格子Boltzmann方法模拟咸水吸收CO2的Rayleigh对流过程

doi:10.16085/j.issn.1000-6613.2020-0626

摘要/Abstract

摘要：

由溶解的CO₂引发的Rayleigh对流，对咸水层中CO₂的捕获与封存至关重要。为了更加直观地了解该过程的混合规律和盐浓度变化带来的影响，本文采用格子Boltzmann方法（LBM）对该过程进行了模拟。通过建立包含密度和浓度分布函数的双分布模型，同时引入静电力和体积力等外力项，对293.15K、101kPa下有多个离散的CO₂扩散源时的浓度分布进行了模拟。结果表明，模拟得到的Rayleigh对流结构、对流发生时间、流场速度和瞬时传质通量的数量级与前人研究结果一致；在咸水吸收CO₂过程中，Rayleigh对流结构可有效强化传质；瞬时传质通量随着时间增长先减小后增大再减小，对应了Rayleigh对流结构产生、发展、稳定的变化过程。同时模拟CO₂在纯水和不同盐浓度咸水中的溶解过程结果表明，盐浓度的增加会延迟Rayleigh对流的开始时间、降低传质效率，这与前人的实验结果一致，模拟结果可为不同盐浓度咸水层中CO₂的封存提供指导。

关键词: 二氧化碳捕集与封存, 格子Boltzmann方法, 模拟, 吸收, Rayleigh对流, 传质

Abstract:

The Rayleigh convection and mass transfer process caused by the dissolved CO₂ is critical for the CO₂ capture and storage in the saline aquifers. In order to understand the mixing law and the effect of salt concentration on the process more intuitively, lattice Boltzmann method (LBM) was used to simulate the process. By establishing a double distribution model including density distribution function and concentration distribution function, and the external force terms such as electrostatic force and volume force were introduced into the collision equation and balance distribution function. The change of concentration field in the process of saline water absorbing CO₂ with multiple CO₂ diffusion sources at 293.15K and 101kPa was successfully simulated. The results showed that the structure of Rayleigh convection, the start time of convection, the velocity of flow field and the order of magnitude of instantaneous mass transfer flux were consistent with the previous research results. The Rayleigh convection structure can greatly promote the mass transfer rate of CO₂ absorption in saline water and the instantaneous mass transfer flux increases in the beginning and then decreases with time, which corresponds to the generation, development and stability of Rayleigh convection structure. Simulated dissolution process of CO₂ in different salt concentration solutions also showed that the increase of salt concentration will delay the start time of Rayleigh convection and reduce mass transfer rate, which is consistent with experimental results. The simulation results can also provide guidance for the storage process of CO₂ in different saline aquifers.

Key words: CO₂ capture and storage, lattice Boltzmann method, simulation, absorption, Rayleigh convection, mass transfer

中图分类号:

TQ021.4

付博, 田建昌, 刘菊, 张润叶, 陈慕华, 朱新宝. 格子Boltzmann方法模拟咸水吸收CO₂的Rayleigh对流过程[J]. 化工进展, 2021, 40(2): 642-651.

Bo FU, Jianchang TIAN, Ju LIU, Runye ZHANG, Muhua CHEN, Xinbao ZHU. Rayleigh convection of carbon dioxide absorption in saline water by lattice Boltzmann simulation[J]. Chemical Industry and Engineering Progress, 2021, 40(2): 642-651.

