Numerical simulation of low-concentration CO2 adsorption on fixed bed using finite element analysis

doi:10.1016/j.cjche.2020.08.012

中国化学工程学报 ›› 2021, Vol. 36 ›› Issue (8): 47-56.DOI: 10.1016/j.cjche.2020.08.012

• Separation Science and Engineering • 上一篇下一篇

Numerical simulation of low-concentration CO₂ adsorption on fixed bed using finite element analysis

Yonghou Xiao^1,2, Shuang Qiu², Qidong Zhao², Yuhao Zhu², Chirag B. Godiya¹, Gaohong He^1,2,3

1 Panjin Institute of Industrial Technology, Dalian University of Technology, Panjin 124221, China;
2 State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Panjin 124221, China;
3 Supercomputing Center, Dalian University of Technology, Dalian 116000, China

收稿日期:2020-06-03 修回日期:2020-08-06 出版日期:2021-08-28 发布日期:2021-09-30
通讯作者: Yonghou Xiao, Gaohong He
基金资助:
This research was supported by the National Natural Science Foundation of China (21776028), Key Research and Development Projects of Liaoning Province (2017308004).

Numerical simulation of low-concentration CO₂ adsorption on fixed bed using finite element analysis

Yonghou Xiao^1,2, Shuang Qiu², Qidong Zhao², Yuhao Zhu², Chirag B. Godiya¹, Gaohong He^1,2,3

1 Panjin Institute of Industrial Technology, Dalian University of Technology, Panjin 124221, China;
2 State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Panjin 124221, China;
3 Supercomputing Center, Dalian University of Technology, Dalian 116000, China

Received:2020-06-03 Revised:2020-08-06 Online:2021-08-28 Published:2021-09-30
Contact: Yonghou Xiao, Gaohong He
Supported by:
This research was supported by the National Natural Science Foundation of China (21776028), Key Research and Development Projects of Liaoning Province (2017308004).

摘要/Abstract

摘要： Accurately predicting distributions of concentration and temperature field in fixed-bed column is essential for designing adsorption processes. In this study, a two-dimensional (2D), axisymmetric, nonisothermal, dynamic adsorption model was established by coupling equations of mass, momentum and energy balance, and solved by finite element analysis. The simulation breakthrough curves fit well with the low-concentration CO₂ adsorption experimental data, indicating the reliability of the established model. The distributions of concentration and temperature field in the column for CO₂ adsorption and separation from CO₂/N₂ were obtained. The sensitivity analysis of the adsorption conditions shows that the operation parameters such as feed flow rate, feed concentration, pellet size, and column height-to-diameter ratio produce a significant effect on the dynamic adsorption performance. The multi-physics coupled 2D axisymmetric model could provide a theoretical foundation and guidance for designing CO₂ fixed-bed adsorption and separation processes, which could be extended to other mixed gases as well.

关键词: Carbon dioxide, Adsorption, Fixed bed, Finite element analysis, Distributions of concentration and temperature field

Abstract: Accurately predicting distributions of concentration and temperature field in fixed-bed column is essential for designing adsorption processes. In this study, a two-dimensional (2D), axisymmetric, nonisothermal, dynamic adsorption model was established by coupling equations of mass, momentum and energy balance, and solved by finite element analysis. The simulation breakthrough curves fit well with the low-concentration CO₂ adsorption experimental data, indicating the reliability of the established model. The distributions of concentration and temperature field in the column for CO₂ adsorption and separation from CO₂/N₂ were obtained. The sensitivity analysis of the adsorption conditions shows that the operation parameters such as feed flow rate, feed concentration, pellet size, and column height-to-diameter ratio produce a significant effect on the dynamic adsorption performance. The multi-physics coupled 2D axisymmetric model could provide a theoretical foundation and guidance for designing CO₂ fixed-bed adsorption and separation processes, which could be extended to other mixed gases as well.

