3D coarse-grained DPM simulation of the MIP reaction-regeneration loop--颗粒学报PARTICUOLOGY

Ye, Y., Zhang, S., Xu, J., & Ge, W. (2024). 3D coarse-grained DPM simulation of the MIP reaction-regeneration loop. Particuology, 89, 57-66. https://doi.org/10.1016/j.partic.2023.09.019

3D coarse-grained DPM simulation of the MIP reaction-regeneration loop

Yanhao Ye^{a b 1}, Shuai Zhang^{a 1}, Ji Xu^a *, Wei Ge^{a b *}

a State Key Laboratory of Mesoscience and Engineering (formerly State Key Laboratory of Multiphase Complex Systems), Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190, China
b School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China

10.1016/j.partic.2023.09.019

Volume 89, June 2024, Pages 57-66

Received 31 July 2023, Revised 12 September 2023, Accepted 26 September 2023, Available online 20 October 2023, Version of Record 6 December 2023.

E-mail: xuji@ipe.ac.cn; wge@ipe.ac.cn

Highlights

• Discrete simulation of industrial-scale maximizing iso-paraffins full-loop simulation.

• Two-way hydrodynamic coupling between reactor and regenerator.

• A novel soft-shell coarse-grained model applied to reach a coarse-grain ratio of 800.

• Measurements of hydrodynamic properties and catalyst residence time in the loop.

Abstract

The reactor-regenerator loop is the core facility of the maximizing iso-paraffin (MIP) process. Although the discrete particle method (DPM) simulation can provide detailed information at the particle scale, it has been unable to simulate such a complex loop system due to limitations of coarse-grained (CG) models, computing software, and hardware. In this study, a newly proposed soft-shell CG-DPM model with a CG ratio of up to 800 is used to simulate a 3.5 Mt/a industrial-scale MIP reactor-regenerator loop. The solid fraction distribution obtained is found to agree well with in-situ measurements. Hydrodynamic properties including the distribution of solid fraction, gas and solid velocity, standard derivation of solid fraction with time, temporal distribution of the flow field, and particle residence time distribution are measured in the simulation, which are meaningful to better design and operate such systems in the future.

Graphical abstract

Keywords

Discrete particle method; Coarse-grain; Maximizing iso-paraffins; Full-loop; Reaction-regeneration system

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