Model-based prediction of optimal conditions for 1-octene hydroformylation

Hentschel, Benjamin; Peschel, Andreas; Xie, Mingquan; Vogelpohl, Christina; Sadowski, Gabriele; Freund, Hannsjörg; Sundmacher, Kai

doi:10.1016/j.ces.2013.03.051

Cited by 10 publications

(7 citation statements)

References 45 publications

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“…For the further validation of the optimal reaction route, two scenarios are selected, inspired by the results of the process wide optimal control calculated in our previous work. 16 There it was shown that, due to the high amount of organic phase, which has to be recycled after reaction, a high conversion of 1-dodecene yields a cost optimal process. Because of this finding and because the experimental errors are much higher for low conversions due to the short reaction time, scenarios at higher conversion are chosen for experimental validation.…”

Section: ■ Resultsmentioning

confidence: 99%

“…16 However, due to the high amount of solvent used in this work, the solubility change due to product formation is considered negligible. Optimal Control Problem.…”

Section: ■ Model Formulationmentioning

confidence: 99%

“…In previous works, it was shown that the solvent composition can have a significant effect on the gas solubilities, which could be accounted for by integrating advanced equations of state into the optimization framework. 16 However, due to the high amount of solvent used in this work, the solubility change due to product formation is considered negligible. Optimal Control Problem.…”

Section: ■ Model Formulationmentioning

confidence: 99%

“…The parameters (Table ) of the temperature-dependent gas solubilities H i , given by eq , were obtained from solubility measurements in the same reactor as used for the validation experiments. The details of the experimental procedure for the determination of the solubility parameters can be found in ref . In previous works, it was shown that the solvent composition can have a significant effect on the gas solubilities, which could be accounted for by integrating advanced equations of state into the optimization framework . However, due to the high amount of solvent used in this work, the solubility change due to product formation is considered negligible.…”

Section: Model Formulationmentioning

confidence: 99%

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Model-Based Identification and Experimental Validation of the Optimal Reaction Route for the Hydroformylation of 1-Dodecene

Hentschel

Kiedorf

Gerlach

et al. 2015

Ind. Eng. Chem. Res.

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Previously developed kinetic and dynamic models of the hydroformylation of 1-dodecene in a thermomorphic multicomponent solvent system (TMS), consisting of DMF, n-decane, and hydroformylation products, were experimentally validated applying various operation modes, such as batch, semibatch, and perturbed batch operation. On the basis of experimentally obtained data, which cover a broad range of physical conditions, the parameters of the reaction kinetics were refined to give reliable model predictions as basis for rigorous process optimization. The improved model was used for dynamic optimization to obtain optimal trajectories (e.g., temperature and gas dosing fluxes versus reaction time), which maximize the selectivity to the desired linear aldehyde product. The predicted optimal trajectories were successfully validated in semibatch reactor experiments.

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Section: ■ Resultsmentioning

confidence: 99%

“…16 However, due to the high amount of solvent used in this work, the solubility change due to product formation is considered negligible. Optimal Control Problem.…”

Section: ■ Model Formulationmentioning

confidence: 99%

Section: ■ Model Formulationmentioning

confidence: 99%

Section: Model Formulationmentioning

confidence: 99%

See 2 more Smart Citations

Model-Based Identification and Experimental Validation of the Optimal Reaction Route for the Hydroformylation of 1-Dodecene

Hentschel

Kiedorf

Gerlach

et al. 2015

Ind. Eng. Chem. Res.

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“…This kinetic model as well as the reaction network (see Figure 1) was later refined by Hentschel et al [20] and used for dynamic optimization of a semi-batch setup to improve selectivity towards the desired linear aldehyde. In addition, Hentschel et al [23] performed production cost optimization using the hydroformylation process of 1-dodecene augmented by downstream distillation columns for apolar solvent recovery as well as isomer separation.…”

Section: Introductionmentioning

confidence: 99%

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

Rätze

Jokiel

Kaiser

et al. 2019

Chemical Engineering Journal

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Thermomorphic Multiphase Systems: Switchable Solvent Mixtures for the Recovery of Homogeneous Catalysts in Batch and Flow Processes

Bianga

Künnemann

Gaide

et al. 2019

Chemistry A European J

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Over the past 20 years, thermomorphic multiphase systems (TMS) have been used as a versatile and elegant strategy for the recovery and recycling of homogeneous transition‐metal catalysts, in both batch‐scale experiments and continuously operated processes. TMS ensure a homogeneous reaction in a monophasic reaction mixture at reaction temperature and the recovery of the homogeneous transition‐metal catalyst through liquid–liquid separation at a lower separation temperature. This is achieved by using at least two solvents, which have a highly temperature‐sensitive miscibility gap. The suitability of commercially available solvents makes this approach highly interesting from an industrial point of view. For the first time, herein, all studies in the area of TMS are reviewed, with the aim of providing a concise and integral representation of this approach for homogeneous catalyst recovery. In addition to the discussion of examples from the literature, the thermodynamic fundamentals of the temperature‐dependent miscibility of solvents are also presented. This review also gives key indicators to compare different TMS approaches, for instance. In this way, new solvent combinations and in‐depth research, as well as improvements to existing approaches, can be addressed and promoted.

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Model-based prediction of optimal conditions for 1-octene hydroformylation

Cited by 10 publications

References 45 publications

Model-Based Identification and Experimental Validation of the Optimal Reaction Route for the Hydroformylation of 1-Dodecene

Model-Based Identification and Experimental Validation of the Optimal Reaction Route for the Hydroformylation of 1-Dodecene

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

Thermomorphic Multiphase Systems: Switchable Solvent Mixtures for the Recovery of Homogeneous Catalysts in Batch and Flow Processes

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