Response Surface Methodology and Artificial Neural Networks Optimisation of CO2 Methanation Simulation using Ni/MgAl2O4 Catalyst in a Multi-Tubular Fixed-Bed Reactor
DOI:
https://doi.org/10.62638/ZasMat1295Abstract
This study investigated the simulation and optimization of synthetic methane production over Ni/MgAl2O4 in a multi-tubular fixed-bed reactor. The study comprises process simulation conducted using Aspen Hysys software, modeling and optimization using response surface methodology (RSM) and artificial neural network (ANN) performed using Design Experts and MATLAB software respectively. In the process simulation for the CO2methanation, sensitivity analyses were performed to determine the effects of temperature, pressure, H2/CO2 ratio, and CO fraction in the feedstock on CO2 conversion,CH4 yield, and CH4 selectivity. RSM and ANN models were built using datapoints provided by the process simulation results to model the relationship between input variables and output responses and perform optimisation for RSM model and ANN model coupled with genetic algorithm (GA). The process simulation results profoundly highlighted theimpact of temperature in enhancing CO2 conversion and CH4 yield. Higher temperatures favoured the endothermic reversed water-gas shift (RWGS) reaction, leading to increased CO2 conversion and CH4 yield. Both CO2 conversion, CH4 selectivity, and yield were found to be minimally affected by pressure. CO fraction in the feed was found to exert a delicate influence on the CO2 conversion and CH4 yield. Excessive CO fractions hindered the methanation process, reducing both CO2 conversion and CH4 yield. Additionally, the H2/CO2 ratio proved critical as higher ratios facilitated higher CO2 conversion, CH4 selectivity, and yield, emphasizing the significance of optimal hydrogen to CO2 ratio for efficient methanation which was proposed to be at values higher than the stoichiometric value of 4:1. Furthermore, the ANN-GA model outperformed RSM in terms of prediction accuracy and optimization. The ANN model demonstrated superior capabilities in capturing the complex relationships between the input variables and output responses demonstrated by the performance metrics including R2 values, MSE, RMSE etc. The optimisation results of the ANN-GA model provided more precise and efficient predictions when compared with RSM, offering a deeper understanding of the intricate interactions within the methanation process.
Keywords:
Artificial Neural Networks, CO2 Methanation, HYSYS Modelling, Response Surface Methodology, Reverse Water Gas Shift, Langmuir-Hinshelwood-Hougen-Watson Rate ExpressionReferences
N.A.M.Razali, K.T. Lee, S. Bhatia, A.R. Mohamed (2012) Heterogeneous Catalysts for Production of Chemicals Using Carbon Dioxide as Raw Material: A Review. Renewable Sustainable Energy Rev. 16, 4951– 4964. https://doi.org/10.1016/j.rser.2012.04.012. DOI: https://doi.org/10.1016/j.rser.2012.04.012
W.Li, H. Wang, X. Jiang, J. Zhu, Z.Liu, X. Guo, C. Song (2018) A short review of recent advances in CO2 hydrogenation to hydrocarbons over heterogeneous catalysts. RSC Adv., 8, 7651–7669. https://doi.org/10.1039/C7RA13546G. DOI: https://doi.org/10.1039/C7RA13546G
L. Li, W. Zeng, M. Song, X. Wu, G. Li, & C. Hu. (2022). Research progress and reaction mechanism of CO2methanation over Ni-based catalysts at low temperature: A review. Catalysts, 12, 244. https://doi.org/10.3390/catal12020244 DOI: https://doi.org/10.3390/catal12020244
M. Younas, M. Sohail, L. K. Leong, M. J. K. Bashir, H. Nadeem, S. Shehzad, & S. Sumathi. (2017). Recent advancements, fundamental challenges, and opportunities in catalytic methanation of CO2. Energy & Fuels. https://doi.org/10.1021/acs.energyfuels.6b01723
M. Obeid, C. Poupin, M. Labaki, S. Aouad, F. Delattre, S. Gupta, ...& E. Abi-Aad. (2023). CO2methanation over LDH derived NiMgAl and NiMgAlFe oxides: Improving activity at lower temperatures via an ultrasound-assisted preparation. Chemical Engineering Journal, 474, 145460. https://doi.org/10.1016/j.cej.2023.145460 DOI: https://doi.org/10.1016/j.cej.2023.145460