Key words: Carbon dioxide, Adsorption, Fixed bed, Finite element analysis, Distributions of concentration and temperature field

Yonghou Xiao, Shuang Qiu, Qidong Zhao, Yuhao Zhu, Chirag B. Godiya, Gaohong He. Numerical simulation of low-concentration CO₂ adsorption on fixed bed using finite element analysis[J]. 中国化学工程学报, 2021, 36(8): 47-56.

参考文献

[1] J.R. Petit, J. Jouzel, D. Raynaud, N.I. Barkov, J.M. Barnola, I. Basile, M. Bender, J. Chappellaz, M. Davis, G. Delaygue, M. Delmotte, V.M. Kotlyakov, M. Legrand, V.Y. Lipenkov, C. Lorius, L. Pepin, C. Ritz, E. Saltzman, M. Stievenard, Climate and atmospheric history of the past 420,000 years from the Vostok ice core, Antarctica, Nature 399(1999) 429-436.
[2] P. Markewitz, W. Kuckshinrichs, W. Leitner, J. Linssen, P. Zapp, R. Bongartz, A. Schreiber, T.E. Mueller, Worldwide innovations in the development of carbon capture technologies and the utilization of CO₂, Energy Environ. Sci. 5(2012) 7281-7305.
[3] L. Li, X. Huang, Q. Jiang, L. Xia, J. Wang, N. Ai, New process development and process evaluation for capturing CO₂ in flue gas from power plants using ionic liquid[emim] [Tf₂N], Chin. J. Chem. Eng. 28(2020) 721-732.
[4] Y.H. Kim, J.J. Kim, C.H. Lee, Adsorptive cyclic purification process for CO₂ mixtures captured from coal power plants, AIChE J. 63(2017) 1051-1063.
[5] J. Wang, M. Wang, W. Li, W. Qiao, D. Long, L. Ling, Application of polyethylenimineimpregnated solid adsorbents for direct capture of low-concentration CO₂, AIChE J. 61(2015) 972-980.
[6] M. Oschatz, M. Antonietti, A search for selectivity to enable CO₂ capture with porous adsorbents, Energy Environ. Sci. 11(2018) 57-70.
[7] N.R. Stuckert, R.T. Yang, CO₂ capture from the atmosphere and simultaneous concentration using zeolites and amine-grafted SBA-15, Environ. Sci. Technol. 45(2011) 10257-10264.
[8] M.A. Sakwa-Novak, S. Tan, C.W. Jones, Role of additives in composite PEI/oxide CO₂ adsorbents:enhancement intheamineefficiency ofsupportedPEIbyPEGinCO₂capture from simulated ambient air, ACS Appl. Mater. Interfaces 7(2015) 24748-24759.
[9] S. Satyapal, T. Filburn, J. Trela, J. Strange, Performance and properties of a solid amine sorbent for carbon dioxide removal in space life support applications, Energy Fuel 15(2001) 250-255.
[10] J. Wang, H. Huang, M. Wang, L. Yao, W. Qiao, D. Long, L. Ling, Direct capture of lowconcentration CO₂ on mesoporous carbon-supported solid amine adsorbents at ambient temperature, Ind. Eng. Chem. Res. 54(2015) 5319-5327.
[11] Y. Kong, X. Shen, S. Cui, M. Fan, Development of monolithic adsorbent via polymeric solgel process for low-concentration CO₂ capture, Appl. Energy 147(2015) 308-317.
[12] M. Zhang, Y. Guo, Rate based modeling of absorption and regeneration for CO₂ capture by aqueous ammonia solution, Appl. Energy 111(2013) 142-152.
[13] G. Xu, F. Liang, Y. Yang, Y. Hu, K. Zhang, W. Liu, An improved CO₂ separation and purification system based on cryogenic separation and distillation theory, Energies 7(2014) 3484-3502.
[14] N. Du, H. Park, M.M. Dal-Cin, M.D. Guiver, Advances in high permeability polymeric membrane materials for CO₂ separations, Energy Environ. Sci. 5(2012) 7306-7322.
