Cyclic operation of a semi-batch reactor for the hydroformylation of long-chain olefins and integration in a continuous production process

Rätze, Karsten; Jokiel, Michael; Kaiser, N. M.; Sundmacher, Kai

doi:10.1016/j.cej.2018.11.151

Cited by 7 publications

(15 citation statements)

References 29 publications

(82 reference statements)

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“…In spite of such difficulties, some trials to operate SeqBR, or cyclic BR, or even parallel BR have been reported in the literature, by using two to five biological FBR [40][41][42], 14 cyclic BR [43], 48 parallel BRs [44], or 24 parallel BRs [45]. As expected, optimized FBR reported better performances compared to the simple BR due to a higher operating flexibility [5,15,22,46].…”

Section: The Choice Of N Brmentioning

confidence: 89%

Model-Based Optimization of Mannitol Production by Using a Sequence of Batch Reactors for a Coupled Bi-Enzymatic Process—A Dynamic Approach

Maria

Peptănaru

2021

Dynamics

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Multi-enzymatic reactions can successfully replace complex chemical syntheses, using milder reaction conditions, and generating less waste. The present model-based analysis compares the performances of several optimally operated Batch Reactors (BR) with those of an optimally operated serial Sequence of BRs (SeqBR). In multi-enzymatic systems, SeqBR could be more advantageous and flexible, allowing the optimization of costly enzymes amounts used in each BR in the series. Exemplification was made for the bi-enzymatic reduction of D-fructose to mannitol by using MDH (mannitol dehydrogenase) and the NADH cofactor, with the in situ continuous regeneration of NADH at the expense of formate degradation in the presence of FDH (formate dehydrogenase). For such coupled enzymatic systems, the model-based engineering evaluations are difficult tasks, because they must account for the common species’ initial levels, their interaction, and their dynamics. The determination of optimal operating modes of sole BR or of a SeqBR turns into a multi-objective optimization problem with multiple constraints to be solved for every particular system. The study presents multiple elements of novelty: (i) the proof of higher performances of an optimal SeqBR (including N-BRs) compared to a sole optimal BR operated for N-number of runs and (ii) the effect of using a multi-objective optimization criteria on SeqBR adjustable dynamics.

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Section: The Choice Of N Brmentioning

confidence: 89%

Model-Based Optimization of Mannitol Production by Using a Sequence of Batch Reactors for a Coupled Bi-Enzymatic Process—A Dynamic Approach

Maria

Peptănaru

2021

Dynamics

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“…Recently, the hydroformylation of long-chain olefins, which can be produced from renewable feedstocks, was carefully investigated in order to design an efficient process using homogeneous catalysis. − The process is based on a temperature-controlled switchable solvent system called a thermomorphic multicomponent system (TMS) enabling the reaction and the separation of the product from the catalyst. N , N -Dimethylformamide (DMF) was proposed initially as a promising solvent candidate by chemical intuition and was later identified as one of the best performing solvents from a thermodynamic point of view. , However, DMF is a developmental toxic substance, and is included in the REACH list of components of very high concern.…”

Section: Introductionmentioning

confidence: 99%

Systematic Green Solvent Selection for the Hydroformylation of Long-Chain Alkenes

Linke

McBride

Sundmacher

2020

ACS Sustainable Chem. Eng.

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When selecting solvents, not only thermodynamic criteria but also environmental, health, and safety (EHS) properties should be considered. To this end, we present a fully automated solvent selection approach for the homogeneous catalyzed hydroformylation of 1-decene in a temperature-dependent thermomorphic multicomponent system (TMS) using the conductor-like screening model for real solvents (COSMO-RS). The state-of-the-art TMS uses N,N-dimethylformamide (DMF) as the catalyst carrier, which is developmentally toxic, thereby demanding replacement. In order to evaluate the EHS properties holistically, 30 predictive EHS models for 15 different properties are considered in the solvent selection framework, as well as the reliability of the predictions. From a database containing approximately 7800 molecules, the most promising candidates are identified. The best solvent among them, diethyl sulfoxide (DESO), is predicted as outperforming DMF as a catalyst solvent in the hydroformylation. The evidence suggests that DESO may be a broadly applicable environmentally benign substitute solvent for DMF.

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“…This allows to realize the integrated overall process while avoiding the operation of the distillation column. The rigorous process model derived by Rätze et al is used to determine the flow rates for the experiments as well as the batch reaction times. Finally, all results will be discussed and compared to the literature and the model prediction.…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…The RSBR was constructed and first operated with a closed catalyst recycle by Rätze et al to demonstrate the experimental feasibility of the reactor concept. However, in contrast to the suggested reactor volume of 550 mL by Kaiser et al, the RSBR rig was constructed with a reactor volume of 240 mL . Rätze et al developed a rigorous dynamic process model and validated this dynamic model with the steady-state model used by Kaiser et al for the parameter optimization.…”

Section: Introductionmentioning

confidence: 99%

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Miniplant-Scale Evaluation of a Semibatch-Continuous Tandem Reactor System for the Hydroformylation of Long-Chain Olefins

Jokiel

Rätze

Kaiser

et al. 2019

Ind. Eng. Chem. Res.

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Innovative reactor concepts show evidence to significantly improve the reaction performance in comparison to conventional reactor systems. To evaluate the reactor concepts, experimental investigation of the process behavior is indispensable. In this contribution, a reactor tandem comprising a repeatedly operated semibatch reactor (RSBR) followed by a continuously stirred tank reactor (CSTR) is analyzed for the hydroformylation of 1-dodecene. This reactor tandem was suggested by N. M. Kaiser et al. [Ind. Eng. Chem. Res. 2017, 56, 11507–11518] to increase the selectivity toward the linear aldehyde at high conversion levels of 1-dodecene. An additional degree of freedom is gained because of the combined utilization of a batchwise and continuously operated reactor. By using a dynamic process model for planning of the experiments, comparability is ensured with studies of a single CSTR from literature. The experiments confirm an increase in conversion and target product yield applying the RSBR + CSTR tandem, so that up to 90% selectivity is achieved with closed byproduct recycle.

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Cyclic operation of a semi-batch reactor for the hydroformylation of long-chain olefins and integration in a continuous production process

Cited by 7 publications

References 29 publications

Model-Based Optimization of Mannitol Production by Using a Sequence of Batch Reactors for a Coupled Bi-Enzymatic Process—A Dynamic Approach

Model-Based Optimization of Mannitol Production by Using a Sequence of Batch Reactors for a Coupled Bi-Enzymatic Process—A Dynamic Approach

Systematic Green Solvent Selection for the Hydroformylation of Long-Chain Alkenes

Miniplant-Scale Evaluation of a Semibatch-Continuous Tandem Reactor System for the Hydroformylation of Long-Chain Olefins

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