M. Younas, L. K. Kong, M. J. Bashir, H. Nadeem, A. Shehzad, & S. Sethupathi. (2016). Recent advancements, fundamental challenges, and opportunities in catalytic methanation of CO2. Energy & Fuels, 30(11), 8815–8831. https://doi.org/10.1021/acs.energyfuels.6b01723 DOI: https://doi.org/10.1021/acs.energyfuels.6b01723
J. Wei, Q. Ge, R. Yao, Z. Wen, C. Fang, L. Guo, H. Xu, & J. Sun. (2017). Directly converting CO2 into a gasoline fuel. Nature Communications, 8(1), 15174. https://doi.org/10.1038/ncomms15174 DOI: https://doi.org/10.1038/ncomms15174
N. D. MohdRidzuan, M. S. Shaharun, M. A. Anawar, & I. Ud-Din. (2022). Ni-based catalyst for carbon dioxide methanation: A review on performance and progress. Catalysts, 12, 469. https://doi.org/10.3390/catal12050469 DOI: https://doi.org/10.3390/catal12050469
S. Biswas, A. P. Kulkarni, S. Giddey, & S. Bhattacharya. (2020). A review on synthesis of methane as a pathway for renewable energy storage with a focus on solid oxide electrolytic cell-based processes. Frontiers in Energy Research, 8, 570112. ttps://doi.org/10.3389/fenrg.2020.570112 DOI: https://doi.org/10.3389/fenrg.2020.570112
L. Barelli, G. Bidini, P. A. Ottaviano, & M. Perla. (2021). Liquefied synthetic natural gas produced through renewable energy surplus: Impact analysis on vehicular transportation by 2040 in Italy. Gases, 1, 80–91. https://doi.org/10.3390/gases1020007 DOI: https://doi.org/10.3390/gases1020007
K. Stangeland, D. Kalai, H. Li, & Z. Yu. (2017). CO2methanation: The effect of catalysts and reaction conditions. Energy Procedia, 105, 2022–2027. https://doi.org/10.1016/j.egypro.2017.03.577 DOI: https://doi.org/10.1016/j.egypro.2017.03.577
A. Mazza, E. Bompard, & G. Chicco. (2018). Applications of power to gas technologies in emerging electrical systems. Renewable and Sustainable Energy Reviews, 92, 794–806. https://doi.org/10.1016/j.rser.2018.04.072 DOI: https://doi.org/10.1016/j.rser.2018.04.072
R. Curie. (2019). Design and Simulation of Novel Sabatier Reactors for the Thermocatalytic Conversion of CO2 into Renewable Natural Gas (Master’s thesis). University of Waterloo. http://hdl.handle.net/10012/14542
A. Kolakoti, & G. Satish. (2023). Biodiesel production from low-grade oil using heterogeneous catalyst: an optimisation and ANN modelling. Australian Journal of Mechanical Engineering, 21(1), 316–328. https://doi.org/10.1080/14484846.2020.1842298 DOI: https://doi.org/10.1080/14484846.2020.1842298
C. Bassano, P. Deiana, L. Lietti, & C. G. Visconti. (2019). P2G movable modular plant operation on synthetic methane production from CO2 and hydrogen from renewable sources. Fuel, 253, 1071 –1079.https://doi.org/10.1016/j.fuel.2019.05.074 DOI: https://doi.org/10.1016/j.fuel.2019.05.074
C. E. Yeo, M. Seo, D. Kim, C. Jeong, H. S. Shin, & S. Kim. (2021). Optimization of operating conditions for CO2methanation process using design of experiments. Energies, 14(24), 8414. https://doi.org/10.3390/en14248414 DOI: https://doi.org/10.3390/en14248414
A. Kolakoti, P. Bobbili, S. Katakam, S. Geeri, & W. G. Soliman. (2023). Applications of artificial intelligence in sustainable energy development and utilization. In Computational Intelligence in Sustainable Reliability Engineering (pp. 129–143). https://doi.org/10.1002/9781119865421.ch6 DOI: https://doi.org/10.1002/9781119865421.ch6
A. Z. AbHalim, R. Ali, & W. A. Wan Abu Bakar. (2015). CO2/H2methanation over M*/Mn/Fe-Al2O3 (M*: Pd, Rh, and Ru) catalysts in natural gas; optimization by response surface methodology-central composite design. Clean Technologies and Environmental Policy, 17, 627–636. https://doi.org/10.1007/s10098-014-0814-8 DOI: https://doi.org/10.1007/s10098-014-0814-8
N. Ali, M. Bilal, M. S. Nazir, A. Khan, F. Ali, & H. M. Iqbal. (2020). Thermochemical and electrochemical aspects of carbon dioxide methanation: A sustainable approach to generate fuel via waste to energy theme. Science of the Total Environment, 712, 136482. https://doi.org/10.1016/j.scitotenv.2019.136482 DOI: https://doi.org/10.1016/j.scitotenv.2019.136482
