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Design and online optimization of a new continuous chromatographic separation process for ‘center-cut’ separations

Applicant Ju Weon Lee, Ph.D.
Subject Area Chemical and Thermal Process Engineering
Term from 2020 to 2024
Project identifier Deutsche Forschungsgemeinschaft (DFG) - Project number 441831362
 
Final Report Year 2024

Final Report Abstract

This project was established to develop a new continuous simulated moving bed (SMB) chromatographic separation process for complete ternary separations including ‘center-cut’ separation problems. This newly proposed SMB design, a double-layer SMB (DL-SMB) follows the same design concept of the well-established dividing-wall distillation column. For linear isotherms (the most simple system), the short-cut design method based on the equilibrium theory was introduced and its performances were assessed compared to the earlyestablished ternary SMB systems. In this project, this SMB design concept was validated to apply in the Langmuir isotherm system (the most common non-linear system). To perform the validation of this system, the short-cut design method should be modified to fit to the nonlinear systems, and the simulation and experimental work should be done for a real ternary mixture. As a model system, three cycloketones, cyclopentanone, cyclohexanone, and cycloheptanone were chosen. This chosen system follows the competitive Langmuir isotherm behaviors, so that the short-cut design method of DL-SMB for the competitive Langmuir isotherms was developed using numerical hodograph analysis. The thermodynamic and kinetic parameters, which are necessary for simulation and design of the DL-SMB, were experimentally measured in reversed-phase liquid chromatography using a tandem high performance liquid chromatography (HPLC) system. In the process simulation using a simulation tool, Aspen Chromatography (Ver. 12, Aspen Tech Inc., USA), the process was successfully validated. In experimental validation, total 12 preparative-scale columns were used. The complete process control system including the on-site HPLC analysis unit was developed using Lab- View (Ver. 2011, National Instruments Inc., USA). Since the simulation should be done as quick as possible to trace the system behaviors in real time, a new simulation tool was developed using a surrogate model and newly developed numerical analysis scheme for the finite volume method, the mixing cell with active counteraction scheme. This simulation tool can calculate the delay of transportation caused by the system volumes, such as the capillaries, fittings, valves, and pumps

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