燃料化学学报最新文献

{"title":"Direct liquefaction behavior of Shenhua Shangwan coal under CO containing atmosphere","authors":"TANG Bowen,&nbsp;ZHANG Rui,&nbsp;LIU Haiyun,&nbsp;JIN Lijun,&nbsp;HU Haoquan","doi":"10.1016/S1872-5813(24)60451-2","DOIUrl":"10.1016/S1872-5813(24)60451-2","url":null,"abstract":"<div><div>Direct coal liquefaction (DCL) under CO or syngas atmosphere is beneficial to reduce the cost of hydrogen production. Effects of CO on liquefaction process of Shangwan coal were investigated by comparing the liquefaction behavior in three atmospheres of CO, H_2, and N₂. Then, effects of different CO/H₂ ratios and catalysts on the liquefaction process in syngas were investigated. The results indicated that the oil yield under CO atmosphere reached 43.1%, which was 4.2% lower than that under H₂, but 10.2% higher than that under N₂. The liquefaction performance was further improved by adding the Shenhua 863 catalyst. It is analyzed that CO promoted liquefaction in two ways: water-gas shift reaction and the reaction between CO and organic structures of coal. Through characterization of the products by GC-MS and FT-IR, it was found that CO makes benzenes, aliphatics, and oxygen-containing compounds in liquefied oil simultaneously increased. The effect on functional groups and free radicals concentration in the solid products was not obvious. The experimental results under syngas showed that the highest oil yield, 57.4%, can be obtained in DCL with 20% CO syngas, and further improved by increasing moisture content of coal appropriately. In addition, the Shenhua 863 catalyst had a good catalytic effect on the liquefaction process and also water-gas shift reaction.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 10","pages":"Pages 1375-1386"},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142532725","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}

{"title":"Mechanism of methanol synthesis from CO2 hydrogenation over Rh16/In2O3 catalysts: A combined study on density functional theory and microkinetic modeling","authors":"WANG Yuning ,&nbsp;GONG Jiesong ,&nbsp;ZHOU Jiabin ,&nbsp;CHEN Zhiyuan ,&nbsp;TIAN Dong ,&nbsp;NA Wei ,&nbsp;GAO Wengui","doi":"10.1016/S1872-5813(24)60460-3","DOIUrl":"10.1016/S1872-5813(24)60460-3","url":null,"abstract":"<div><div>In this study, the hydrogenation of carbon dioxide (CO₂) to methanol (CH₃OH) over Rh₁₆/In₂O₃ catalyst was studied through Density Functional Theory (DFT) and microdynamics modeling. The spontaneous dissociation mechanisms of H₂ and CO₂ adsorption at the Rh₁₆/In₂O₃ interface were investigated. The oxygen vacancies in In₂O₃ enhanced the adsorption process. Bader charge analysis revealed a marginal positive charge on Rh₁₆, elucidating the critical insights into the electronic characteristics and catalytic activity. The study established the RWGS+CO-Hydro pathway as the predominant mechanism for methanol synthesis, characterized by a sequential transformation of intermediates: CO₂*→COOH*→CO*+OH*→HCO*→CH₂O*→CH₂OH*→CH₃OH*. Furthermore, Degree of Reaction Rate Control (DRC) analysis conducted in the range of 373–873 K and 10^–2 to 10³ bar identified two principal kinetic phenomena: at lower temperature and higher pressure, the conversion of CO* + H* to HCO* significantly impacted the overall reaction rate. Conversely, at higher temperature, the step from CH₂O* + H* to CH₃O* was dominate.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 10","pages":"Pages 1462-1473"},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142532726","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}

