مجله مهندسی مکانیک

مجله مهندسی مکانیک

مدل‌ سازی عددی نوین برای پیش ‌بینی دقیق و بهینه‌ سازی عملکرد مبدل‌ های کاتالیستی

نوع مقاله : علمی پژوهشی

نویسندگان
1 دانشیار، دانشکده مهندسی و پرواز، دانشگاه امام علی (ع)، تهران
2 محقق مستقل، کارشناس معاونت تحقیقات و جهاد خودکفایی هوانیروز، تهران
3 محقق مستقل، کارشناس ارشد مهندسی شیمی، گرایش طراحی فرآیند، تهران
چکیده
این مطالعه یک مدل عددی برای مبدل‌ های کاتالیستی در متلب توسعه داده که با ترکیب سینتیک پیچیده و انتقال جرم، دقت پیش ‌بینی را افزایش می‌ دهد. برخلاف مدل‌ های ساده، این مدل از واکنش چندگونه ای بهره می ‌برد که رفتار واقعی مبدل را بهتر شبیه ‌سازی می‌کند. اعتبارسنجی با داده‌ های تجربی نشان داد اختلاف بازده تبدیل برای متان، مونوکسید کربن و اکسید نیتروژن به ترتیب به 72/8%، 00/5% و 6/12% کاهش یافته است. پارامترهایی مانند دبی حجمی، طول مبدل و غلظت اکسیژن تأثیر زیادی بر عملکرد دارند. افزایش دبی از 05/0 به ۱ متر مکعب بر ثانیه در دمای ۵۰۰ کلوین باعث کاهش راندمان و افزایش دمای روشن‌ شدن بیش از ۸۰ کلوین شد. افزایش طول مبدل از 05/0 به 3/0متر در دمای ۵۵۰ کلوین، راندمان تبدیل مونوکسید کربن و اکسید نیتروژن را بیش از %40 بهبود داد. افزایش غلظت اکسیژن تبدیل مونوکسید کربن و متان را افزایش داد؛ اما کاهش اکسید نیتروژن را کاهش داد. افزایش غلظت مونوکسید کربن در گاز خروجی، دمای روشن‌ شدن متان و مونوکسید کربن را افزایش و دمای روشن ‌شدن اکسید نیتروژن را کاهش داد. کنترل غلظت مونوکسید کربن و بهینه‌ سازی طول مبدل عملکرد را بهبود می ‌دهد، هرچند افزایش طول مبدل ممکن است هزینه و افت فشار را بالا ببرد.
کلیدواژه‌ها

موضوعات


[1] G. Kavitha et al., "Thermodynamic and Emission Analysis of Waste Plastic Oil Fuelled Diesel Engine with Ce-Al Catalyst-Based Catalytic Converters–An Experimental Study," Process Safety and Environmental Protection, p. 106997, 2025 https://doi.org/10.1016/j.psep.2025.106997.
 
[2] S. Liu et al., "Recent Advances and Perspectives in Catalyst Design for Converting Syngas to Higher Alcohols," Energy & Fuels, vol. 38, no. 16, pp. 14769-14796, 2024 https://doi.org/10.1021/acs.energyfuels.4c01419.
 
[3] G. C. Koltsakis and A. M. Stamatelos, "Catalytic automotive exhaust aftertreatment," Progress in Energy and Combustion Science, vol. 23, no. 1, pp. 1-39, 1997 https://doi.org/10.1016/S0360-1285(97)00003-8.
 
[4] J. Koop and O. Deutschmann, "Detailed surface reaction mechanism for Pt-catalyzed abatement of automotive exhaust gases," Applied Catalysis B: Environmental, vol. 91, no. 1-2, pp. 47-58, 2009 https://doi.org/10.1016/j.apcatb.2009.05.006.
 
[5] D. Chatterjee, O. Deutschmann, and J. Warnatz, "Detailed surface reaction mechanism in a three-way catalyst," Faraday Discussions, vol. 119, pp. 371-384, 2002 https://doi.org/10.1039/B101968F.
 
[6] J. Gong et al., "O2 dosage as a descriptor of TWC performance under lean/rich dithering in stoichiometric natural gas engines," Catalysis Today, vol. 360, pp. 294-304, 2021 https://doi.org/10.1016/j.cattod.2020.02.022.
 
