Modeling and simulation analysis of solar driven membrane separation biomethane hydrogen production process

doi:10.11949/0438-1157.20231248

Abstract

Abstract:

Solar-driven methane reforming for hydrogen production is one of the main technological pathways for solar fuels. The introduction of concentrating heat collection technology can realize the full spectrum utilization of solar energy, effectively improve the conversion efficiency of solar energy to fuel chemical energy, and significantly reduce system energy consumption. In this study, a novel design for solar-driven membrane reactor was proposed for hydrogen production by combining porous silicon carbide absorber and La_1-_x Sr _x Co_1-_y Fe _y O_3-_δ perovskite oxygen permeable membrane. The conceptual design of the reaction process was made, and a numerical model considering radiation heat transfer membrane separation reaction was established and simulated. The temperature uniformity of the membrane surface was evaluated, and the influence of temperature on the membrane reaction and outlet products was analyzed. The results demonstrate that this model can effectively and accurately describe the conceptual design process. The findings provide a theoretical basis and initial design approach for the design and scale-up of solar-driven high-temperature membrane reactors.

Key words: dynamic modeling, dynamic simulation, solar energy, methane partial oxidation, hydrogen production, oxygen permeable membrane, conceptual design

摘要：

光热驱动的甲烷重整制氢技术，是将太阳能转化为燃料的主要技术路径之一。引入聚光集热技术，可实现太阳能的全光谱利用，有效提高太阳能到燃料化学能的转化效率，同时显著降低系统能耗及碳排放。将多孔碳化硅吸热体和La_1-_x Sr _x Co_1-_y Fe _y O_3-_δ 钙钛矿透氧膜结合，提出一种光热驱动的膜反应制氢的设计思路，实现了连续、高效的制氢过程。完成了该反应过程的概念设计，建立考虑辐射-传热-膜分离-反应的数值模型并进行仿真模拟；重点评估了膜表面的温度均匀性，并分析温度对膜内反应及出口产物的影响规律。结果表明，该模型可以有效精准描述概念设计过程。研究成果可为光热驱动的高温膜反应器设计和放大提供理论依据以及初步设计方法。

关键词: 动态建模, 动态仿真, 太阳能, 甲烷部分氧化, 制氢, 透氧膜, 概念设计

CLC Number:

TB 116.2

Pei WANG, Ruiming DUAN, Guangru ZHANG, Wanqin JIN. Modeling and simulation analysis of solar driven membrane separation biomethane hydrogen production process[J]. CIESC Journal, 2024, 75(3): 967-973.

王沛, 段睿明, 张广儒, 金万勤. 光热驱动的膜分离生物甲烷制氢过程建模与仿真分析[J]. 化工学报, 2024, 75(3): 967-973.

Figures/Tables 12

Fig.1 Conceptual design of photothermal driven oxygen permeable membrane reactor

Table 1 Main geometric dimensions of reactor

参数	数值
反应器直径/mm	70
多孔SiC厚度/mm	50
透氧膜外径/mm	5
透氧膜内径/mm	4
透氧膜长度/mm	45
多孔SiC与透氧膜的距离/mm	5
透氧膜距反应器轴线距离/mm	20

Table 2 Parameters of reaction kinetics

参数	公式
正向反应速率常数/(cm/(atm^0.5⋅s))	$k f = 5.90 × 106 e x p - 27291 / T$
逆向反应速率常数/(mol/(cm²⋅s))	$k r = 2.07 × 104 e x p - 29023 / T$
氧空位的扩散系数/(cm²/s)	$D V = 1.58 × 10 - 2 e x p - 8852.5 / T$

Table 2 Parameters of reaction kinetics

参数	公式
正向反应速率常数/(cm/(atm^0.5⋅s))	$k f = 5.90 × 106 e x p - 27291 / T$
逆向反应速率常数/(mol/(cm²⋅s))	$k r = 2.07 × 104 e x p - 29023 / T$
氧空位的扩散系数/(cm²/s)	$D V = 1.58 × 10 - 2 e x p - 8852.5 / T$

Table 3 Boundary conditions of reactor

边界条件	数值
入射太阳辐射/W	4924
入口空气压力/atm	1
入口空气流速/(m/s)	1
入口空气温度/℃	28.5
入口空气中O₂质量分数	0.21
入口CH₄压力/atm	1
入口CH₄流速/(m/s)	0.2
入口CH₄温度/℃	20
入口CH₄中O₂质量分数	10^-6