{"title":"Hydrogen production via steam reforming of methanol on Cu/ZnO/Al2O3 catalysts: Effects of Al2O3 precursors","authors":"HUANG Min ,&nbsp;BO Qifei ,&nbsp;LI Juan ,&nbsp;QIAO Jingxuan ,&nbsp;YUAN Shanliang ,&nbsp;ZHANG Biao ,&nbsp;CHEN Honglin ,&nbsp;JIANG Yi","doi":"10.1016/S1872-5813(24)60459-7","DOIUrl":"10.1016/S1872-5813(24)60459-7","url":null,"abstract":"<div><div>A series of Cu/ZnO/Al₂O₃ catalysts were prepared by co-precipitation method. This research focuses on investigating the influence of different Al₂O₃ precursors on the catalyst structure through thorough structural characterization techniques. Additionally, the catalytic performance of these catalysts in methanol reforming for hydrogen production was systematically evaluated. The results indicate that the simultaneous co-precipitation of Al³⁺ with Cu²⁺ and Zn²⁺ leads to partial substitution of Cu-Zn in the basic carbonates by Al³⁺. This substitution forms a hydrotalcite-like structure and strengthens Zn-Al interactions. On the contrary, after the co-precipitation of Cu²⁺ and Zn²⁺, introducing the Al₂O₃ precursor has a positive effect on eliminating the adverse effects of Al³⁺ on Cu-Zn substitution in basic carbonates. This process promotes the Cu-ZnO interaction, facilitates the dispersion of CuO species, and enhances the reducibility of catalysts. It also improves the dispersion of Cu on the surface, and ultimately enhanced the catalytic activity. Notably, the catalyst prepared using pseudo-boehmite as the Al₂O₃ precursor exhibited the highest activity. Under the conditions of a H₂O/CH₃OH molar ratio of 1.2 and a reaction temperature of 493 K, methanol conversion reached 94.8%, and the H₂ space-time yield was 97.5 mol/(kg·h). The catalyst activity remained relatively stable after continuous operation for 25 h. Even after being heat-treated at 723 K for 10 h, the activity loss of the catalyst was only 5.37%.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 10","pages":"Pages 1443-1453"},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142532728","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}

{"title":"Cr-MIL-101 derived nano Cr2O3 for highly efficient dehydrogenation of n-hexane","authors":"LI Xiuyi,&nbsp;SHEN Haowei,&nbsp;XU Jiale,&nbsp;LI Chunyi","doi":"10.1016/S1872-5813(24)60458-5","DOIUrl":"10.1016/S1872-5813(24)60458-5","url":null,"abstract":"<div><div>Nano Cr₂O₃ (<em>n</em>-Cr₂O₃) was prepared by the thermolysis of the mesoporous Cr-MIL-101, and its catalytic performance for <em>n</em>-hexane dehydrogenation was investigated and compared with Cr₂O₃ obtained by traditional method. It is found that dehydrogenation of <em>n</em>-hexane on <em>n</em>-Cr₂O₃ catalyst can produce <em>n</em>-hexenes and benzene efficiently, and the catalytic performance is related to the calcination temperature. The optimal <em>n</em>-hexane conversion can be obtained on <em>n</em>-Cr₂O₃ calcinated under 600 °C, is 40.6%, and the selectivities to <em>n</em>-hexenes and benzene are 20.1% and 69.3%, respectively. The conversion of <em>n</em>-hexane for <em>n</em>-Cr₂O₃ catalyst is decreased with calcination temperature increase, while the catalyst stability in dehydrogenation reaction is enhanced. <em>n</em>-Hexane conversion of <em>p</em>-Cr₂O₃-1 (obtained by precipitation method) and <em>p</em>-Cr₂O₃-2 (calcinating Cr(NO₃)·9H₂O directly) catalysts are very low (&lt;7.5%), and their specific activity for <em>n</em>-hexane dehydrogenation are 1.5 and 1.7 g/(m²·h) respectively, lower than that of <em>n</em>-Cr₂O₃-600 (2.0 g/(m²·h)). The results of BET, XRD, TEM and FT-IR reveal that <em>n</em>-Cr₂O₃ is the nanoparticles with large specific surface area that more dehydrogenation active sites are exposed, while <em>p</em>-Cr₂O₃ is the large particles with extremely low surface area that few dehydrogenation active sites are presented. By contrast, industrial Cr₂O₃/Al₂O₃ catalyst possesses the highest specific activity of 2.4 g/(m²·h) due to the dispersion effect of Al₂O₃. Therefore, highly catalytic activity of <em>n</em>-Cr₂O₃ for <em>n</em>-hexane dehydrogenation is attributed to the unique properties of small particle, large specific surface area and more exposed active sites. This work not only explains the high dehydrogenation activity of nano-Cr₂O₃ derived by Cr-MIL-101, but also provides guidance for the precise design and synthesis of high-performance CrO_<em>x</em>-based catalyst for the dehydrogenation of alkanes.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 10","pages":"Pages 1506-1515"},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142532729","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}