图/表 10

图1

图2

表1

图3

图4

图5

图6

图7

图8

图9

参考文献 44

25	DUAN Lianyun, ZHOU Gongdu. Intermolecular force, an important factor determining the properties of matter[J]. University Chemistry, 1989, 4(2): 1-7.
26	彭勇, 张富民, 许春慧, 等. CO₂和N₂O在Kureha活性炭上吸附行为的对比研究[C]//第五届全国化工年会论文集. 西安, 2008.
	PENG Yong, ZHANG Fumin, XU Chunhui, et al. Comparison of adsorption behaviors of CO₂and N₂O on Kureha activated carbon[C]// Paper collection of the 5th National Chemical Industry Annual Meeting. Xi’an, 2008.
27	ALLEN M P, TILDESLAY D J. Computer simulation of liquids[M]. Oxford: Clarendon Press, 1987.
28	付博, 袁希钢, 陈淑勇, 等. Rayleigh对流及其对界面传质影响模拟的格子Boltzmann方法[J]. 化工学报, 2011, 62(11): 2995-3000.
	FU Bo, YUAN Xigang, CHEN Shuyong, et al. Rayleigh convection and its effect on interfacial mass transfer by lattice Boltzmann simulation[J]. CIESC Journal, 2011, 62(11): 2995-3000.
29	SHAN Xiaowen. Simulation of Rayleigh-Bénard convection using a lattice Boltzmann method[J]. Physical Review E, 1997, 55(3): 2780-2788.
30	SHAN Xiaowen, DOOLEN G. Multicomponent lattice Boltzmann model with interparticle interaction[J]. Journal of Statistical Physics, 1995, 81(1/2): 379-393.
31	INANURO T, YOSHINO M, OGINO F. A non-slip boundary condition for lattice Boltzmann simulations[J]. Physics of Fluids, 1996, 8(4): 2928-2930.
32	SHI Yong, ZHAO Tianshou, GUO Zhixiong. Finite difference-based lattice Boltzmann simulation of natural convection heat transfer in a horizontal concentric annulus[J]. Computers & Fluids, 2006, 35(1): 1-15.
33	SUKOP M C, THORNE D T. Lattice Boltzmann modeling: an introduction for geoscientists and engineers[M]. Berlin, Heidelberg, New York: Springer, 2006.
34	刘光启, 马连湘, 刘杰, 等. 化学化工物性数据手册·无机卷[M]. 北京: 化学工业出版社, 2002.
1	康丽娜, 尚会建, 郑学明. CO₂的捕集封存技术进展及在我国的应用前景[J]. 化工进展, 2010, 29(S1): 24-27.
	KANG Lina, SHANG Huijian, ZHENG Xueming, et al. Development of carbon dioxide capture and storage technology and its application prospect in China[J]. Chemical Industry and Engineering Progress, 2010, 29(S1): 24-27.
2	SMYTH R C, MECKEL T A. Best management practices for subseabed geologic sequestration of carbon dioxide[M]. USA: IEEE, 2012.
3	LEUNG D Y C, CARAMANNA G, MAROTO-VALER M. An overview of current status of carbon dioxide capture and storage technologies[J]. Renewable and Sustainable Energy Review, 2014, 39: 426-443.
4	LINDERBERG E, WESSELBERG D. Vertical convection in an aquifer column under a gas cap of CO₂[J]. Energy Conversion and Management, 1997, 38(96): s229-s234.
5	WEIR G J, WHITE S P, KISSLING W M, et al. Reservoir storage and containment of greenhouse gases[J]. Energy Conversion and Management, 1995, 36(6): 531-534.
6	傅强, 张会书, 胡楠, 等. 水溶解CO₂过程界面对流现象的PIV/LIF测量及传质系数预测[J]. 化工学报, 2018, 69(2): 586-594.
	FU Qiang, ZHANG Huishu, HU Nan, et al. Simultaneous PIV/LIF measurements of interfacial convection during CO₂ dissolution in water and prediction of mass transfer coefficient[J]. CIESC Journal, 2018, 69(2): 586-594.
7	ENNIS-KING J, PRESTON I, PATERSON L. Onset of convection in anisotropic porous media subject to a rapid change in boundary conditions[J]. Physics of Fluids, 2005, 17(8): 84-107.