Table 4 Grid independence test schemes

方案

网格数/个

出口H₂的平均

摩尔分数/%

出口CO的平均

摩尔分数/%

Table 5 Accuracy validation of model

温度/℃	$X C H 4$ /%			S_CO/%			H₂/CO
温度/℃	实验	Jin模型	本文模型	实验	Jin模型	本文模型	实验	Jin模型	本文模型
825	97.3	97.2	97.2	97	98.9	97.7	1.69	2	1.66
850	100	99.7	99.4	100	97.9	97.2	1.68	2	1.62
885	96.7	100	99.8	98	97.8	97.2	1.96	2	1.87

Table 5 Accuracy validation of model

温度/℃	$X C H 4$ /%			S_CO/%			H₂/CO
温度/℃	实验	Jin模型	本文模型	实验	Jin模型	本文模型	实验	Jin模型	本文模型
825	97.3	97.2	97.2	97	98.9	97.7	1.69	2	1.66
850	100	99.7	99.4	100	97.9	97.2	1.68	2	1.62
885	96.7	100	99.8	98	97.8	97.2	1.96	2	1.87

Fig.2 Heat flux distribution of porous SiC endothermic material

Fig.3 Temperature distribution of fluid in the reactor

Fig.4 Axial distribution of membrane surface temperature and oxygen flux near and away from the reactor axis

