Mesoscopic Simulation of CO2 Absorption by Tandem Porous CaO Particles at REV Scale

doi:10.19596/j.cnki.1001-246x.8822

Abstract

Abstract:

Based on the lattice Boltzmann method, the chemical reaction process of CO₂ absorption by tandem porous CaO particles is simulated at the scale of Representative Elementary Volume (REV) scale, and the influences of CaO porosity, particle diameter, and inter-particle arrangement of CaO particles on the conversion efficiency and the average conversion rate of particles are mainly investigated. The results show that the conversion efficiency of CaO particles first decreases and then increases with the increase of the porosity, which is attributed to differences in the initial amount of material and the internal gas-solid reaction rate of the particles due to the different porosities, and the competition between them affected the conversion efficiency. On the other hand, the larger the particle diameter, the lower the conversion efficiency. Specifically, the average conversion efficiency of the particles with 50 μm diameter is 8.4% higher than that of particles with 150 μm diameter, and the average conversion efficiency of particles with 150 μm diameter is 7.2% higher than that of the particles with 250 μm diameter. In addition, this work also investigates effect of the arrangement of particles on the average conversion rate. It is found that when the horizontal angle between particles changed from θ=0° to θ=10°, the average conversion rate can not be improved effectively with the increase of the angle due to the effect of the reflux vortex, and the average conversion rate is not improved with the increase of the angle between θ=10° and θ=40°. The average conversion between θ=0° and θ=10° is found not to be effectively improved due to the influence of the reflux vortex. And the average conversion between θ=10° and θ=40° is found to be significantly improved due to the fact that CaO particles at the rear are gradually moving away from the reflux zone, while the average conversion in the interval where the horizontal angle is larger than 40° is found to be maximized due to the fact that the average conversion is not changed with the angle. The simulation results can provide some theoretical guidance for CO₂ capture.

Key words: lattice Boltzmann method, adsorbents, porous media, CO₂ capture, chemical reaction

Shubao SUN, Qin LOU. Mesoscopic Simulation of CO₂ Absorption by Tandem Porous CaO Particles at REV Scale[J]. Chinese Journal of Computational Physics, 2025, 42(1): 65-76.

Figures/Tables 16

Fig.1 Schematics of physical model and computational parameters (a) inline case; (b)staggered case

Table 1 Conversion between lattice units and physical units

物理量	物理量符号	物理单位	格子单位	转换因子
计算域长度	L_x	3.6×10^-3 m	720	5×10^-6 m
计算域高度	L_y	1.8×10^-3 m	360	5×10^-6 m
颗粒直径	l_p	1.5×10^-4m	30	5×10^-6 m
入口CO₂流速	u₀	7.4×10^-3m·s^-1	0.074(Re=20)	0.1 m·s^-1
CO₂浓度	C₀	5.64 mol·m^-3	1	5.64 mol·m^-3
CO₂密度	ρ	1.977 kg·m^-3	1	1.977 kg·m^-3
CO₂黏度	v	8.37×10^-6m²·s^-1	0.037	2.26×10^-4 m²·s^-1
CaO物质的量	n₀	212.63 mol·m^-3	37.7(ε=0.2)	5.64 mol·m^-3

Table 2 Comparison of resistance coefficient data

	ε=0.01	ε=0.4	ε=0.6	ε=0.8
	Ref.[28]	Ref.[29]	Ref.[29]	Ref.[29]
	2.05	2.411	2.105	2.049
本文	2.053	2.423	2.136	2.083
相对误差/%	0.15	0.49	1.45	1.63

Fig.2 Concentration along y=0.5l

Fig.3 (a) Velocity and (b) concentration with different grids along y=0.5Ly

Fig.4 Time histories of (a) particle average conversion rate XS and (b) reaction rate PRs

Fig.5 Time histories of (a) amount of CaO and (b) CO2 concentration inside particles

Fig.6 Distribution of CO2 gas concentration inside CaO particles (a) ε=0.2;(b) ε=0.4;(c) ε=0.6;(d) ε=0.8

Fig.7 Time required for average particle conversion to reach 0.8 with ε=0.1-0.9

Fig.8 Time histories of average conversion XS under three particle diameters

Table 3 Comparison of resistance to flow

颗粒直径	流动阻力
l_p= 50 μm	4.66×10^-3
l_p=150 μm	8.37×10^-2
l_p=250 μm	3.92×10^-1

Fig.9 (a) Gas concentration along y=0.5Lx and (b) velocity along y=0.5Lx

Fig.10 Time required for average conversion rate to reach 0.8 under different CaO particle diameters with ε=0.1-0.9

Table 4 Percentage increment of conversion efficiency for different particle sizes

	ε=0.1	ε=0.2	ε=0.3	ε=0.4	ε=0.5	ε=0.6	ε=0.7	ε=0.8	ε=0.9	平均
150 μm比250 μm增量	9%	6.8%	7.7%	5.4%	5.3%	5.4%	5.9%	9.3%	10.3%	7.2%
50 μm比150μm增量	13.3%	9.8%	8.3%	7.5%	5.6%	7.5%	8.3%	7.7%	7.7%	8.4%

Fig.11 Time histories of particle average conversion rate under different horizontal angles

Fig.12 CO2 concentration inside CaO particle and streamline distribution at t=10 s (a) θ=0°; (b) θ=10°; (c) θ=20°; (d) θ=30°; (e) θ=40°; (f) θ=50°

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Mesoscopic Simulation of CO₂ Absorption by Tandem Porous CaO Particles at REV Scale

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