Numerical simulations of a single particle for CO2 capture based on MgO sorbent--颗粒学报PARTICUOLOGY

Zhu, L., Zhang, Y., Zhao, Z., Zhang, S., Zheng, C., Luo, K., & Gao, X. (2025). Numerical simulations of a single particle for CO2 capture based on MgO sorbent. Particuology, 100, 166-177. https://doi.org/10.1016/j.partic.2025.03.006

Numerical simulations of a single particle for CO₂ capture based on MgO sorbent

Linhang Zhu^a, You Zhang^a, Zhongyang Zhao^b, Shihan Zhang^d, Chenghang Zheng^{a b c}, Kun Luo^a, Xiang Gao^{a b c *}

a State Key Lab of Clean Energy Utilization, State Environmental Protection Engineering Center for Coal-Fired Air Pollution Control, Zhejiang University, Hangzhou, 310027, China
b Zhejiang Baima Lake Laboratory, Hangzhou, 310051, China
c Key Laboratory of Clean Energy and Carbon Neutrality of Zhejiang Province, Jiaxing Research Institute, Zhejiang University, Jiaxing, 314000, China
d Zhejiang University of Technology, Hangzhou, 310014, China

10.1016/j.partic.2025.03.006

Volume 100, May 2025, Pages 166-177

Received 12 January 2025, Revised 22 February 2025, Accepted 5 March 2025, Available online 18 March 2025, Version of Record 4 April 2025.

E-mail: xgao1@zju.edu.cn

Highlights

•Numerical model of a single particle was developed.

•Decarbonization performance of a single particle was investigated.

•Effects of particle size,gas velocity,and CO₂ mass fraction were studied.

•Correction formula for surface CO₂ concentration was proposed.

Abstract

To obtain a deeper understanding of the mass transfer between MgO-based sorbent particles and gaseous reactants (CO₂), it is essential to investigate the mass transfer characteristics of a single moving sorbent particle since most previous researches focused on the removal efficiency of the whole flow field and ignored the behavior of individual particles. Currently, most studies assumed that the reactant (CO₂) concentration across the particle surface is uniform based on the average concentration within the grid, while the reactant concentration on the particle surface changes as the particle moves. In this study, the gas-solid mass transfer between CO₂ and a moving MgO-based particle was investigated. The results indicated that the motion state and velocity of the particles significantly impact the CO₂ removal dynamics and noticeable differences in the CO₂ concentration gradient could be observed around the particle. Increasing the reaction temperature, enhancing the CO₂ mass fraction at the inlet, appropriately increasing the gas velocity, and selecting an appropriate particle size can significantly enhance the reaction rate,thereby improving the CO₂ removal efficiency. The correction formula for surface CO₂ concentration and mass transfer reaction rate was also proposed based on the particle's velocity and direction of movement. Based on the correction formula,more detailed guidance for optimizing reactor design could be obtained and the findings provide theoretical guide for designing CO₂ removal reactors.

Graphical abstract

Keywords

Single particle; CO₂ absorption; Particle motion; Gas-solid reaction

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