Fig.5 Molar fraction distribution of reactants and products

Fig.6 Molar fraction distribution of O2

Fig.7 Molar fraction of species at the outlet of the reactor

References 30

1	Bayon A, de la Calle A, Ghose K K, et al. Experimental, computational and thermodynamic studies in perovskites metal oxides for thermochemical fuel production: a review[J]. International Journal of Hydrogen Energy, 2020, 45(23): 12653-12679.
2	Wang P, Wei R K, Vafai K. A dual-scale transport model of the porous ceria based on solar thermochemical cycle water splitting hydrogen production[J]. Energy Conversion and Management, 2022, 272: 116363.
3	邢卫红, 汪勇, 陈日志, 等. 膜与膜反应器: 现状、挑战与机遇[J]. 中国科学: 化学, 2014, 44(9): 1469-1481.
	Xing W H, Wang Y, Chen R Z, et al. Membranes and membrane reactors: state of the art, challenges, and opportunities[J]. Scientia Sinica Chimica, 2014, 44(9): 1469-1481.
4	Wang Z G, Chen T J, Dewangan N, et al. Catalytic mixed conducting ceramic membrane reactors for methane conversion[J]. Reaction Chemistry & Engineering, 2020, 5(10): 1868-1891.
5	Dong X L, Jin W Q, Xu N P, et al. Dense ceramic catalyticmembranes and membrane reactors for energy and environmental applications[J]. Chemical Communications, 2011, 47(39): 10886-10902.
6	金万勤, 徐南平. 混合导体透氧膜材料的设计与应用[J]. 化工进展, 2006, 25(10): 1143-1151.
	Jin W Q, Xu N P. Design and application of oxygen-permeable membrane materials of mixed conducting oxides[J]. Chemical Industry and Engineering Progress, 2006, 25(10): 1143-1151.
7	Jin W, Gu X, Li S, et al. Experimental and simulation study on a catalyst packed tubular dense membrane reactor for partial oxidation of methane to syngas[J]. Chemical Engineering Science, 2000, 55(14): 2617-2625.
8	Jiang K P, Liu Z K, Zhang G R, et al. A novel catalytic membrane reactor with homologous exsolution-based perovskite catalyst[J]. Journal of Membrane Science, 2020, 608: 118213.
9	Zhu J W, Guo S B, Liu G P, et al. A robust mixed-conducting multichannel hollow fiber membrane reactor[J]. AIChE Journal, 2015, 61(8): 2592-2599.
10	Wang H S, Liu M K, Kong H, et al. Thermodynamic analysis on mid/low temperature solar methane steam reforming with hydrogen permeation membrane reactors[J]. Applied Thermal Engineering, 2019, 152: 925-936.
11	Wang B Z, Kong H, Wang H S, et al. Kinetic and thermodynamic analyses of mid/low-temperature ammonia decomposition in solar-driven hydrogen permeation membrane reactor[J]. International Journal of Hydrogen Energy, 2019, 44(49): 26874-26887.
12	Wang X C, Wang B Z, Wang M, et al. Cyclohexane dehydrogenation in solar-driven hydrogen permeation membrane reactor for efficient solar energy conversion and storage[J]. Journal of Thermal Science, 2021, 30(5): 1548-1558.
13	Kalogirou S A. Solar thermal collectors and applications[J]. Progress in Energy and Combustion Science, 2004, 30(3): 231-295.
14	Tou M, Michalsky R, Steinfeld A. Solar-driven thermochemical splitting of CO₂ and in situ separation of CO and O₂ across a ceria redox membrane reactor[J]. Joule, 2017, 1(1): 146-154.
15	Tou M, Jin J, Hao Y, et al. Solar-driven co-thermolysis of CO₂ and H₂O promoted by in situ oxygen removal across a non-stoichiometric ceria membrane[J]. Reaction Chemistry & Engineering, 2019, 4(8): 1431-1438.
16	Hosseini S E, Wahid M A. Hydrogen from solar energy, a clean energy carrier from a sustainable source of energy[J]. International Journal of Energy Research, 2020, 44(6): 4110-4131.
17	王沛, 李嘉宝, 赵亮, 等. 塔式太阳能熔盐吸热器传热特性及㶲分析[J]. 中国电机工程学报, 2019, 39(12): 3605-3614.
	Wang P, Li J B, Zhao L, et al. Thermal and exergy performance of molten salt external cylindrical receiver of solar power towers[J]. Proceedings of the CSEE, 2019, 39(12): 3605-3614.
18	Song H, Luo S Q, Huang H M, et al. Solar-driven hydrogen production: recent advances, challenges, and future perspectives[J]. ACS Energy Letters, 2022, 7(3): 1043-1065.
19	王沛, 李嘉宝, 周领, 等. 太阳能热化学反应器多场耦合及协同优化研究[J]. 太阳能学报, 2022, 43(9): 527-534.
	Wang P, Li J B, Zhou L, et al. Multi-field coupling modeling and cooperative optimization of solar thermal chemical reactor[J]. Acta Energiae Solaris Sinica, 2022, 43(9): 527-534.
20	Wang P, Li J B, Xu R N, et al. Non-uniform and volumetric effect on the hydrodynamic and thermal characteristic in a unit solar absorber[J]. Energy, 2021, 225: 120130.
21	Li J B, Wang P, Liu D Y. Optimization on the gradually varied pore structure distribution for the irradiated absorber[J]. Energy, 2022, 240: 122787.
22	Wu Z Y, Caliot C, Bai F W, et al. Experimental and numerical studies of the pressure drop in ceramic foams for volumetric solar receiver applications[J]. Applied Energy, 2010, 87(2): 504-513.
23	Wu Z Y, Caliot C, Flamant G, et al. Numerical simulation of convective heat transfer between air flow and ceramic foams to optimise volumetric solar air receiver performances[J]. International Journal of Heat and Mass Transfer, 2011, 54(7/8): 1527-1537.
24	Wang P, Vafai K, Liu D Y, et al. Analysis of collimated irradiation under local thermal non-equilibrium condition in a packed bed[J]. International Journal of Heat and Mass Transfer, 2015, 80: 789-801.
25	Hendricks T J, Howell J R. Absorption/scattering coefficients and scattering phase functions in reticulated porous ceramics[J]. Journal of Heat Transfer, 1996, 118(1): 79-87.
26	Tan X Y, Li K. Modeling of air separation in a LSCF hollow-fiber membrane module[J]. AIChE Journal, 2002, 48(7): 1469-1477.
27	Xu S J, Thomson W J. Oxygen permeation rates through ion-conducting perovskite membranes[J]. Chemical Engineering Science, 1999, 54(17): 3839-3850.
28	Tsai C Y. Perovskite dense membrane reactors for the partial oxidation of methane to synthesis gas[D]. Worcester: Worcester Polytechnic Institute, 1996.
29	Blanks R F, Wittrig T S, Peterson D A. Bidirectional adiabatic synthesis gas generator[J]. Chemical Engineering Science, 1990, 45(8): 2407-2413.
30	Habib M A, Haque M A, Harale A, et al. Palladium-alloy membrane reactors for fuel reforming and hydrogen production: hydrogen production modeling[J]. Case Studies in Thermal Engineering, 2023, 49: 103359.

