Multi-column chromatographic process development using simulated moving bed superstructure and simultaneous optimization – Model correction framework

Sreedhar, Balamurali; Kawajiri, Yoshiaki

doi:10.1016/j.ces.2014.05.004

Cited by 30 publications

(16 citation statements)

References 32 publications

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“…Kawajiri and Biegler (2006a) applied a full discretization approach in both spatial and temporal domains to convert the original model into a large-scale nonlinear programming (NLP) problem for asymmetric operation and cycle design (Kawajiri and Biegler, 8 2006b), and superstructure-based SMB synthesis with time-variant flow rates (Kawajiri and Biegler, 2006c;Kawajiri and Biegler, 2008). Kawajiri and co-workers (Bentley at al., 2013;Sreedhar and Kawajiri, 2014) developed a prediction-correction method using startup data, isotherm model selection, and parameter estimation to update SMB model parameters and remove model mismatch while performing process optimization. A novel surrogate-based and grey-box constrained optimization approach has been put forward by Hasan et al (2012b) to solve NAPDE models for cyclic separation processes, and has been applied to adsorption-based carbon capture (Hasan et al, 2013(Hasan et al, , 2014(Hasan et al, , 2015, natural gas purification (First et al, 2014) and hydrogen sulfide removal processes (Liu et al, 2016).…”

Section: Introductionmentioning

confidence: 99%

Discovery of novel zeolites and multi-zeolite processes for p-xylene separation using simulated moving bed (SMB) chromatography

Hasan

First

Floudas

2017

Chemical Engineering Science

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We present a multiscale approach for the identification of novel zeolites as well as for the optimization of simulated moving bed (SMB) chromatographic processes for p-xylene separation. Our hierarchical in silico approach pertains to detailed modeling, simulation, and optimization at molecular and process scales. At the molecular scale, it includes geometric-level pore topology characterization, minimum-energy pathway based selectivity prediction, and shape-selectivity based zeolite ranking for separation of xylenes. At the process scale, first principles model-based optimization of industrial-scale SMB process with 24 columns is performed for the selection of top zeolites and optimal process conditions. We develop a generalized mixed-integer nonlinear optimization (MINLP) model which considers both process design and material selection. We also allow for different zeolites to be selected in different columns. The application of the overall framework results in the discovery of several novel zeolites for the most profitable p-xylene separation using SMB chromatography. The top-ranked shape-selective zeolites are OBW, MEL, MWW, MTT, OWE, FER, SZR, IMF, TON and LAU, which have not been considered in the previous literature for p-xylene separation. To that end, we suggest new applications for these zeolites. Our results indicate that significant increase in profit can be achieved by replacing the current adsorbents by MWW and MEL zeolites. Remarkably, a new SMB process with multiples zeolites introduced in different columns

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Section: Introductionmentioning

confidence: 99%

Discovery of novel zeolites and multi-zeolite processes for p-xylene separation using simulated moving bed (SMB) chromatography

Hasan

First

Floudas

2017

Chemical Engineering Science

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“…However, also the suggestion of completely new and probably partly unexpected non‐trivial configurations can be envisaged. Promising applications of superstructure analysis are already used to evaluate and optimize the large spectrum of modified more flexible new SMB process configurations as shown in .…”

Section: Discussionmentioning

confidence: 99%

Generalizing Countercurrent Processes: Distillation and Beyond

Münzberg

Seidel‐Morgenstern

2018

Chemie Ingenieur Technik

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The implementation and exploitation of countercurrent movement between different phases is a well‐established principle to enhance the performance of separation processes. The improvements are essentially due to the establishment and application of more favorable driving forces compared to co‐current operation. The success of dedicated multistage countercurrent distillation processes has been a key motivator for the development of many other principles of countercurrent separation processes. This promoting aspect was strongly supported by the availability of graphical solutions of the underlying mass balance equations, e.g. the McCabe‐Thiele diagram. Selected applications of countercurrent separation processes are presented, which demonstrate extensions exploiting spatial and temporal sub‐structures and additional phase changes.

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“…In the previous study, the optimal flow rates were sufficiently lower than the upper bound. The reduced flow rates suppress band broadening [40], which was validated experimentally [41]. Second, the addition of methanol in the mobile phase improved the retention of the solutes.…”

Section: Smb Design and Performance Evaluationmentioning

confidence: 95%

Evaluation of tertiary pyridine resin for the separation of lanthanides by simulated moving‐bed chromatography

Sreedhar

Suzuki

Hobbs

et al. 2014

J of Separation Science

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Lanthanide separation by simulated moving-bed chromatography was studied as a model system for separating lanthanide fission products and minor actinides from used nuclear fuels. The simulated moving-bed system was modeled for a tertiary pyridine anion-exchange resin supported on silica particles as the stationary phase and a mixture of methanol and 1 M nitric acid as the mobile phase. Pulse injection tests using a single packed column were used to obtain chromatographic parameters for mathematical modeling of the simulated moving-bed system. Higher concentrations of methanol improved the separation, but the chromatograms showed evidence of nonlinearity of the isotherms. The mathematical model of the simulated moving-bed process predicted a production rate of purified samarium and neodymium at 118 g solute/L resin/day and a purity of 99.5%. The optimal methanol ratio for the production rate for various product purities was determined from the model. The excellent separation of Nd and Sm suggests that the simulated moving-bed system could be applied to the separation of minor actinides such as americium and curium.

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Multi-column chromatographic process development using simulated moving bed superstructure and simultaneous optimization – Model correction framework

Cited by 30 publications

References 32 publications

Discovery of novel zeolites and multi-zeolite processes for p-xylene separation using simulated moving bed (SMB) chromatography

Discovery of novel zeolites and multi-zeolite processes for p-xylene separation using simulated moving bed (SMB) chromatography

Generalizing Countercurrent Processes: Distillation and Beyond

Evaluation of tertiary pyridine resin for the separation of lanthanides by simulated moving‐bed chromatography

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