Online estimation of optimal operating conditions for simulated moving bed chromatographic processes

Suvarov, Paul; Lee, Ju Weon; Wouwer, Alain Vande; Seidel‐Morgenstern, Andreas; Kienle, Achim

doi:10.1016/j.chroma.2019.05.042

Cited by 15 publications

(6 citation statements)

References 13 publications

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“…In our future work, we also intend to use the CE/SE method for model-based control of binary and ternary SMB processes following the approach in [31][32][33].…”

Section: Discussionmentioning

confidence: 99%

Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method

2020

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Chromatographic separation processes need efficient simulation methods, especially for nonlinear adsorption isotherms such as the Langmuir isotherms which imply the formation of concentration shocks. The focus of this paper is on the space–time conservation element/solution element (CE/SE) method. This is an explicit method for the solution of systems of partial differential equations. Numerical stability of this method is guaranteed when the Courant–Friedrichs–Lewy condition is satisfied. To investigate the accuracy and efficiency of this method, it is compared with the classical cell model, which corresponds to a first-order finite volume discretization using a method of lines approach (MOL). The evaluation is done for different models, including the ideal equilibrium model and a mass transfer model for different adsorption isotherms—including linear and nonlinear Langmuir isotherms—and for different chromatographic processes from single-column operation to more sophisticated simulated moving bed (SMB) processes for the separation of binary and ternary mixtures. The results clearly show that CE/SE outperforms MOL in terms of computational times for all considered cases, ranging from 11-fold for the case with linear isotherm to 350-fold for the most complicated case with ternary center-cut eight-zone SMB with Langmuir isotherms, and it could be successfully applied for the optimization and control studies of such processes.

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“…In our future work, we also intend to use the CE/SE method for model-based control of binary and ternary SMB processes following the approach in [31][32][33].…”

Section: Discussionmentioning

confidence: 99%

Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method

2020

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“…It is usually applied in the early phases of drug development and is also available for the preparing pure enantiomer up to kg scale from racemates. Same as the batch column chromatography, the selection of CSPs and eluent and optimization of production processes are critical, which have been discussed in several articles 59–62 . Compared with batch column chromatography method, it has short cycle, low cost, high separation efficiency, mobile phase recycling and automatic continuous operation.…”

Section: Methods For Preparative Scale Separation Of Enantiomersmentioning

confidence: 99%

“…Same as the batch column chromatography, the selection of CSPs and eluent and optimization of production processes are critical, which have been discussed in several articles. [59][60][61][62] Compared with batch column chromatography method, it has short cycle, low cost, high separation efficiency, mobile phase recycling and automatic continuous operation. For example, SMB-based process is used to separate S-efavirenz with enantiomeric purity over 99.9%, and has a capacity of about 300 kg/ day.…”

Section: Chromatographic Resolutionmentioning

confidence: 99%

Advances and applications of chiral resolution in pharmaceutical field

Teng

Chen

et al. 2022

Chirality

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The attention to chiral drugs has been raised to an unprecedented level as drug discovery and development strategies grow rapidly. However, separation of enantiomers is still a huge task, which leads to an increasing significance to equip a wider range of expertise in chiral separation science to meet the current and future challenges. In the last few decades, remarkable progress of chiral resolution has been achieved. This review summarizes and classifies chiral resolution methods in analytical scale and preparative scale systematically and comprehensively, including crystallization‐based method, inclusion complexation, chromatographic separation, capillary electrophoresis, kinetic resolution, liquid–liquid extraction, membrane‐based separation, and especially one bold new progress based on chiral‐induced spin selectivity theory. The advances and recent applications will be presented in detail, in which the contents may bring more thinking to wide‐ranging readers in various professional fields, from analytical chemistry, pharmaceutical chemistry, natural medicinal chemistry, to manufacturing of drug production.

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“…Several studies on the comparison of operation strategies for enantiomers separation by SMB chromatography have been carried out and demonstrated numerically. 263,[280][281][282][283][284] Including temperature gradient, 285 solvent gradient 265,[286][287][288] time variability 289 known as PowerFeed mode and modulation of the feed concentration during the switching cycles (ModiCon). 290 Also, different types of SMB apparatus were patented by Vroon et al 291 and Michel Anton.…”

Section: Simulated Moving Bed Chromatographymentioning

confidence: 99%