{"title":"Effect of the RhnNin alloy cluster size on the catalytic performance of RhnNin/TiO2 in the conversion of syngas to ethanol","authors":"ZHANG Jingjing ,&nbsp;LING Lixia ,&nbsp;MA Caiping ,&nbsp;ZHANG Riguang ,&nbsp;WANG Baojun","doi":"10.1016/S1872-5813(24)60454-8","DOIUrl":"10.1016/S1872-5813(24)60454-8","url":null,"abstract":"<div><div>The direct conversion of syngas to ethanol on the Rh_<em>n</em>Ni_<em>n</em>/TiO₂ (<em>n</em> = 1, 2, 3, 4) catalyst has been investigated by using the density functional theory (DFT) and micro-kinetic methods, in order to elucidate the regulatory mechanism of Rh_<em>n</em>Ni_<em>n</em> alloy cluster size-induced metal-support interaction on the catalytic performance of Rh_<em>n</em>Ni_<em>n</em>/TiO₂ in the ethanol synthesis. The results indicate that Rh₁Ni₁/TiO₂ and Rh₃Ni₃/TiO₂ can significantly enhance the conversion of CO and the formation of C–C bond and meanwhile inhibit the generation of methane. Rh₁Ni₁/TiO₂ exhibits the highest ethanol production activity and relative selectivity. The electronic property analysis results suggest that Ni atoms on the alloy clusters and Ti and O atoms on the supports transfer the most charge to the Rh atoms on the Rh₁Ni₁/TiO₂ catalyst, which displays the strongest Rh-Ni interaction on the alloy clusters as well as the strongest interaction between the alloy clusters and the TiO₂ support, endowing Rh₁Ni₁/TiO₂ with the highest catalytic activity. In addition, the Ab-initio molecular dynamics (AIMD) simulations at 525 K show that the Rh₁Ni₁/TiO₂ catalyst has high thermal stability.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 10","pages":"Pages 1475-1494"},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142532727","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}

{"title":"A thermodynamic consideration on the synthesis of methane from CO, CO2, and their mixture by hydrogenation","authors":"WANG Han ,&nbsp;GUO Shujia ,&nbsp;QIN Zhangfeng ,&nbsp;LI Zhikai ,&nbsp;WANG Guofu ,&nbsp;DONG Mei ,&nbsp;FAN Weibin ,&nbsp;WANG Jianguo","doi":"10.1016/S1872-5813(24)60449-4","DOIUrl":"10.1016/S1872-5813(24)60449-4","url":null,"abstract":"<div><div>The synthesis of methane from CO and CO₂ by hydrogenation is now considered as a promising route in effectively storing hydrogen energy as well as sustainably producing fuels and chemicals, while many reaction details involved in such processes, in particular for the hydrogenation of the CO and CO₂ mixture, are not yet adequately understood. As a supplement to our previous works on the hydrogenation of CO and CO₂ into alcohols and hydrocarbons, a thermodynamic consideration is made in this work to evaluate the potential and limit for the synthesis of methane from CO, CO₂, and their mixture in particular. The results consolidate that in comparison with single CO or CO₂, their mixture is probably more credible in practice for the production of methane by hydrogenation, where the overall C-based methane yield can be used as the major index to evaluate the process efficiency. The hydrogenation of CO shows a higher equilibrium yield of methane than the hydrogenation of CO₂, while the overall C-based equilibrium yield of methane for the hydrogenation of the CO and CO₂ mixture just lies in between and decreases almost lineally with the increase of the CO₂/(CO+CO₂) molar ratio in the feed, despite the great change in the equilibrium conversions of CO and CO₂ with the feed composition. Nevertheless, an adequate overall C-based equilibrium yield of methane (&gt; 85%) can be achieved at a temperature lower than 400 °C and a pressure higher than 0.1 MPa for the stoichiometric hydrogenation of CO, CO₂, or their mixture whichever. These results should be beneficial to the design of more efficient catalysts and processes for the hydrogenation of CO/CO₂ to methane.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 10","pages":"Pages 1453-1461"},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142532813","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}