8	KHOSROKHAVAR R, ELSINGA G, FARAJZADEH R, et al. Visualization and investigation of natural convection flow of CO₂ in aqueous and oleic systems[J]. Journal of Petroleum Science & Engineering, 2014, 122(21): 230-239.
9	KNEAFSEY T J, PRUESS K. Laboratory flow experiments for visualizing carbon dioxide-induced, density-driven brine convection[J]. Transport in Porous Media, 2010, 82(1): 123-139.
10	SOROUSH M, WESSEL-BERG D, OLE T, et al. Affecting parameters in density driven convection mixing in CO₂ storage in brine[C]// SPE Europec/Eage Conference. Copenhagen Denmark: Society of Petroleum Engineers, 2012.
11	ABAD M S N, ROSTAMI B, PAZHOOHAN J. Experimental study of the impact of salinity and temperature on convection mechanism during CO₂ storage in saline aquifers[C]// Proceedings of the 78th EAGE Conference and Exhibition, Vienna, Austria: European Association of Geoscientists & Engineers, 2016.
12	KHOSROKHAVAR R, EFTEKHARI A, FARAJZDADEH R, et al. Effect of salinity and pressure on the rate of mass transfer in aquifer storage of CO₂[C]// IOR 2015-18th European Symposium on Improved Oil Recovery, Dresden, Germany: Springer International Publishing, 2016.
13	MACMINN C W, SZULCZEWSKI M L, JUANES R. CO₂ migration in saline aquifers: regimes in migration with dissolution[J]. Energy Procedia, 2011, 4: 3904-3910.
14	XU Xiaofeng, CHEN Shiyi, ZHANG Dongxiao. Convective stability analysis of the long-term storage of carbon dioxide in deep saline aquifers[J]. Advances in Water Resources, 2006, 29(3): 397-407.
15	PRUESS K, ZHANG Keni. Numerical modeling studies of the dissolution-diffusion-convection process during CO₂ storage in saline aquifers[C]//Technical Report LBNL1243E, Lawrence Berkeley National Laboratory, California, 2008.
16	张潇丹, 雍玉梅, 李文军, 等. REV尺度多孔介质格子Boltzmann方法的数学模型及应用的研究进展[J]. 化工进展, 2016, 35(6): 1698-1712.
	ZHANG Xiaodan, YONG Yumei, LI Wenjun, et al. Models and application of lattice Boltzmann method at REV-scale in porous media[J]. Chemical Industry and Engineering Progress, 2016, 35(6): 1698-1712.
17	INAMURO T, YOSHINO M, INOUE H, et al. A lattice Boltzmann method for a binary miscible fluid mixture and its application to a heat-transfer problem[J]. Journal of Computational Physics, 2002, 179(1): 201-215.
18	QIAN Y H, D’HUMIERES D, LALLEMAND P. Lattice BGK models for Navier-Stokes equation[J]. Europhysics Letters, 1992, 17(6): 479-484.
19	郭照立, 郑楚光. 格子Boltzmann方法的原理及应用[M]. 北京: 科学出版社, 2009: 156-157.
	GUO Zhaoli, ZHENG Chuguang. The principle and application of lattice Boltzmann method[M]. Beijing: Science Press, 2009: 156-157.
20	GUO Zhaoli, SHI Baochang, WANG Nengchao. Fully Lagrangian and lattice Boltzmann methods for the advection-diffusion equation[J]. Journal of Scientific Computing, 1999, 14(3): 291-300.
21	BUICK J M, GREATED C A. Gravity in a lattice Boltzmann model[J]. Physical Review E: Statistical Physics Plasmas Fluids & Related Interdisciplinary Topics, 2000, 61(5A): 5307-5320.