M. Younas, S. Sethupathi, L. L. Kong, & A. R. Mohamed. (2018). CO2methanation over Ni and Rh based catalysts: Process optimization at moderate temperature. International Journal of Energy Research, 42(10), 3289–3302. https://doi.org/10.1002/er.4082 DOI: https://doi.org/10.1002/er.4082
Y. Zhang, B. Wang, Z. Ji, Y. Jiao, Y. Shao, H. Chen, & X. Fan. (2023). Plasma-catalytic CO2methanation over NiFen/(Mg, Al) Ox catalysts: Catalyst development and process optimisation. Chemical Engineering Journal, 465, 142855. https://doi.org/10.1016/j.cej.2023.142855 DOI: https://doi.org/10.1016/j.cej.2023.142855
V. Dieterich, A. Buttler, A. Hanel, H. Spliethoff, & S. Fendt. (2020). Power-to-liquid via synthesis of methanol, DME or Fischer–Tropsch-fuels: a review. Energy & Environmental Science, 13(10), 3207–3252. https://doi.org/10.1039/D0EE01187H DOI: https://doi.org/10.1039/D0EE01187H
J. Gao, Y. Wang, Y. Ping, D. Hu, G. Xu, F. Gu, & F. Su. (2012). A thermodynamic analysis of methanation reactions of carbon oxides for the production of synthetic natural gas. RSC Advances, 2(6), 2358–2368. https://doi.org/10.1039/C2RA00632D DOI: https://doi.org/10.1039/c2ra00632d
M. F. Neubert. (2020). Catalytic methanation for small-and mid-scale SNG production. Friedrich-Alexander-Universität Erlangen-Nürnberg. https://open.fau.de/handle/openfau/13118
A. El Sibai, L. Rihko-Struckmann, & K. Sundmacher. (2015). Synthetic methane from CO2: Dynamic optimization of the Sabatier process for power-to-gas applications. In Computer Aided Chemical Engineering (Vol. 37, pp. 1157–1162). Elsevier. ttps://doi.org/10.1016/B978-0-444-63577-8.50038-3 DOI: https://doi.org/10.1016/B978-0-444-63577-8.50038-3
L. Shen, J. Xu, M. Zhu, & Y. F. Han. (2020). Essential role of the support for nickel-based CO2methanation catalysts. ACS Catalysis, 10(24), 14581–14591. https://doi.org/10.1021/acscatal.0c03471 DOI: https://doi.org/10.1021/acscatal.0c03471
E. I. Papaioannou, S. Souentie, A. Hammad, & C. G. Vayenas. (2009). Electrochemical promotion of the CO2 hydrogenation reaction using thin Rh, Pt and Cu films in a monolithic reactor at atmospheric pressure. Catalysis Today, 146(3–4), 336–344. https://doi.org/10.1016/j.cattod.2009.06.008 DOI: https://doi.org/10.1016/j.cattod.2009.06.008
L. Jürgensen, E. A. Ehimen, J. Born, & J. B. Holm-Nielsen. (2015). Dynamic biogas upgrading based on the Sabatier process: Thermodynamic and dynamic process simulation. Bioresource Technology, 178, 323–329. https://doi.org/10.1016/j.biortech.2014.10.069 DOI: https://doi.org/10.1016/j.biortech.2014.10.069
J. Schumacher, D. Meyer, J. Friedland, & R. Güttel. (2022). Evaluation of the application of different diffusion models for the methanation of CO/CO2 mixtures. Results in Engineering, 13, 100355. https://doi.org/10.1016/j.rineng.2022.100355 DOI: https://doi.org/10.1016/j.rineng.2022.100355
A. Streb, & M. Mazzotti. (2022). Performance limits of neural networks for optimizing an adsorption process for hydrogen purification and CO2 capture. Computers & Chemical Engineering, 166, 107974. https://doi.org/10.1016/j.compchemeng.2022.107974 DOI: https://doi.org/10.1016/j.compchemeng.2022.107974
I. Agirre, E. Acha, J. F. Cambra, & V. L. Barrio. (2021). Water sorption enhanced CO2methanation process: Optimization of reaction conditions and study of various sorbents. Chemical Engineering Science, 237, 116546. https://doi.org/10.1016/j.ces.2021.116546 DOI: https://doi.org/10.1016/j.ces.2021.116546
W. L. Becker, M. Penev, & R. J. Braun. (2019). Production of synthetic natural gas from carbon dioxide and renewably generated hydrogen: A techno-economic analysis of a power-to-gas strategy. Journal of Energy Resources Technology, 141(2), 021901. https://doi.org/10.1115/1.4041381 DOI: https://doi.org/10.1115/1.4041381
