燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60396-2

Yuning LIANG , Baohui WANG , Shuohui LI , Weimeng CHI , Mingchun BI , Yuxuan LIU , Yiran WANG , Ming YAO , Tianying ZHANG , Ying CHEN

引用次数: 0

TG-FTIR study on escape behavior of products from co-pyrolysis of coal and residuum 煤和残渣共热解产物逸出行为的 TG-FTIR 研究

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60393-7

Xiao-dong ZHOU , Hao WU , Jing-mei LIU , Xue-li HUANG , Ting LIU , Mei ZHONG , Feng-yun MA

{"title":"TG-FTIR study on escape behavior of products from co-pyrolysis of coal and residuum","authors":"Xiao-dong ZHOU , Hao WU , Jing-mei LIU , Xue-li HUANG , Ting LIU , Mei ZHONG , Feng-yun MA","doi":"10.1016/S1872-5813(23)60393-7","DOIUrl":"https://doi.org/10.1016/S1872-5813(23)60393-7","url":null,"abstract":"<div><p>Coal and residuum are first co-pyrolyzed, and then hydrogenated into small molecule products during co-liquefaction. Therefore, clarifying influence of residuum on coal pyrolysis performance is an important thermochemical basis for regulating the process. The co-pyrolysis behavior of atmospheric residuum (AR) and Naomaohu coal (NMH) were investigated by TG, TG-FTIR and distributed activation energy model. The results showed that the peak temperature of the maximum rate of weight loss for the co-pyrolysis process was reduced by 7 °C compared with the theoretical value calculated by weighted average of AR and NMH pyrolysis alone, while the weight loss increased by 3%, the average activation energy decreased by 23.6 kJ/mol. In addition, the peak area of alkyl O-containing functional groups such as alcohols and ethers increased, whereas those of CO and CO<sub>2</sub> decreased, suggesting that AR had a positive effect on NMH pyrolysis. Meanwhile, alkyl radicals from AR decomposition would combine with O-containing radicals generated from coal pyrolysis, thus resulting in a decrease of CO and CO<sub>2</sub> by inhibiting breakage of carboxyl groups. This work will provide a scientific evaluation basis for revealing the influence of residuum on composition of coal liquefaction product during co-liquefaction.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 4","pages":"Pages 525-535"},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140536567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A DFT study on the formation mechanism of side product 1,2-propanediol in the hydrogenation of dimethyl oxalate over copper catalyst 铜催化剂氢化草酸二甲酯过程中副产物 1,2-丙二醇形成机理的 DFT 研究

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60399-8

Guodong LUN , Weiqi AN , Jinghong ZHOU , Yi'an ZHU , I Wei

{"title":"A DFT study on the formation mechanism of side product 1,2-propanediol in the hydrogenation of dimethyl oxalate over copper catalyst","authors":"Guodong LUN , Weiqi AN , Jinghong ZHOU , Yi'an ZHU , I Wei","doi":"10.1016/S1872-5813(23)60399-8","DOIUrl":"https://doi.org/10.1016/S1872-5813(23)60399-8","url":null,"abstract":"<div><p>The costly separation of 1,2-propanediol (1,2-PDO), an unavoidable byproduct in the hydrogenation of dimethyl oxalate (DMO), significantly hampers the economic viability of coal-to-ethylene glycol (EG) technology. To address this challenge, the formation mechanism of the side product 1,2-PDO on the Cu(111) and Cu<sub>2</sub>O(111) surfaces during DMO hydrogenation was investigated, which focused on the active sites of copper catalyst and the dominant pathway through density functional theory calculation. The thermodynamics of each elementary step and the adsorption behavior of various species involved in the reaction network along with the local density of states and charge density difference were systematically analyzed. The results indicate that 1,2-PDO is generated more favorably on the Cu<sub>2</sub>O(111) surface than that on the Cu(111) surface, owing to the Lewis acid-base pairs, i.e. Cu+ us and O– suf sites, present on the Cu<sub>2</sub>O(111) surface, which strengthens the binding of reactants, products, and reaction intermediates to the substrate. EG reacts primarily with methanol (MeOH) to form 1,2-PDO through Guerbet alcohol condensation reaction through three consecutive steps: alcohol dehydrogenation, aldol condensation, and unsaturated aldehyde hydrogenation. The O– suf sites promote the dehydrogenation of alcohols into aldehydes, the generation of enolates during aldol condensation and the hydrogenation of unsaturated aldehydes, while the Cu+ us sites are responsible for the C–C coupling reaction. These findings may shed light on the mechanism of 1,2-PDO formation over Cu catalyst and provide fundamental knowledge for the development of more efficient catalysts and process optimization.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 4","pages":"Pages 553-564"},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140536561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Review on the progress in the production of aromatic hydrocarbons by co-catalytic pyrolysis of biomass and plastics 生物质和塑料共催化热解生产芳香烃的进展综述