[1]	Yibin DONG, Jingchao XIONG, Jingyu WANG, Shoukang WANG, Yafei WANG, Qunxing HUANG. LiDAR measurement based on model predictive control for boiler combustion optimization [J]. CIESC Journal, 2024, 75(3): 924-935.
[2]	Shihao LI, Zhenhua WU, Zhanfeng ZHAO, Hong WU, Dong YANG, Jiafu SHI, Zhongyi JIANG. Electron transfer, proton transfer and molecule transfer in chemical processes [J]. CIESC Journal, 2024, 75(3): 1052-1064.
[3]	Zhipeng LIU, Changying ZHAO, Rui WU, Zhihao ZHANG. Experimental study of gas-liquid flow visualization in gradient porous transport layers based on hydrogen production by water electrolysis [J]. CIESC Journal, 2024, 75(2): 520-530.
[4]	Zhanyu YE, He SHAN, Zhenyuan XU. Performance simulation of paper folding-like evaporator for solar evaporation systems [J]. CIESC Journal, 2023, 74(S1): 132-140.
[5]	Xin YANG, Wen WANG, Kai XU, Fanhua MA. Simulation analysis of temperature characteristics of the high-pressure hydrogen refueling process [J]. CIESC Journal, 2023, 74(S1): 280-286.
[6]	Jiahao SONG, Wen WANG. Study on coupling operation characteristics of Stirling engine and high temperature heat pipe [J]. CIESC Journal, 2023, 74(S1): 287-294.
[7]	Siyu ZHANG, Yonggao YIN, Pengqi JIA, Wei YE. Study on seasonal thermal energy storage characteristics of double U-shaped buried pipe group [J]. CIESC Journal, 2023, 74(S1): 295-301.
[8]	Congqi HUANG, Yimei WU, Jianye CHEN, Shuangquan SHAO. Simulation study of thermal management system of alkaline water electrolysis device for hydrogen production [J]. CIESC Journal, 2023, 74(S1): 320-328.
[9]	Cong QI, Zi DING, Jie YU, Maoqing TANG, Lin LIANG. Study on solar thermoelectric power generation characteristics based on selective absorption nanofilm [J]. CIESC Journal, 2023, 74(9): 3921-3930.
[10]	Yu FU, Xingchong LIU, Hanyu WANG, Haimin LI, Yafei NI, Wenjing ZOU, Yue LEI, Yongshan PENG. Research on F₃EACl modification layer for improving performance of perovskite solar cells [J]. CIESC Journal, 2023, 74(8): 3554-3563.
[11]	Weiming SHAO, Wenxue HAN, Wei SONG, Yong YANG, Can CHEN, Dongya ZHAO. Dynamic soft sensor modeling method based on distributed Bayesian hidden Markov regression [J]. CIESC Journal, 2023, 74(6): 2495-2502.
[12]	Xiaowen ZHOU, Jie DU, Zhanguo ZHANG, Guangwen XU. Study on the methane-pulsing reduction characteristics of Fe₂O₃-Al₂O₃ oxygen carrier [J]. CIESC Journal, 2023, 74(6): 2611-2623.
[13]	Yong LI, Jiaqi GAO, Chao DU, Yali ZHAO, Boqiong LI, Qianqian SHEN, Husheng JIA, Jinbo XUE. Construction of Ni@C@TiO₂ core-shell dual-heterojunctions for advanced photo-thermal catalytic hydrogen generation [J]. CIESC Journal, 2023, 74(6): 2458-2467.
[14]	Sheng’an ZHANG, Guilian LIU. Multi-objective optimization of high-efficiency solar water electrolysis hydrogen production system and its performance [J]. CIESC Journal, 2023, 74(3): 1260-1274.
[15]	Yue SONG, Qicheng ZHANG, Wenchao PENG, Yang LI, Fengbao ZHANG, Xiaobin FAN. Synthesis of MoS₂-based single atom catalyst and its application in electrocatalysis [J]. CIESC Journal, 2023, 74(2): 535-545.