22	CHALBAUD C, ROBIN M, LOMBARD J M, et al. Interfacial tension measurements and wettability evaluation for geological CO₂ storage[J]. Advances in Water Resources, 2009, 32(1): 98-109.
23	AGGELOPOULOS C A, ROBIN M, PERFETTI E, et al. CO₂/CaCl₂ solution interfacial tensions under CO₂ geological storage conditions: influence of cation valence on interfacial tension[J]. Advances in Water Resources, 2010, 33(6): 691-697.
24	AGGELOPOULOS C A, ROBIN M, VIZIKA O. Interfacial tension between CO₂ and brine (NaCl+CaCl₂) at elevated pressures and temperatures: the additive effect of different salts[J]. Advances in Water Resources, 2011, 34(4): 505-511.
25	段连运, 周公度. 决定物质性质的一种重要因素-分子间作用力[J]. 大学化学, 1989, 4(2): 1-7.
34	LIU Guangqi, MA Lianxiang, LIU Jie, et al. Physical property data manual of chemical industry—Inorganic volume[M]. Beijing: Chemical Industry Press, 2002.
35	NIELSEN L C, BOURG I C, SPOSITO G. Predicting CO₂-water interfacial tension under pressure and temperature conditions of geologic CO₂ storage[J]. Geochimica et Cosmochimica Acta, 2012, 81: 1-38.
36	PARKINSON W J, DENEVERS N J. Partial molar volume of carbon dioxide in water solutions[J]. Industrial & Engineering Chemistry Research Fundamentals, 1969, 8(4): 709-713.
37	SHARYGIN A V, WOOD R H. Volumes and heat capacities of aqueous solutions of ammonium chloride from the temperatures 298.15K to 623K and pressures to 28MPa[J]. Journal of Chemical Thermodynamics, 1996, 28(8): 851-872.
38	FU Bo, LIU Botan, YUAN Xigang, et al. Modeling of Rayleigh convection in gas-liquid interfacial mass transfer using lattice Boltzmann method[J]. Chemical Engineering Research and Design, 2013, 91(3): 437-447.
39	THOMAS C, DEHAECK A, DEWIT A, et al. Convective dissolution of CO₂ in water and salt solutions[J]. International Journal of Greenhouse Gas Control, 2018, 72: 105-116.
40	沙勇, 李樟云, 林芬芬, 等. 气液传质界面湍动现象投影观察[J]. 化工学报, 2010, 61(4): 844-847.
	SHA Yong, LI Zhangyun, LIN Fenfen, et al. Shadowgraph observation on interfacial turbulence phenomena in gas-liquid mass transfer[J]. CIESC Journal, 2010, 61(4): 844-847.
41	GRAHN A. Two-dimensional numerical simulations of Marangoni-Bénard instabilities during liquid-liquid mass transfer in a vertical gap[J]. Chemical Engineering Science, 2006, 61(11): 3586-3592.
42	杨盼瑞, 郭会荣, 周倩, 等. 广泛温度和盐度条件下二氧化碳在盐水中的扩散系数[J]. 地质科技情报, 2018, 37(6): 258-263.
	YANG Panrui, GUO Huirong, ZHOU Qian, et al. Diffusion coefficient of carbon dioxide in brine in wide temperature and salinity ranges: measurement and model calculation[J]. Geological Science and Technology Information, 2018, 37(6): 258-263.
43	LOODTS V, RONGY L, DEWIT A, et al. Impact of pressure, salt concentration, and temperature on the convective dissolution of carbon dioxide in aqueous solutions[J]. Chaos: An Interdisciplinary Journal of Nonlinea, 2014, 24(4): 1-12.
44	GEROGE S H P, BELL J B, PRUESS K, et al. High-resolution simulation and characterization of density-driven flow in CO₂ storage in saline aquifers[J]. Advances in Water Resources, 2010, 33(4): 443-455.