[15] Y. Park, D.K. Moon, D. Park, M. Mofarahi, C.H. Lee, Adsorption equilibria and kinetics of CO₂, CO, and N₂ on carbon molecular sieve, Sep. Purif. Technol. 212(2019) 952-964.
[16] Z.Liu,L.Wang,X.Kong,P.Li,J.Yu,A.E.Rodrigues,OnsiteCO₂capturefrom fluegasbyan adsorption process in a coal-fired power plant, Ind. Eng. Chem. Res. 51(2012) 7355-7363.
[17] Y.Shen, Y. Zhou, D.Li, Q.Fu, D.Zhang,P.Na,Dual-refluxpressureswing adsorptionprocess for carbon dioxide capture from dry flue gas, Int. J. Greenh. Gas Con. 65(2017) 55-64.
[18] R. Ben-Mansour, M.A. Habib, O.E. Bamidele, M. Basha, N.A.A. Qasem, A. Peedikakkal, T. Laoui, M. Ali, Carbon capture by physical adsorption:materials, experimental investigations and numerical modeling and simulations-a review, Appl. Energy 161(2016) 225-255.
[19] L. Riboldi, O. Bolland, Evaluating pressure swing adsorption as a CO₂ separation technique in coal-fired power plants, Int. J. Greenh. Gas Con. 39(2015) 1-16.
[20] H. Li, Z. Liao, J. Sun, B. Jiang, J. Wang, Y. Yang, Modelling and simulation of two-bed PSA process for separating H₂ from methane steam reforming, Chin. J. Chem. Eng. 27(2019) 1870-1878.
[21] L. Joss, M. Gazzani, M. Mazzotti, Rational design of temperature swing adsorption cycles for post-combustion CO₂ capture, Chem. Eng. Sci. 158(2017) 381-394.
[22] S. Krishnamurthy, V.R. Rao, S. Guntuka, P. Sharratt, R. Haghpanah, A. Rajendran, M. Amanullah, I.A. Karimi, S. Farooq, CO₂ capture from dry flue gas by vacuum swing adsorption:a pilot plant study, AIChE J. 60(2014) 1830-1842.
[23] L.E. Perez, P. Sarkar, A. Rajendran, Experimental validation of multi-objective optimization techniques for design of vacuum swing adsorption processes, Sep. Purif. Technol. 224(2019) 553-563.
[24] Y. Belmabkhout, V. Guillerm, M. Eddaoudi, Low concentration CO₂ capture using physical adsorbents:are metal-organic frameworks becoming the new benchmark materials? Chem. Eng. J. 296(2016) 386-397.
[25] Z. Zhou, L. Mei, C. Ma, F. Xu, J. Xiao, Q. Xia, Z. Li, A novel bimetallic MIL-101(Cr, Mg)with highCO₂adsorptioncapacity andCO₂/N₂ selectivity, Chem. Eng. Sci.10(2016)282-289.
[26] Q. Chen, F. Rosner, A. Rao, S. Samuelsen, A. Jayaraman, G. Alptekin, Simulation of elevated temperature solid sorbent CO₂ capture for pre-combustion applications using computational fluid dynamics, Appl. Energy 237(2019) 314-325.
[27] B. Hou, R. Ye, Y. Huang, X. Wang, T. Zhang, A CFD model for predicting the heat transfer in the industrial scale packed bed, Chin. J. Chem. Eng. 26(2018) 228-237.
[28] W. Qian, J. Wu, L. Yang, X. Lin, Y. Chen, X. Chen, J. Xiong, J. Bai, H. Ying, Computational simulations of breakthrough curves in cAMP adsorption processes in ion-exchange bed under hydrodynamic flow, Chem. Eng. J. 197(2012) 424-434.
[29] R. Gautier, T. Dbouk, M.A. Campesi, L. Hamon, J.L. Harion, P. Pre, Pressure-swingadsorption of gaseous mixture in isotropic porous medium:transient 3D modeling and validation, Chem. Eng. J. 348(2018) 1049-1062.
