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Publisher DOI: 10.3390/pr10102140
Title: Use of multiscale data-driven surrogate models for flowsheet simulation of an industrial zeolite production process
Language: English
Authors: Skorych, Vasyl 
Buchholz, Moritz  
Dosta, Maksym 
Baust, Helene Katharina 
Gleiß, Marco 
Haus, Johannes 
Weis, Dominik 
Hammerich, Simon 
Kiedorf, Gregor 
Asprion, Norbert 
Nirschl, Hermann 
Kleine Jäger, Frank 
Heinrich, Stefan 
Keywords: flowsheet simulation; zeolite production; data-driven modeling; synthesis; solid-liquid separation; spray drying; kiln; multiscale modeling
Issue Date: 20-Oct-2022
Publisher: Multidisciplinary Digital Publishing Institute
Source: Processes 10 (10): 2140 (2022)
Abstract (english): 
The production of catalysts such as zeolites is a complex multiscale and multi-step process. Various material properties, such as particle size or moisture content, as well as operating parameters - e.g., temperature or amount and composition of input material flows - significantly affect the outcome of each process step, and hence determine the properties of the final product. Therefore, the design and optimization of such processes is a complex task, which can be greatly facilitated with the help of numerical simulations. This contribution presents a modeling framework for the dynamic flowsheet simulation of a zeolite production sequence consisting of four stages: precipitation in a batch reactor; concentration and washing in a block of centrifuges; formation of droplets and drying in a spray dryer; and burning organic residues in a chain of rotary kilns. Various techniques and methods were used to develop the applied models. For the synthesis in the reactor, a multistage strategy was used, comprising discrete element method simulations, data-driven surrogate modeling, and population balance modeling. The concentration and washing stage consisted of several multicompartment decanter centrifuges alternating with water mixers. The drying is described by a co–current spray dryer model developed by applying a two-dimensional population balance approach. For the rotary kilns, a multi-compartment model was used, which describes the gas–solid reaction in the counter–current solids and gas flows.
DOI: 10.15480/882.4672
ISSN: 2227-9717
Journal: Processes 
Other Identifiers: doi: 10.3390/pr10102140
Institute: Feststoffverfahrenstechnik und Partikeltechnologie V-3 
Mehrskalensimulation von Feststoffsystemen V-EXK1 (H) 
Document Type: Article
Project: Dynamisches Fließschemasimulationssystem für Feststoffprozesse 
License: CC BY 4.0 (Attribution) CC BY 4.0 (Attribution)
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