盐浓度 /mol·L^-1	溶液密度 /kg·m^-3	密度差 /kg·m^-3	溶解度 /kg·m^-3	扩散系数 /×10^-9m²·s^-1	动力黏度 /mPa·s
0.0	998.50	0.32	1.72	1.75	1.10
0.5	1018.2	0.29	1.58	1.56	1.11
1.0	1038.1	0.27	1.41	1.39	1.21
1.5	1058.1	0.25	1.29	1.24	1.27
2.0	1077.5	0.24	1.19	1.11	1.32
2.5	1096.1	0.22	1.10	0.99	1.40
3.0	1114.2	0.21	1.01	0.88	1.50

[1]	郭凡辉, 武建军, 张海军, 郭旸, 刘虎, 张一昕. 煤气化细渣陶瓷膜真空脱水试验与数值模拟[J]. 化工进展, 2022, 41(8): 4047-4056.
[2]	范军领, 何昊, 张攀, 陈光辉. 局部磨损对α型旋风分离器内流场及分离性能的影响[J]. 化工进展, 2022, 41(8): 4025-4034.
[3]	肖毅, 王兵兵, 于旭亮, 王鑫, 蔡汉友. 换热壁面碳酸钙吸附与脱水行为的分子动力学[J]. 化工进展, 2022, 41(8): 4077-4085.
[4]	李艳平, 严大洲, 杨涛, 温国胜, 韩治成. 硅基电子气去除甲基氯硅烷的分子动力学模拟[J]. 化工进展, 2022, 41(8): 4375-4385.
[5]	冯颖, 赵孟杰, 崔倩, 解玉鞠, 张建伟, 董鑫. 分子模拟技术在壳聚糖功能材料开发和应用中的研究进展[J]. 化工进展, 2022, 41(8): 4241-4253.
[6]	付双成, 曹港, 陈强飞, 孙肖润, 偶国富, 周发戚, 李芦雨. 低温省煤器飞灰沉积阻塞机理分析及结构优化[J]. 化工进展, 2022, 41(8): 4035-4046.
[7]	杨磊, 宋金玲, 唐初阳, 于诗尧, 杨欣宇. 基于FUSION模型的碳基固废热解产物产率预测[J]. 化工进展, 2022, 41(7): 3966-3973.
[8]	姜华, 张子惠, 宫武旗, 常越勇. MVR分质提盐蒸发结晶系统设计及性能分析[J]. 化工进展, 2022, 41(7): 3947-3956.
[9]	张辛铖, 何林, 隋红, 李鑫钢. 重质油包水乳液破乳过程及降黏强化机制[J]. 化工进展, 2022, 41(7): 3534-3544.
[10]	古新, 张前欣, 王超鹏, 方运阁, 李宁, 王永庆. U形导流板换热器传热和阻力性能分析[J]. 化工进展, 2022, 41(7): 3465-3474.
[11]	王泽鹏, 苑中显, 王洁, 文鑫, 刘一默. 硅胶粒径对太阳能吸附制冷系统性能的影响[J]. 化工进展, 2022, 41(7): 3545-3552.
[12]	李钰璨, 胡定华, 刘锦辉. 氧化铝纳米流体液滴瞬态蒸发速率的演化特性分析[J]. 化工进展, 2022, 41(7): 3493-3501.
[13]	车中俊, 赵立新, 葛怡清. 磁场强化多相介质分离技术进展[J]. 化工进展, 2022, 41(6): 2839-2851.
[14]	于涵, 王宏, 朱恂, 丁玉栋, 陈蓉, 廖强. 静电喷雾沉积半径的预测模型[J]. 化工进展, 2022, 41(6): 2864-2870.
[15]	来奎, 王仕博, 徐建新, 肖清泰, 王华, 李春林. 不连续扰流板强化搅拌的模拟仿真及机理分析[J]. 化工进展, 2022, 41(6): 2871-2883.

格子Boltzmann方法模拟咸水吸收CO₂的Rayleigh对流过程

Rayleigh convection of carbon dioxide absorption in saline water by lattice Boltzmann simulation

RichHTML

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

图/表 10

参考文献 44

相关文章 15

Metrics

本文评价

推荐阅读 0