基于格子Boltzmann方法的吸热反应双颗粒沉降模拟

doi:10.16085/j.issn.1000-6613.2024-1801

摘要/Abstract

摘要：

双颗粒沉降问题是研究颗粒两相流系统流体力学行为的经典算例。为探究反应过程中热对流的影响，本文采用浸入边界-格子Boltzmann方法对耦合化学反应的催化剂双颗粒沉降过程进行了直接数值模拟，研究中低格拉晓夫数 $G r$ 下吸热反应对颗粒-流体间相互作用和颗粒运动行为的影响。结果表明，反应颗粒的沉降运动受颗粒雷诺数 $R e$ 、 $G r$ 和达姆科勒数 $D a$ 的协同影响。由于热流体中发生吸热反应的颗粒所受热浮力与重力方向一致，随着 $G r$ 的增加，颗粒沉降速度增加，两颗粒出现横向振荡行为，并在热对流的作用下相互远离。根据颗粒 $R e$ 的大小，颗粒运动模式可以分为三个阶段，随着 $R e$ 的增大，热对流的影响逐渐减弱，颗粒惯性作用占主导。 $D a$ 主要影响颗粒周围的热对流，当颗粒表面发生快速反应时，颗粒周围流体温度梯度增大，颗粒-颗粒间相互作用增强。

关键词: 浸入边界格子Boltzmann方法, 流体动力学, 颗粒流, 传热

Abstract:

The knowledge on the sedimentation of double particles is important in particulate two-phase flows research. In this work, the sedimentation process of dual catalyst particles coupled with chemical reactions was numerically investigated by a particle-resolved immersed boundary-lattice Boltzmann method (IB-LBM) with multiple-relaxation-time scheme. The effects of endothermic reactions on particle hydrodynamic behavior and particle-fluid interaction under medium and low Grashof numbers (Gr) were studied. The results showed that the hydrodynamic behavior of settling reactive particles was influenced by the synergistic effects of particle Gr, Reynolds number (Re), and Damköhler number (Da). For the catalyst particles with surface endothermic reaction, the thermal buoyancy was in the same direction as gravity. With the increase of Gr, the vertical velocity increased, and then the two separated and settled into a more or less fixed longitudinal separation under the effect of thermal convection. In the meantime, both the two particles oscillated laterally with the same frequency. Depending on the magnitude of particle Re, the particle motion mode can be divided into three regimes. With the increase in Re, the effect of thermal convection decreased gradually with the increase of the particle inertia. Da impacted the thermal convection around the particles, leading to an increase in temperature gradient of the fluid surrounding the particles and an enhancement in particle-particle interaction.

Key words: immersed boundary-lattice Boltzmann method, hydrodynamics, granular flow, heat transfer

中图分类号:

O359

宋祎祺, 李雪, 叶茂, 刘中民. 基于格子Boltzmann方法的吸热反应双颗粒沉降模拟[J]. 化工进展, 2025, 44(5): 2984-2996.

SONG Yiqi, LI Xue, YE Mao, LIU Zhongmin. Particle-resolved lattice Boltzmann simulations for sedimentation of catalyst particles with endothermic reaction[J]. Chemical Industry and Engineering Progress, 2025, 44(5): 2984-2996.