[7] D. Ferri, M. Elsener, and O. Kröcher, "Methane oxidation over a honeycomb Pd-only three-way catalyst under static and periodic operation," Applied Catalysis B: Environmental, vol. 220, pp. 67-77, 2018 https://doi.org/10.1016/j.apcatb.2017.07.070.
 
[8] M. Wang, P. D. Eggenschwiler, D. Ferri, and O. Kröcher, "Experimental and modeling-based analysis of reaction pathways on catalysts for natural gas engines under periodic lean/rich oscillations," Chemical Engineering Journal, vol. 430, p. 132848, 2022 https://doi.org/10.1016/j.cej.2021.132848.
 
[9] D. Bounechada, G. Groppi, P. Forzatti, K. Kallinen, and T. Kinnunen, "Effect of periodic lean/rich switch on methane conversion over a Ce–Zr promoted Pd-Rh/Al2O3 catalyst in the exhausts of natural gas vehicles," Applied Catalysis B: Environmental, vol. 119, pp. 91-99, 2012 https://doi.org/10.1016/j.apcatb.2012.02.025.
 
[10] Y. Tan, C. Kou, J. E, C. Feng, and D. Han, "Effect of different exhaust parameters on conversion efficiency enhancement of a Pd–Rh three-way catalytic converter for heavy-duty natural gas engines," Energy, vol. 292, p. 130483, 2024/04/01/ 2024,  https://doi.org/10.1016/j.energy.2024.130483.
 
[11] Y. Tan, E. Jiaqiang, C. Kou, C. Feng, and D. Han, "Effects of critical structure parameters on conversion performance enhancement of a Pd-Rh dual-carrier catalytic converter for heavy-duty natural gas engines," Energy, p. 131934, 2024 https://doi.org/10.1016/j.energy.2024.131934.
 
[12] Q. Zhang, M. Li, G. Li, S. Shao, and P. Li, "Transient emission characteristics of a heavy-duty natural gas engine at stoichiometric operation with EGR and TWC," Energy, vol. 132, pp. 225-237, 2017 https://doi.org/10.1016/j.energy.2017.05.039.
 
[13] R. Hutter, L. De Libero, P. Elbert, and C. H. Onder, "Catalytic methane oxidation in the exhaust gas aftertreatment of a lean-burn natural gas engine," Chemical Engineering Journal, vol. 349, pp. 156-167, 2018 https://doi.org/10.1016/j.cej.2018.05.054.
 
[14] P. Auvinen et al., "A detailed study on regeneration of SO2 poisoned exhaust gas after-treatment catalysts: In pursuance of high durability and low methane, NH3 and N2O emissions of heavy-duty vehicles," Fuel, vol. 291, p. 120223, 2021 https://doi.org/10.1016/j.fuel.2021.120223.
 
[15] Q. Zhang, M. Li, S. Shao, and G. Li, "Ammonia emissions of a natural gas engine at the stoichiometric operation with TWC," Applied Thermal Engineering, vol. 130, pp. 1363-1372, 2018 https://doi.org/10.1016/j.applthermaleng.2017.11.098.
 
[16] S. Yoon et al., "Chemical and toxicological properties of emissions from CNG transit buses equipped with three-way catalysts compared to lean-burn engines and oxidation catalyst technologies," Atmospheric Environment, vol. 83, pp. 220-228, 2014 https://doi.org/10.1016/j.atmosenv.2013.11.003.
 
[17] Q. Zhang, Z. Li, Z. Wei, M. Li, and X. Zheng, "Experiment investigation on the emission characteristics of a stoichiometric natural gas engine operating with different reference fuels," Fuel, vol. 269, p. 117449, 2020 https://doi.org/10.1016/j.fuel.2020.117449.
 
[18] Z. Zhang et al., "Multi-objective optimization of the three-way catalytic converter on the combustion and emission characteristics for a gasoline engine," Energy, vol. 277, p. 127634, 2023 https://doi.org/10.1016/j.energy.2023.127634.
 
[19] J. Braun et al., "Influence of physical and chemical parameters on the conversion rate of a catalytic converter: a numerical simulation study," SAE Technical Paper, 0148-7191, 2000 https://doi.org/10.4271/2000-01-0211.
 