[30] R. Ben-Mansour, N.A.A. Qasem, M.A. Antar, Carbon dioxide adsorption separation from dry and humid CO₂/N₂ mixture, Comput. Chem. Eng. 117(2018) 221-235.
[31] F. Xue, F. Wang, S. Chen, S. Wang, S. Ju, W. Xing, Simulation of Cefoselis hydrochloride adsorption on macroporous resin in a fixed-bed column using orthogonal collocation, Chin. J. Chem. Eng. 26(2018) 1822-1828.
[32] M.S. Shafeeyan, W.M. Daud, A. Shamirit, A review of mathematical modeling of fixed-bed columns for carbon dioxide adsorption, Chem. Eng. Res. Des. 92(2014) 961-988.
[33] J. Xiao, J. Wang, D. Cossement, P. Benard, R. Chahine, Finite element model for charge and discharge cycle of activated carbon hydrogen storage, Int. J. Hydrog. Energy 37(2012) 802-810.
[34] M.S. Shafeeyan, W.M. Daud, A. Shamirit, N. Aghamohammadi, Modeling of carbon dioxide adsorption onto ammonia-modified activated carbon:kinetic analysis and breakthrough behavior, Energy Fuel 29(2015) 6565-6577.
[35] C. Lehmann, O. Kolditz, T. Nagel, Modelling sorption equilibria and kinetics in numerical simulations of dynamic sorption experiments in packed beds of salt/zeolite composites for thermochemical energy storage, Int. J. Heat Mass Transf. 128(2019) 1102-1113.
[36] C.A. da Rosa, I.C. Ostroski, J.G. Meneguin, M.L. Gimenes, M.A.S.D. Barros, Study of Pb²⁺ adsorption in a packed bed column of bentonite using CFD, Appl. Clay Sci. 104(2015) 48-58.
[37] T.L.P. Dantas, S.M. Amorim, F.M.T. Luna, I.J. Silva, D.C.S. de Azevedo, A.E. Rodrigues, R.F.P.M. Moreira, Adsorption of carbon dioxide onto activated carbon and nitrogen-enriched activated carbon:surface changes, equilibrium, and modeling of fixed-bed adsorption, Sep. Sci. Technol. 45(2010) 73-84.
[38] Z. Liu, C.A. Grande, P. Li, J. Yu, A.E. Rodrigues, Adsorption and desorption of carbon dioxide and nitrogen on zeolite 5A, Sep. Sci. Technol. 46(2011) 434-451.
[39] D.M. Ruthven, Principles of Adsorption and Adsorption Processes, (New York), 1984.
[40] A.H. Sulaymon, S.A. Yousif, M.M. Al-Faize, Competitive biosorption of lead mercury chromium and arsenic ions onto activated sludge in fixed bed adsorber, J. Taiwan Inst. Chem. Eng. 45(2014) 325-337.
[41] P.G. Aguilera, F.J. Gutierrez Ortiz, Prediction of fixed-bed breakthrough curves for H₂S adsorption from biogas:importance of axial dispersion for design, Chem. Eng. J. 289(2016) 93-98.
[42] B. Yuan, J.B. Xu, Z.S. Mao, Y.Q. Zhang, C. Yang, Particle-resolved simulation of packed beds by non-body conforming locally refined orthogonal hexahedral mesh, Chin. J. Chem. Eng. 27(2019) 2635-2642.
[43] P. Ning, J.J. Gu, H.J. Bart, A.Z. Wang, Effect of maldistribution on the breakthrough in a fixed bed adsorber, J. Chem. Ind. Eng. (China) 49(1998) 678-682.
[44] Y. Wang, T. Du, H. Jia, Z. Qiu, Y. Song, Synthesis, characterization and CO₂ adsorption of NaA, NaX and NaZSM-5 from rice husk ash, Solid State Sci. 86(2018) 24-33.

Numerical simulation of low-concentration CO₂ adsorption on fixed bed using finite element analysis

Numerical simulation of low-concentration CO₂ adsorption on fixed bed using finite element analysis

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