图/表 14

图1 二维圆形颗粒在矩形通道中的沉降运动示意图

图2 IBM处理颗粒边界结点示意图

图3 矩形通道内反应物浓度等值线图

图4 反应颗粒绕流反应物浓度分布

图5 两颗粒在Gr=0和Gr=100、量纲为1时的垂直沉降速度随时间的变化情况

图6 两颗粒在Re=75、Gr=250时的浓度和温度分布云图（量纲为1）

图7 Re=75、Da=3000时Gr对颗粒的量纲为1垂直位置、颗粒间距及曳力系数的影响

图8 Re=75、Gr=250时Da对颗粒的量纲为1垂直位置、颗粒间距及曳力系数的影响

图9 Re=35、Da=3000时不同Gr对颗粒的量纲为1垂直位置、水平位置、颗粒间距及曳力系数的影响

图10 Re=35、Gr=250时不同Da对颗粒的量纲为1垂直位置、水平位置、颗粒间距及曳力系数的影响

图11 Re=3、Da=0时两颗粒量纲为1位置和颗粒间距

图12 Gr=0和Gr=250时流场中的涡量云图和速度矢量图（Da=0，t Uref/Dref=1.6）

图13 Da=0和Da=6000时流场中温度分布和速度矢量图（Gr=500）

图14 两颗粒在Re=3、Da=6000时的颗粒量纲为1位置

参考文献 29

1	LIN Shanfan, ZHI Yuchun, LIU Zhiqiang, et al. Multiscale dynamical cross-talk in zeolite-catalyzed methanol and dimethyl ether conversions[J]. National Science Review, 2022, 9(9): nwac151.
2	TIAN Peng, WEI Yingxu, YE Mao, et al. Methanol to olefins (MTO): From fundamentals to commercialization[J]. ACS Catalysis, 2015, 5(3): 1922-1938.
3	VOGT Eelco, WECKHUYSEN Bert M. Fluid catalytic cracking: recent developments on the grand old lady of zeolite catalysis[J]. Chemical Society Reviews, 2015, 44(20): 7342-7370.
4	CHEN Meng, CHEN Zhao, TANG Yaping, et al. CFD-DEM simulation of particle coating process coupled with chemical reaction flow model[J]. International Journal of Chemical Reactor Engineering, 2021, 19(4): 393-413.
5	ZHU Litao, PAN Hui, SU Yuanhai, et al. Effect of particle polydispersity on flow and reaction behaviors of methanol-to-olefins fluidized bed reactors[J]. Industrial & Engineering Chemistry Research, 2017, 56(4): 1090-1102.
6	ZHANG Jingyuan, LU Bona, CHEN Feiguo, et al. Simulation of a large methanol-to-olefins fluidized bed reactor with consideration of coke distribution[J]. Chemical Engineering Science, 2018, 189: 212-220.
7	HU Dongfang, HAN Guodong, LUNGU Musango, et al. Experimental investigation of bubble and particle motion behaviors in a gas-solid fluidized bed with side wall liquid spray[J]. Advanced Powder Technology, 2017, 28(9): 2306-2316.
8	JOSEPH Daniel D, FORTES Antonio F, LUNDGREN T P, et al. Nonlinear mechanics of fluidization of spheres, cylinders, and disks in water[J]. Physics of Fluids, 1987, 30(9): 2599-2599.
9	FENG James J, HU Howard H, JOSEPH Daniel D. Direct simulation of initial value problems for the motion of solid bodies in a Newtonian fluid Part 1. Sedimentation[J]. Journal of Fluid Mechanics, 1994, 261: 95-134.
10	AIDUN Cyrus K, DING E Jiang. Dynamics of particle sedimentation in a vertical channel: Period-doubling bifurcation and chaotic state[J]. Physics of Fluids, 2003, 15(6): 1612-1621.
11	NIE Deming, LIN Jianzhong, GAO Qi. Settling behavior of two particles with different densities in a vertical channel[J]. Computers & Fluids, 2017, 156: 353-367.
12	GHOSH Sudeshna, KUMAR Manish. Study of drafting, kissing and tumbling process of two particles with different sizes and densities using immersed boundary method in a confined medium[J]. Applied Mathematics and Computation, 2020, 386: 125411.
13	GAN Hui, CHANG Jianzhong, FENG James J, et al. Direct numerical simulation of the sedimentation of solid particles with thermal convection[J]. Journal of Fluid Mechanics, 2003, 481: 385-411.
14	FENG Zhigang, MICHAELIDES Efstathios E. Inclusion of heat transfer computations for particle laden flows[J]. Physics of Fluids, 2008, 20(4): 040604.
15	ESHGHINEJADFARD A, THÉVENIN D. Numerical simulation of heat transfer in particulate flows using a thermal immersed boundary lattice Boltzmann method[J]. International Journal of Heat and Fluid Flow, 2016, 60: 31-46.
16	YANG Bo, CHEN Sheng, CAO Chuansheng, et al. Lattice Boltzmann simulation of two cold particles settling in Newtonian fluid with thermal convection[J]. International Journal of Heat and Mass Transfer, 2016, 93: 477-490.
17	LIU Ming, SHEN Zhongjie, LIANG Qinfeng, et al. Particle fluctuating motions induced by gas-solid phase reaction[J]. Chemical Engineering Journal, 2020, 388: 124348.
18	ZHANG Hancong, LUO Kun, HAUGEN Nils Erland L, et al. Drag force for a burning particle[J]. Combustion and Flame, 2020, 217: 188-199.
19	Zhisong OU, GUO Liejin, CHI Cheng, et al. Interface-resolved direct numerical simulations of interphase momentum, heat, and mass transfer in supercritical water gasification of coal[J]. Physics of Fluids, 2022, 34(10): 103319.
20	ZHAO Zelin, XU Zhiguo. Direct simulation on particle sedimentation mechanisms in corrosive liquids[J]. Powder Technology, 2022, 404: 117503.
21	LI Like, MEI Renwei, KLAUSNER James F. Boundary conditions for thermal lattice Boltzmann equation method[J]. Journal of Computational Physics, 2013, 237: 366-395.
22	LI Like, MEI Renwei, KLAUSNER James F. Lattice Boltzmann models for the convection-diffusion equation: D2Q5 vs D2Q9[J]. International Journal of Heat and Mass Transfer, 2017, 108: 41-62.
23	HUANG Rongzong, WU Huiying. A modified multiple-relaxation-time lattice Boltzmann model for convection-diffusion equation[J]. Journal of Computational Physics, 2014, 274: 50-63.
24	GLOWINSKI R, PAN T W, HESLA T I, et al. A fictitious domain approach to the direct numerical simulation of incompressible viscous flow past moving rigid bodies: Application to particulate flow[J]. Journal of Computational Physics, 2001, 169(2): 363-426.
25	FENG Zhigang, MICHAELIDES Efstathios E. The immersed boundary-lattice Boltzmann method for solving fluid-particles interaction problems[J]. Journal of Computational Physics, 2004, 195(2): 602-628.
26	RAHMAN NEZHAD Javad, Ali MIRBOZORGI Seyed. An immersed boundary-lattice Boltzmann method to simulate chaotic micromixers with baffles[J]. Computers & Fluids, 2018, 167: 206-214.
27	REN Weiwei, SHU Chang, YANG Wenming. An efficient immersed boundary method for thermal flow problems with heat flux boundary conditions[J]. International Journal of Heat and Mass Transfer, 2013, 64: 694-705.
28	KANG Qinjun, LICHTNER Peter C, ZHANG Dongxiao. Lattice Boltzmann pore-scale model for multicomponent reactive transport in porous media[J]. Journal of Geophysical Research: Solid Earth, 2006, 111(B5): B05203.
29	MOLINS Sergi, SOULAINE Cyprien, PRASIANAKIS Nikolaos I, et al. Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: Review of approaches and benchmark problem set[J]. Computational Geosciences, 2021, 25(4): 1285-1318.