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60401-3

Dong HAN , Laizhi SUN , Lei CHEN , Shuangxia YANG , Tianjin LI , Xinping XIE , Meirong XU , Wendong TANG , Baofeng ZHAO , Hongyu SI , Dongliang HUA

{"title":"Review on the progress in the production of aromatic hydrocarbons by co-catalytic pyrolysis of biomass and plastics","authors":"Dong HAN , Laizhi SUN , Lei CHEN , Shuangxia YANG , Tianjin LI , Xinping XIE , Meirong XU , Wendong TANG , Baofeng ZHAO , Hongyu SI , Dongliang HUA","doi":"10.1016/S1872-5813(23)60401-3","DOIUrl":"https://doi.org/10.1016/S1872-5813(23)60401-3","url":null,"abstract":"<div><p>Aromatic hydrocarbons, especially monocyclic aromatic hydrocarbons such as benzene, toluene, and xylene (BTX), are important basic raw materials in the chemical industry, which are mainly derived from the catalytic reforming and thermal cracking of fossil fuels. The co-catalytic pyrolysis of biomass and plastic to produce aromatics has the advantages of high efficiency, environmental protection, low cost, and high selectivity. It can solve the problems of pyrolysis products such as high oxygen content, low aromatics yield, and low selectivity, which are caused by the characteristics of biomass rich in oxygen and poor in hydrogen. This article reviewed the research progress of co-catalytic pyrolysis of biomass and plastics to prepare aromatic compounds. Firstly, the types of raw materials for co-catalytic pyrolysis were introduced, and then the co-catalytic pyrolysis catalysts were emphasized. The reaction mechanisms of co-catalytic pyrolysis of biomass and plastics, such as the synthesis of dienes and hydrocarbon pool synergy were summarized. Finally, the future research focus and development direction of co-catalytic pyrolysis of biomass and plastics were proposed, which is developing the highly active and stable modified molecular sieve catalysts in order to improve the aromatics yield.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 4","pages":"Pages 481-495"},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140536564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ni supported on Ti-doped SBA-15 catalyst for the selective hydrodeoxygenation conversion of lignin derivatives 掺钛 SBA-15 催化剂支撑的 Ni 用于木质素衍生物的选择性加氢脱氧转化

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60387-1

Hongke ZHANG, Weichen WANG, Zhiyu XIANG, Fangyuan ZHOU, Wanbin ZHU, Hongliang WANG

引用次数: 0

Dynamic behaviors and heat recovery with hot gas withdrawal of flow reversal reactor for thermal oxidation of lean methane 用于贫甲烷热氧化的反向流动反应器的动态行为和热气回收

