{"title":"固定床反应器实验中CO2甲烷化反应动力学参数的建模与估算","authors":"Toshiki Tsuboi, Shoya Yasuda, Cheolyong Choi, Wei Zhang, Hiroshi Machida, Koyo Norinaga, Tomoyuki Yajima, Yoshiaki Kawajiri","doi":"10.1002/amp2.10145","DOIUrl":null,"url":null,"abstract":"<p>CO<sub>2</sub> methanation, which converts CO<sub>2</sub> and hydrogen into methane as fuel, is one of the promising candidates for the development of CO<sub>2</sub> utilization technologies. Recently, a highly active catalyst made of Ni/ZrO<sub>2</sub> for methanation has been developed, and is currently investigated as a potential use in a high-performance reactor. However, design of reactor must be carried out carefully, since this reaction is highly exothermic, which may cause reactor runaway and deterioration of catalysts. For this problem, a mathematical model that can predict the behavior inside the reactor is necessary. In this work, we consider the methanation reaction of CO<sub>2</sub> in a reactor model and estimate the kinetic parameters in the reaction rate model from experimental data. In the parameter estimation using literature values and Tikhonov regularization, eight kinetic parameters in the rate equations were identified from 64 data points with a wide range of conditions. We confirm that molar fractions at the reactor exit predicted by this reactor model are in good agreement with the experimental results. Furthermore, the developed model was validated to predict the compositions and temperature that were not used in the estimation. We expect the developed model will be a powerful tool for the reactor design.</p>","PeriodicalId":87290,"journal":{"name":"Journal of advanced manufacturing and processing","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2022-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Modeling and estimating kinetic parameters for CO2 methanation from fixed bed reactor experiments\",\"authors\":\"Toshiki Tsuboi, Shoya Yasuda, Cheolyong Choi, Wei Zhang, Hiroshi Machida, Koyo Norinaga, Tomoyuki Yajima, Yoshiaki Kawajiri\",\"doi\":\"10.1002/amp2.10145\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>CO<sub>2</sub> methanation, which converts CO<sub>2</sub> and hydrogen into methane as fuel, is one of the promising candidates for the development of CO<sub>2</sub> utilization technologies. Recently, a highly active catalyst made of Ni/ZrO<sub>2</sub> for methanation has been developed, and is currently investigated as a potential use in a high-performance reactor. However, design of reactor must be carried out carefully, since this reaction is highly exothermic, which may cause reactor runaway and deterioration of catalysts. For this problem, a mathematical model that can predict the behavior inside the reactor is necessary. In this work, we consider the methanation reaction of CO<sub>2</sub> in a reactor model and estimate the kinetic parameters in the reaction rate model from experimental data. In the parameter estimation using literature values and Tikhonov regularization, eight kinetic parameters in the rate equations were identified from 64 data points with a wide range of conditions. We confirm that molar fractions at the reactor exit predicted by this reactor model are in good agreement with the experimental results. Furthermore, the developed model was validated to predict the compositions and temperature that were not used in the estimation. We expect the developed model will be a powerful tool for the reactor design.</p>\",\"PeriodicalId\":87290,\"journal\":{\"name\":\"Journal of advanced manufacturing and processing\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-09-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of advanced manufacturing and processing\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/amp2.10145\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of advanced manufacturing and processing","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/amp2.10145","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Modeling and estimating kinetic parameters for CO2 methanation from fixed bed reactor experiments
CO2 methanation, which converts CO2 and hydrogen into methane as fuel, is one of the promising candidates for the development of CO2 utilization technologies. Recently, a highly active catalyst made of Ni/ZrO2 for methanation has been developed, and is currently investigated as a potential use in a high-performance reactor. However, design of reactor must be carried out carefully, since this reaction is highly exothermic, which may cause reactor runaway and deterioration of catalysts. For this problem, a mathematical model that can predict the behavior inside the reactor is necessary. In this work, we consider the methanation reaction of CO2 in a reactor model and estimate the kinetic parameters in the reaction rate model from experimental data. In the parameter estimation using literature values and Tikhonov regularization, eight kinetic parameters in the rate equations were identified from 64 data points with a wide range of conditions. We confirm that molar fractions at the reactor exit predicted by this reactor model are in good agreement with the experimental results. Furthermore, the developed model was validated to predict the compositions and temperature that were not used in the estimation. We expect the developed model will be a powerful tool for the reactor design.