[1]	马梓轩, 施瑞晨, 刘明杰, 杨莹杰, 宋子瑜, 梅晓鹏, 高晓峰, 洪龙城, 姚思宇, 张治国, 任其龙. 环烷烃催化制氢反应器的设计与性能优化：前沿进展与挑战[J]. 化工进展, 2025, 44(5): 2919-2937.
[2]	孟凡志, 孙冰, 杨哲. 原料替代对化工生产过程新工艺安全的影响与风险评估[J]. 化工进展, 2025, 44(5): 2955-2971.
[3]	王磊, 王艳, 甘玉凤, 罗凯, 费华, 栾俨丁. 水平流向不同小流道加热管内超临界CO₂的传热特性[J]. 化工进展, 2025, 44(4): 1945-1956.
[4]	王佳琪, 刘佳兴, 魏皓琦, 周昕霖, 程传晓, 葛坤. 鼠李糖脂强化CO₂水合物生成[J]. 化工进展, 2025, 44(4): 1998-2007.
[5]	袁梦丽, 宋云彩, 李文英, 冯杰. 光热驱动褐煤固定床气化过程热质传递规律[J]. 化工进展, 2025, 44(4): 2008-2019.
[6]	王美杰, 韦刘轲, 贾保印, 蓝兴英, 高金森, 石孝刚. LNG开架式气化器传热强化的研究进展[J]. 化工进展, 2025, 44(3): 1206-1217.
[7]	张喆, 纪献兵, 杨聿昊, 刘家璇, 姚泊丞. 多尺度结构烧结沟槽表面沸腾传热性能[J]. 化工进展, 2025, 44(2): 669-676.
[8]	王思懿, 许建良, 代正华, 武国义, 王辅臣. 多晶硅还原炉气相沉积反应数值模拟[J]. 化工进展, 2025, 44(2): 706-716.
[9]	李昊阳, 李洪伟, 谭建宇. 瞬态振荡加热条件下沸腾气泡运动特性[J]. 化工进展, 2025, 44(2): 735-742.
[10]	白依冉, 翟玉玲, 戴晶慧, 李舟航. 微纳尺度池沸腾表面润湿性的气泡成核及强化传热机制[J]. 化工进展, 2025, 44(2): 743-751.
[11]	孙建辰, 杨捷, 李军, 孙会东, 牛俊敏, 廖逸飞, 任俊颖, 商辉. 催化剂颗粒排列方式对微波加热效果的影响[J]. 化工进展, 2025, 44(1): 57-65.
[12]	蔡楷楠, 陈健勇, 陈颖, 罗向龙, 梁颖宗, 何嘉诚. 非共沸工质在分液板式冷凝器中的热力性能[J]. 化工进展, 2025, 44(1): 48-56.
[13]	张天昊, 李双喜, 贾祥际, 胡鼎国, 崔瑞焯, 李世聪. 干摩擦釜用机械密封DLC涂层-石墨配副摩擦磨损与温度变形场分析[J]. 化工进展, 2024, 43(S1): 121-133.
[14]	张青, 黄理浩, 陶乐仁, 朱天意, 金云飞. R513A在不同肋结构水平管内的流动沸腾换热性能[J]. 化工进展, 2024, 43(S1): 134-143.
[15]	苏瑶, 陈占秀, 杨历, 邢赫威, 呼和仓, 李源华. 热源温度对非对称纳米通道流动换热的影响[J]. 化工进展, 2024, 43(S1): 144-153.