[20] W. Luc et al., "Two-dimensional copper nanosheets for electrochemical reduction of carbon monoxide to acetate," Nature Catalysis, vol. 2, no. 5, pp. 423-430, 2019 https://doi.org/10.1038/s41929-019-0269-8.
 
[21] D. Di Maio, E. Stramaccioni, D. A. Misul, P. Napolitano, and C. Beatrice, "A Multiphysics Co-Simulation Framework of a Gas Engine and Three-Way Catalyst toward a Complete Vehicle Design Model," Machines, vol. 10, no. 10, p. 852, 2022 https://doi.org/10.3390/machines10100852.
 
[22] M. Doble, "Perry’s chemical engineers’ handbook," McGraw-Hil, New York, US, 2007 https://doi.org/10.3390/machines10100852.
 
[23] G. C. Koltsakis, P. A. Konstantinidis, and A. M. Stamatelos, "Development and application range of mathematical models for 3-way catalytic converters," Applied Catalysis B: Environmental, vol. 12, no. 2-3, pp. 161-191, 1997 https://doi.org/10.1016/S0926-3373(96)00073-2.
 
[24] S. H. Oh and J. C. Cavendish, "Transients of monolithic catalytic converters. Response to step changes in feedstream temperature as related to controlling automobile emissions," Industrial & Engineering Chemistry Product Research and Development, vol. 21, no. 1, pp. 29-37, 1982 https://doi.org/10.1021/i300005a006.
 
[25] Y. Qian et al., "Investigation of the formation characteristics of N2O and NH3 for stoichiometric natural gas engines with Pd-only catalyst," Fuel, vol. 329, p. 125223, 2022 https://doi.org/10.1016/j.fuel.2022.125223.
 
[26] S. Turms, "An Introduction to Combustion: Concept and Application," ed: McGraw-Hill, 2000 https://doi.org/10.1016/j.fuel.2022.125223.
 
[27] F. Huang et al., "Pd or PdO: Catalytic active site of methane oxidation operated close to stoichiometric air-to-fuel for natural gas vehicles," Applied Catalysis B: Environmental, vol. 219, pp. 73-81, 2017 https://doi.org/10.1016/j.apcatb.2017.07.037.
 
[28] D. Lou, Y. Ren, X. Li, Y. Zhang, and X. Sun, "Effect of operating conditions and TWC parameters on emissions characteristics of a stoichiometric natural gas engine," Energies, vol. 13, no. 18, p. 4905, 2020 https://doi.org/10.3390/en13184905.
 
[29] E. Jiaqiang, J. Luo, D. Han, Y. Tan, C. Feng, and Y. Deng, "Effects of different catalysts on light-off temperature of volatile organic components in the rotary diesel particulate filter during the regeneration," Fuel, vol. 310, p. 122451, 2022 https://doi.org/10.1016/j.fuel.2021.122451.
 [30]        S. B. Kang, S. J. Han, I.-S. Nam, B. K. Cho, C. H. Kim, and S. H. Oh, "Detailed reaction kinetics for double-layered Pd/Rh bimetallic TWC monolith catalyst," Chemical Engineering Journal, vol. 241, pp. 273-287, 2014 https://doi.org/10.1016/j.cej.2013.12.039.
 
[31]         Z. Li et al., "Effect of A/F ratio fluctuation on light-off performance of methane of TWC for CNG engine," J. Jilin Univ, vol. 1, pp. 79-87, 2019 https://doi.org/10.1016/j.cej.2013.12.039 .
 
 [32]        Y. Cui, M. Shen, J. Wang, J. Wang, G. Shen,  C. Wang, "Comprehensive kinetic model of a three-way catalyst for stoichiometric natural gas engines: Experiments and simulation," Journal of the Taiwan Institute of Chemical Engineers, vol. 136, p. 104416, 2022
      https://doi.org/10.1016/j.jtice.2022.104416.
 
دوره 34، شماره 4 - شماره پیاپی 163
مهر و آبان 1404
صفحه 66-80

  • تاریخ دریافت 23 فروردین 1404
  • تاریخ بازنگری 09 خرداد 1404
  • تاریخ پذیرش 31 شهریور 1404