{"title":"Corrosion behavior of co-gasification slag of furfural residue and coal on alumina-silica refractories","authors":"MA Xiaotong ,&nbsp;WANG Zhigang ,&nbsp;LU Hao ,&nbsp;LIU Wei ,&nbsp;WANG Yanxia ,&nbsp;ZHAO Jiangshan ,&nbsp;SUN Lingmin ,&nbsp;YAN Jingchong ,&nbsp;ZHUANG Shujuan ,&nbsp;LI Huaizhu ,&nbsp;KONG Lingxue","doi":"10.1016/S1872-5813(24)60461-5","DOIUrl":"10.1016/S1872-5813(24)60461-5","url":null,"abstract":"<div><div>Gasification of furfural residue with coal can realize its efficient and clean utilization. But the high alkali metal content in furfural slag is easy to cause the corrosion of gasifier refractory. Two gasification coals with different silica alumina ratio and a furfural residue were selected in the study. The effects of furfural residue additions on corrosion of silica brick, corundum brick, high alumina brick and mullite brick were investigated by using XRD, SEM-EDS and Factsage Software, and the corrosion mechanism was analyzed. With increasing furfural residue addition, the permeability of the slags to high-aluminium-bearing refractories first decreases and then increases, while the permeability on silica brick shows a slight decrease trend. Leucite (KAlSi₂O₆) with high-melting temperature is generated from the reaction of K₂O and SiO₂ in slag with Al₂O₃ in refractories after furfural residue is added, which hinders the infiltration of slag in refractories. Kaliophilite (KAlSiO₄) of low-melting point is formed when K₂O content increases, and this contributes to the infiltration of slag in refractories. The acid-base reaction between slag and silica brick is distinctly occurred, more slag reacts with SiO₂ in the silicon brick, resulting in a decrease in the amount of slag infiltrating into the silicon brick as furfural residue is added. The corrosion of silica brick is mainly caused by the acid-base reaction, while the corrosion of three alumina based refractory bricks of corundum, mullite and high alumina brick is determined by slag infiltration. A linear correlation between the percolation rate and slag viscosity is established, the slag permeability increases with decreasing viscosity, resulting in stronger permeability for the high Si/Al ratio slag with lower viscosity.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 10","pages":"Pages 1387-1397"},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142532730","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}

{"title":"Investigating the coking performance of ethylene residue pitch components","authors":"ZHANG Tongtong ,&nbsp;ZHU Huihui ,&nbsp;ZHU Yaming ,&nbsp;HU Chaoshuai ,&nbsp;LÜ Jun ,&nbsp;CHENG Junxia ,&nbsp;BAI Yonghui ,&nbsp;ZHAO Xuefei","doi":"10.1016/S1872-5813(24)60453-4","DOIUrl":"10.1016/S1872-5813(24)60453-4","url":null,"abstract":"<div><p>Ethylene residue pitch (ETP, the heavy component in ethylene residue tar) is widely used as a preferred raw material for preparing petroleum-based artificial carbon materials characterized by high carbon content, high aromaticity, and low heteroatom (S, N) content. To investigate the coking properties of ETP, eight components of ETP (four soluble and four insoluble components) were obtained via extraction and separation using methanol, <em>n</em>-butanol, <em>n</em>-hexane, and dimethyl sulfoxide as solvents. The thermal conversion (temperature = 500 °C) and carbonization treatment (temperature =1400 °C) were carried out on each pitch component. The basic physical properties of ETP components were observed using infrared spectroscopy, thermogravimetric analysis, and ¹H-NMR. The microstructure of the petroleum-based pitch coke was studied using polarizing microscopy, X-ray single crystal diffraction (XRD), Raman spectroscopy, and scanning electron microscopy. The aromaticity of the insoluble components in ETP was slightly higher than that of soluble components, and the insoluble components had slightly fewer branching chains than those in soluble components. The microstrength of the ETP coke obtained using insoluble components was higher than that obtained using soluble components, and the true density of ETP coke HS-C was as high as 2.0554 g/cm³.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 9","pages":"Pages 1348-1360"},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142164372","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}