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60398-6

Zhikai LI , Zhiwei WU , Zhangfeng QIN , Mei DONG , Weibin FAN , Jianguo WANG

{"title":"Dynamic behaviors and heat recovery with hot gas withdrawal of flow reversal reactor for thermal oxidation of lean methane","authors":"Zhikai LI , Zhiwei WU , Zhangfeng QIN , Mei DONG , Weibin FAN , Jianguo WANG","doi":"10.1016/S1872-5813(23)60398-6","DOIUrl":"https://doi.org/10.1016/S1872-5813(23)60398-6","url":null,"abstract":"<div><p>Lean methane from abandoned coal mines or drainage gas with methane concentration of 1%−3% is in general directly discharged into the atmosphere due to the lack of appropriate technology, which has caused serious environmental concerns due to its high global warming potential. While direct thermal oxidation of ultra-low methane in a flow reversal reactor offers an attractive solution, it poses challenges such as potential explosions and unstable combustion flames. Elucidating the dynamic behavior of thermal oxidation of ultra-low methane in a flow reversal reactor is the basis for practical application. To this end, autothermal operation boundary of a pilot-scale thermal flow reversal reactor was examined and the effects of hot gas withdrawal on the behavior of flow reversal reactor was deeply studied. It was found that autothermal operation can be achieved with a methane content of over 0.2% and heat can be recovered if methane content is over 0.5%. Withdrawal of hot air has a significant impact on the dynamic behavior of the reactor: maximum bed temperature at the pseudo-steady state without hot gas extraction keeps almost constant with methane concentration varying in 0.5%−3.0%; whereas for heat recovery by hot gas withdrawal, the maximum bed temperature increases with the increase of the amount of hot gas extracted, and the allowable hot gas exported from the reactor increases nearly linearly from 12.5% to 32% as the methane content increases from 0.5% to 3.0%. Furthermore, the appropriate switching time decreases with the increase of the amount of hot gas withdrawn; for most cases, reversing flow direction at a time interval of 30−50 s can ensure complete methane conversion and stable bed temperature. Thus, it may be concluded that lean methane (1%−3%) can be mitigated by thermal oxidation without worrying about the bed temperature runaway or explosion.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 4","pages":"Pages 595-606"},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140536562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Research progress on CO2 catalytic conversion to value-added oxygenates 二氧化碳催化转化为高附加值含氧化合物的研究进展

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60404-9

Yongheng LI, Chongchong WU, Wenbo WANG, Jing XIN, Xiaotong MI, Guoming YANG, Mengjun SU, Siran ZHANG, Hongbao LI

引用次数: 0

Progress in design and application research of nitrogen carrier in chemical looping ammonia synthesis technology 化学循环合成氨技术中氮载体的设计与应用研究进展

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60397-4

Zhouting GONG , Tan ZHANG , Na LI , Yanyan YANG , Shoujun IU , Jie ZHENG , Zhongliang YU , Song ANG

{"title":"Progress in design and application research of nitrogen carrier in chemical looping ammonia synthesis technology","authors":"Zhouting GONG , Tan ZHANG , Na LI , Yanyan YANG , Shoujun IU , Jie ZHENG , Zhongliang YU , Song ANG","doi":"10.1016/S1872-5813(23)60397-4","DOIUrl":"https://doi.org/10.1016/S1872-5813(23)60397-4","url":null,"abstract":"<div><p>Ammonia is not only the main raw material of nitrogen fertilizer production, but also one of the energy carriers for the storage and conversion process of renewable energy. Therefore, the development of a mild ammonia synthesis technology has become an important research topic in recent years. The chemical looping ammonia synthesis technology decouples the ammonia synthesis reaction into several steps, including the nitrogen fixation and the ammonia release, which has the advantages of easy operation, mild reaction, and low energy consumption. As the key to the chemical looping ammonia synthesis, nitrogen carriers play the role of transferring energy and nitrogen species. However, the current low nitrogen fixation efficiency of nitrogen carriers severely limits the development of the chemical looping ammonia synthesis technology. Therefore, this article reviews the research on the design, preparation and application of nitrogen carriers for the chemical looping ammonia synthesis. Firstly, the design theory of nitrogen carrier is summarized; secondly, the current research status of nitrogen carrier is introduced, with a focus on how to improve the ammonia production rate of nitrogen carrier and the utilization rate of lattice nitrogen; finally, the opportunities and challenges of chemical looping ammonia synthesis technology are discussed, which provide a reference for the design and development of nitrogen carrier in the future.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 4","pages":"Pages 512-524"},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140536566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation on production of dimethyl carbonate from propylene carbonate and methanol on calcium cerium-based catalysts 关于在钙铈基催化剂上利用碳酸丙烯酯和甲醇生产碳酸二甲酯的研究

燃料化学学报 Pub Date : 2024-04-01 DOI: 10.1016/S1872-5813(23)60394-9

Jiong GUO , Jinhai ANG , Yilin SHI , Ning ZHAO , Fukui XIAO , Xindong JIANG

引用次数: 0

Performance of Cu-Mn-Zn/ZrO2 catalysts for methanol synthesis from CO2 hydrogenation: The effect of Zn content 用于二氧化碳加氢合成甲醇的 Cu-Mn-Zn/ZrO2 催化剂的性能：锌含量的影响

燃料化学学报 Pub Date : 2024-03-01 DOI: 10.1016/S1872-5813(23)60391-3

Shiwei WANG , Jinhai YANG , Hongli ZHOU , Fukui XIAO , Ning ZHAO

引用次数: 0

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