Use of multiscale data-driven surrogate models for flowsheet simulation of an industrial zeolite production process

Media type: E-Article

Title: Use of multiscale data-driven surrogate models for flowsheet simulation of an industrial zeolite production process

Contributor: Skorych, Vasyl [Author]; Buchholz, Moritz [Author]; Dosta, Maksym [Author]; Baust, Helene Katharina [Author]; Gleiß, Marco [Author]; Haus, Johannes [Author]; Weis, Dominik [Author]; Hammerich, Simon [Author]; Kiedorf, Gregor [Author]; Asprion, Norbert [Author]; Nirschl, Hermann [Author]; Kleine Jäger, Frank [Author]; Heinrich, Stefan [Author]

Corporation: Technische Universität Hamburg ; Technische Universität Hamburg, Institute of Solids Process Engineering & Particle Technology ; Technische Universität Hamburg, Multiscale Modeling of Solids Processes

Published: 2022

Language: English

DOI: 10.15480/882.4672; 10.3390/pr10102140

Identifier:

Keywords: flowsheet simulation ; zeolite production ; data-driven modeling ; synthesis ; solid-liquid separation ; spray drying ; kiln ; multiscale modeling

Origination:

Footnote: Sonstige Körperschaft: Technische Universität Hamburg
Sonstige Körperschaft: Technische Universität Hamburg, Institute of Solids Process Engineering & Particle Technology
Sonstige Körperschaft: Technische Universität Hamburg, Multiscale Modeling of Solids Processes

Description: 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.

Access State: Open Access

Rights information: Attribution (CC BY)

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