{"title":"Regulating crystal phase of TiO2 to enhance catalytic activity of Ni/TiO2 for solar-driven dry reforming of methane","authors":"HE Zhanjun ,&nbsp;GONG Kun ,&nbsp;DAI Yuanyuan ,&nbsp;NIU Qiang ,&nbsp;LIN Tiejun ,&nbsp;ZHONG Liangshu","doi":"10.1016/S1872-5813(24)60452-4","DOIUrl":"10.1016/S1872-5813(24)60452-4","url":null,"abstract":"<div><p>Ni/TiO₂ catalyst is widely employed for photo-driven DRM reaction while the influence of crystal structure of TiO₂ remains unclear. In this work, the rutile/anatase ratio in supports was successfully controlled by varying the calcination temperature of anatase-TiO₂. Structural characterizations revealed that a distinct TiO_<em>x</em> coating on the Ni nanoparticles (NPs) was evident for Ni/TiO₂-700 catalyst due to strong metal-support interaction. It is observed that the TiO_<em>x</em> overlayer gradually disappeared as the ratio of rutile/anatase increased, thereby enhancing the exposure of Ni active sites. The exposed Ni sites enhanced visible light absorption and boosted the dissociation capability of CH₄, which led to the much elevated catalytic activity for Ni/ TiO₂-950 in which rutile dominated. Therefore, the catalytic activity of solar-driven DRM reaction was significantly influenced by the rutile/anatase ratio. Ni/TiO₂-950, characterized by a predominant rutile phase, exhibited the highest DRM reactivity, with remarkable H₂ and CO production rates reaching as high as 87.4 and 220.2 mmol/(g·h), respectively. These rates were approximately 257 and 130 times higher, respectively, compared to those obtained on Ni/TiO₂-700 with anatase. This study suggests that the optimization of crystal structure of TiO₂ support can effectively enhance the performance of photothermal DRM reaction.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 9","pages":"Pages 1203-1213"},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163666","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}

{"title":"Effect of Mg modification on the catalytic performance of zinc malachite for methanol synthesis","authors":"YUAN Zhiguo ,&nbsp;ZHANG Fan ,&nbsp;YANG Shili ,&nbsp;XU Xiaoying ,&nbsp;LIU Chenyang ,&nbsp;QIU Zhengpu ,&nbsp;WEI Wei","doi":"10.1016/S1872-5813(24)60455-X","DOIUrl":"10.1016/S1872-5813(24)60455-X","url":null,"abstract":"<div><p>The complex conditions of methanol production from coke-oven gas have brought challenges to the copper-based methanol synthesis catalyst. In this work, a series of zinc-malachite samples with different Mg contents were prepared. The zinc-malachite and calcined samples were characterized by <em>in-situ</em> X-ray diffraction (XRD), thermogravimetry-mass spectrometry (TG-MS), N₂ physical adsorption, H₂ programmed temperature reduction (H₂-TPR), CO₂ programmed temperature desorption (CO₂-TPD) and other methods. The effects of Mg addition on the structure of zinc-malachite and its catalytic performance of methanol synthesis were investigated. The results showed that the addition of Mg increased the degree of Cu substitution inside the zinc-malachite structure and promoted the formation of high temperature carbonates in the catalyst after roasting. With the increase of Mg content, the specific surface area of the calcined catalyst increased gradually, and the Cu grain size decreased simultaneously. <em>In-situ</em> XRD results showed that a small amount of Mg could effectively inhibit the growth of copper grain size during the heat treatment. The evaluation showed that the initial activity of the catalyst increased first and then decreased with Mg addition, and the activity of the Mg-doped catalyst remained at a relatively high level after heat treatment. The appropriate Mg addition is beneficial to the initial activity and thermal stability of Cu-based methanol synthesis catalyst.</p></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"52 9","pages":"Pages 1249-1255"},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S187258132460455X/pdf?md5=4b9a6e1d688f9e9c3a399a64629a322f&pid=1-s2.0-S187258132460455X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}