.; Kaiser, N. M.; Kováts, P.; Mansour, M.; Zähringer, K.; Nigam, K. D.P.; Sundmacher, K. Helically coiled segmented flow tubular reactor for the hydroformylation of long-chain olefins in a thermomorphic multiphase system. Chemical Engineering Journal, in press, 2018. [doi.org/10.1016/j.cej.2018.09.221]
Keßler, T.; Kunde, C.; Mertens, N.; Michaels, D.; Kienle, A. Global optimization of distillation columns using surrogate models. SN Applied Sciences, 1,11, 2018. [doi.org/10.1007/s42452-018-0008-9]
Kunde, C.; Kienle, A. Global optimization of multistage binary separation networks. Chemical Engineering and Processing - Process Intensiﬁcation, 131, 164-177, 2018. [doi.org/10.1016/j.cep.2018.06.024]
McBride, K.; Linke, S.; Xu, S.; Sundmacher, K. Computer Aided Design of Green Thermomorphic Solvent Systems for Homogeneous Catalyst Recovery. Computer Aided Chemical Engineering, 44, 1783-1788, 2018. [doi.org/10.1016/B978-0-444-64241-7.50292-5]