R. A. Hubble, J. Y. Lim, & J. S. Dennis. (2016). Kinetic studies of CO2methanation over a Ni/γ-Al2O3 catalyst. Faraday Discussions, 192, 529–544. https://doi.org/10.1039/C6FD00043F DOI: https://doi.org/10.1039/C6FD00043F
J. Lefebvre, N. Trudel, S. Bajohr, & T. Kolb. (2018). A study on three-phase CO2methanation reaction kinetics in a continuous stirred-tank slurry reactor. Fuel, 217, 151–159. https://doi.org/10.1016/j.fuel.2017.12.082 DOI: https://doi.org/10.1016/j.fuel.2017.12.082
D. Katla, D. Węcel, M. Jurczyk, & A. Skorek-Osikowska. (2023). Preliminary experimental study of a methanation reactor for conversion of H2 and CO2 into synthetic natural gas (SNG). Energy, 263, 125881. https://doi.org/10.1016/j.energy.2022.125881 DOI: https://doi.org/10.1016/j.energy.2022.125881
M. Hervy, J. Maistrello, L. Brito, M. Rizand, E. Basset, Y. Kara, & M. Maheut. (2021). Power-to-gas: CO2methanation in a catalytic fluidized bed reactor at demonstration scale, experimental results and simulation. Journal of CO2 Utilization, 50, 101610. https://doi.org/10.1016/j.jcou.2021.101610 DOI: https://doi.org/10.1016/j.jcou.2021.101610
M. Held, D. Schollenberger, S. Sauerschell, S. Bajohr, & T. Kolb. (2020). Power-to-Gas: CO2 methanation concepts for SNG production at the Engler-Bunte-Institut. Chemie Ingenieur Technik, 92(5), 595–602. https://doi.org/10.1002/cite.201900181 DOI: https://doi.org/10.1002/cite.201900181
D. L. Reddy, D. Lokhat, H. Siddiqi, & B. C. Meikap. (2022). Modelling and simulating CO and CO2methanation over Ru/γ-Al2O3 catalyst: An integrated approach from carbon capture to renewable energy generation. Fuel, 314, 123095. https://doi.org/10.1016/j.fuel.2021.123095 DOI: https://doi.org/10.1016/j.fuel.2021.123095
T. Chwoła, T. Spietz, L. Więcław-Solny, A. Tatarczuk, A. Krótki, S. Dobras, M. Stec, & J. Zdeb. (2020). Pilot plant initial results for the methanation process using CO2 from amine scrubbing at the Łaziska power plant in Poland. Fuel, 263, 116804. https://doi.org/10.1016/j.fuel.2019.116804 DOI: https://doi.org/10.1016/j.fuel.2019.116804
S. Rönsch, J. Schneider, S. Matthischke, M. Schlüter, M. Götz, J. Lefebvre, P. Prabhakaran, & S. Bajohr. (2016). Review on methanation – From fundamentals to current projects. Fuel, 166, 276–296. https://doi.org/10.1016/j.fuel.2015.10.111 DOI: https://doi.org/10.1016/j.fuel.2015.10.111
H. Nam, J. H. Kim, H. Kim, M. J. Kim, S. G. Jeon, G. T. Jin, & H. J. Ryu. (2021). CO2methanation in a bench-scale bubbling fluidized bed reactor using Ni-based catalyst and its exothermic heat transfer analysis. Energy, 214, 118895. https://doi.org/10.1016/j.energy.2020.118895 DOI: https://doi.org/10.1016/j.energy.2020.118895
S. I. Ngo, Y. I. Lim, D. Lee, M. W. Seo, & S. Kim. (2021). Experiment and numerical analysis of catalytic CO2methanation in bubbling fluidized bed reactor. Energy Conversion and Management, 233, 113863. https://doi.org/10.1016/j.enconman.2021.113863 DOI: https://doi.org/10.1016/j.enconman.2021.113863
W. J. Lee, C. Li, H. Prajitno, J. Yoo, J. Patel, Y. Yang, & S. Lim. (2021). Recent trend in thermal catalytic low temperature CO2methanation: A critical review. Catalysis Today, 368, 2–19. https://doi.org/10.1016/j.cattod.2020.02.017 DOI: https://doi.org/10.1016/j.cattod.2020.02.017
J. Ye, Y. Yao, Y. Zhao, Q. Yang, L. Ma, W. Zhang, & C. Tang. (2021). A review of CO2methanation: Key factors of catalyst, mechanism, and process. Frontiers in Energy Research, 9, 694805. https://doi.org/10.3389/fenrg.2021.694805
K. Nawaz, M. Sohail, & M. A. Naz. (2021). Recent developments in catalytic CO2methanation: A review. Environmental Science and Pollution Research, 28, 31960–31984. https://doi.org/10.1007/s11356-021-13166-1
M. Z. K. Kamarudin, S. L. Lee, & M. S. M. Nor. (2021). CO2 hydrogenation to methane: Recent advances in catalyst development and reaction mechanisms. Renewable and Sustainable Energy Reviews, 135, 110177. https://doi.org/10.1016/j.rser.2020.110177
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