Kinetische Parameteridentifikation und Modelldiskriminierung am Beispiel der nassen Oxidation von Thiosulfat

Holz, Stephan; Stewers, Lennart; Thielert, Holger; Guetta, Zion; Repke, Jens‐Uwe

doi:10.1002/cite.201900063

Cited by 3 publications

(15 citation statements)

References 13 publications

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“…However, more complex reaction networks are reported in literature as If no excess of ammonia is present in the solution, [7] observed that some thiosulfate precipitated as elemental sulfur. In [11], thiosulfate oxidation showed a complex behavior which was not described very well by Eq. (1).…”

Section: Supporting Information Available Onlinementioning

confidence: 95%

“…In [10], the oxidation of craft black liquor from the pulp industry, containing up to 17 % solids, is investigated. The only work referring to wet-oxidative desulfurization effluents with highly concentrated thiosulfate is from Holz et al [11], but nonetheless, the experimental conditions are too mild to be applied to the design of industrially relevant reactors.…”

Section: Supporting Information Available Onlinementioning

confidence: 99%

“…(1). Therefore, two alternative reaction networks were postulated, one of them consisting of even four reactions [11].…”

Section: Supporting Information Available Onlinementioning

confidence: 99%

“…As the formation of stable intermediate products vanishes with increasing temperature [10], it is concluded that Eq. ( 1) is sufficient to describe the thiosulfate oxidation at temperatures above 503 K, resulting in a significantly less complex kinetic model compared to [11].…”

Section: Supporting Information Available Onlinementioning

confidence: 99%

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Kinetics of Ammonium Thiosulfate Wet Air Oxidation under High‐Temperature Conditions

et al. 2022

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To remove H2S and HCN from acid gases, wet‐oxidative desulfurization such as the Takahax process can be applied. There, a continuous wastewater stream with high concentrations of ammonium thiosulfate and thiocyanate is discharged. By wet air oxidation of these salts at 473–573 K, fertilizer‐grade ammonium sulfate can be obtained. Thiosulfate wet air oxidation kinetics was investigated under industrially relevant conditions via the oxygen consumption rate in a high‐pressure reactor. Kinetic parameters were estimated with a dynamic reactor model. The experimental data was reproduced with a good average deviation of 2.17 %, and the applied reaction pathway is simple due to the high temperatures. This is an important step towards taylor‐made reactors for wet air oxidation of Takahax wastewater.

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Section: Supporting Information Available Onlinementioning

confidence: 95%

Section: Supporting Information Available Onlinementioning

confidence: 99%

“…(1). Therefore, two alternative reaction networks were postulated, one of them consisting of even four reactions [11].…”

Section: Supporting Information Available Onlinementioning

confidence: 99%

Section: Supporting Information Available Onlinementioning

confidence: 99%

See 2 more Smart Citations

Kinetics of Ammonium Thiosulfate Wet Air Oxidation under High‐Temperature Conditions

et al. 2022

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“…This approach is described in literature with different software and optimization tools. [5,19] At Siegfried AG the RC1 reaction calorimeter combined with an automatic sampling system, offline analytics and spectroscopic PAT tools are used to generate experimental data. The kinetic and thermodynamic parameters of the corresponding reactions and involved side reactions are then determined with Dynochem ® .…”

Section: Introductionmentioning

confidence: 99%

New Scale-Up Technologies for Hydrogenation Reactions in Multipurpose Pharmaceutical Production Plants

Furrer

Müller

Hasler

et al. 2021

Chimia

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The classical scale-up approach for hydrogenation reaction processes usually includes numerous laboratory- and pilot-scale experiments. With a novel scale-up strategy, a significant number of these experiments may be replaced by modern computational simulations in combination with scale-down experiments. With only a few laboratory-scale experiments and information about the production-scale reactor, a chemical process model is developed. This computational model can be used to simulate the production-scale process with a range of different process parameters. Those simulations are then validated by only a few experiments in an advanced scale-down reactor. The scale-down reactor has to be geometrically identical to the corresponding production-scale reactor and should show a similar mass transfer behaviour. Closest similarity in terms of heat transfer behaviour is ensured by a sophisticated 3D-printed heating/cooling finger, offering the same heat exchange area per volume and overall heat-transfer coefficient as in production-scale. The proposed scale-up strategy and the custom-designed scale-down reactor will be tested by proof of concept with model reactions. Those results will be described in a future publication. This project is an excellent example of a collaboration between academia and industry, which was funded by the Aargau Research Fund. The interest of academia is to study and understand all physical and chemical processes involved, whereas industry is interested in generating a robust and simple to use tool to improve scale-up and make reliable predictions.

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New Scale-Up Technologies for Multipurpose Pharmaceutical Production Plants: Use Case of a Heterogeneous Hydrogenation Process

Furrer

Levis

Berger

et al. 2023

Org. Process Res. Dev.

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Minimizing the effort associated with the pilot and laboratory-scale experiments needed for a successful scale-up of a process from laboratory to production scale is a significant challenge in process development. Efficient scale-up is becoming increasingly important in process development due to the growing pressure to reduce costs and timelines while achieving a first-time-right approach. This article describes innovative technologies that enable direct and efficient process scale-up from the laboratory to production scale, while concurrently optimizing scale-dependent parameters through in-depth process understanding. Those technologies include a dynamic process model (based on a digital twin) and a laboratory-scale imitation (Scale-Down-Reactor) of a specific production-scale reactor (4000 L). The core component of the Scale-Down-Reactor is a 3D-printed metallic insert (H/C-Finger), designed to replicate the heat transfer behavior of the production reactor by maintaining a similar heat transfer coefficient and surface-to-volume ratio. In order to maintain comparable gas–liquid mass transfer between the scales, the Scale-Down-Reactor was designed with geometric similarity to its large-scale counterpart. Both mass transfer and heat transfer were experimentally evaluated for the two scales, and the comparison demonstrated an excellent agreement. To finally prove and validate the concept, a hydrogenation process currently running at the production scale was conducted in the Scale-Down-Reactor. As a second technology, a dynamic process model is described that includes a kinetic model of the chemical reactions and a heat/mass transfer model (digital twin) of the aforementioned production-scale reactor. For the gas–liquid mass transfer model, an improved mathematical description (equation) was developed. Moreover, the production-scale hydrogenation process conditions were efficiently optimized using the dynamic process model. The measured reaction mixture temperature profile of the optimized production batch demonstrated excellent agreement with the profile predicted by the dynamic process model. By enabling direct and efficient process scale-up while concurrently optimizing scale-dependent parameters, the technologies described within this article offer a promising approach to reducing costs and timelines while improving process understanding.

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Kinetische Parameteridentifikation und Modelldiskriminierung am Beispiel der nassen Oxidation von Thiosulfat

Cited by 3 publications

References 13 publications

Kinetics of Ammonium Thiosulfate Wet Air Oxidation under High‐Temperature Conditions

Kinetics of Ammonium Thiosulfate Wet Air Oxidation under High‐Temperature Conditions

New Scale-Up Technologies for Hydrogenation Reactions in Multipurpose Pharmaceutical Production Plants

New Scale-Up Technologies for Multipurpose Pharmaceutical Production Plants: Use Case of a Heterogeneous Hydrogenation Process

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