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Crystalline porous materials:from zeolites to metal-organic frameworks(MOFs)

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Frontiers of Chemical Science and Engineering 2020年第2期14卷 123-126页

作者： zaiku xie Bao-Lian Su State Key Laboratory of Green Chemical Engineering and Industrial Catalysis Sinopec Shanghai Research Institute of Petrochemical TechnologyShanghai 201208China Laboratory of Inorganic Materials Chemistry(CMI) University of NamurNamurBelgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430074China

As a class of important crystalline porous materials,zeolites which were first found in 1756 have now been widely used in chemical industries for catalysis,adsorption and separation.35232 patents with the title including Hzeolite*n are documented by Derwent Innovations Index on January 2,2020[1].Despite of spread applications of zeolites and related-materials in industry,fundamental research of zeolites and their applications are still desired in both academia and industry,as shown in Fig.1.

关键词： porous zeolites zeolite

Understanding Zeolites Catalyzed Methanol-to-Olefins Conversion from Theoretical Calculations

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Chinese Journal of Chemistry 2018年第5期36卷 381-386页

作者： Chuanming Wang Yangdong Wang zaiku xie State Key Laboratory of Green Chemical Engineering and Industrial Catalysis SINOPEC Shanghai Research Institute of Petrochemical TechnologyShanghai 20120B Ch{na

Zeolites catalyzed methanol-to-olefins （MTO） conversion provides an alternative process to produce light olefins such as ethene and propene from nonpetroleum resources. Despite of successful industrialization of the MTO process, its detailed reaction mechanism is not yet well understood. Here we summarize our work on the hydrocarbon pool reaction mechanism based on theoretical calculations. We proposed that the olefins themselves are likely to be the dominating hydrocarbon pool species, and the distribution of cracking precursors and diffusion constraints affect the selectivity. The similarities between aromatic-based and olefin-based cycles are highlighted.

关键词： zeolite catalysis methanol-to-olefins conversion hydrocarbon pool mechanism computational catalysis density functional theory

The essential mass transfer step in hierarchical/nano zeolite:surface diffusion

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National Science Review 2020年第11期7卷 1630-1632页

作者： Jian Zhou Wei Fan Yangdong Wang zaiku xie State Key Laboratory of Green Chemical Engineering and Industrial Catalysis Shanghai Research Institute of Petrochemical TechnologySINOPEC Department of Chemical Engineering University of Massachusetts Amherst SINOPEC

An important topic in zeolite catalyst design is how to improve utilization efficiency of active sites in micropores by upgrading the effective diffusivity of reactants/products in zeolite crystal particles [1]. Nano-and hierarchical structures have drawn lots of attention in zeolitic catalysis fields in recent years, because these two methods can obviously improve the catalysis efficiency by shortening the configuration diffusion length [2].

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Insight into the topology effect on the diffusion of ethene and propene in zeolites: A molecular dynamics simulation study

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Journal of Energy Chemistry 2013年第6期22卷 914-918页

作者： Chuanming Wang Bowei Li Yangdong Wang zaiku xie Shanghai Research Institute of Petrochemical Technology SINOPEC School of Chemistry and Molecular Engineering East China University of Science and Technology

Selectivity control is a difficult scientific and industrial challenge in methanol-to-olefins(MTO)*** has been experimentally established that the topology of zeolite catalysts influenced the distribution of *** the topology effect on reaction kinetics,the topology influences the diffusion of reactants and products in catalysts as *** this work,by using COMPASS force-field molecular dynamics method,we investigated the intracrystalline diffusion of ethene and propene in four different zeolites,CHA,MFI,BEA and FAU,at different *** self-diffusion coefficients and diffusion activation barriers were calculated.A strong restriction on the diffusion of propene in CHA was observed because the self-diffusion coefficient ratio of ethene to propene is larger than 18 and the diffusion activation barrier of propene is more than 20 kJ/mol in *** ratio decreases with the increase of temperature in the four investigated *** shape selectivity on products from diffusion perspective can provide some implications on the understanding of the selectivity difference between HSAPO-34 and HZSM-5 catalysts for the MTO conversion.

关键词： methanol-to-olefins conversion diffusion zeolites ethene propene molecular dynamics simulation

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Applied catalysis for sustainable development of chemical industry in China

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National Science Review 2015年第2期2卷 167-182页

作者： zaiku xie Zhicheng Liu Yangdong Wang Zhonghao Jin China Petroleum & Chemical Corporation Sinopec Shanghai Research Institute of Petrochemical Technology

Progressing green chemical technologies is signiicant to the sustainable development of chemical industry in China, as the energy and environment problems increasingly became great challenges to the whole society. he scientiic connotation of sustainable energy chemical engineering can be generalized as green carbon/hydrogen science which means optimization of carbon/hydrogen atom economics based on high eicient catalysis and low-carbon emission. his review illustrated recent advances in developing sustainable technologies for applied catalysis in chemical industry of China, including the ields of high eicient conversion of heavy oil, green petrochemical catalytic technologies, clean utilization of coal and natural gas, promoting sustainable resources and clean energy, etc. Moreover, from the view of industrial point, some important common scientiic problems were discussed and summarized, such as the relation between molecular difusion and catalyzing eiciency, homogeneous catalysis in heterogeneous catalysts,in situ or operando characterization of industrial catalysis, etc., aiming to supplying a forward roadmap to academia and/or industry.

关键词： applied catalysis catalytic eiciency green carbon/hydrogen science green petrochemical technology coal chemical technology bioma

Hydrogen-based industry:a prospective transition pathway toward a low-carbon future

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National Science Review 2023年第9期10卷 13-15页

作者： Yunlv Cheng Renyang Zheng Zhicheng Liu zaiku xie China Petroleum & Chemical Corporation State Key Laboratory of Green Chemical Engineering and Industrial Catalysis SINOPEC Shanghai Research Institute of Petrochemical Technology

IMPORTANCE OF THE HYDROGEN-BASED INDUSTRY The process industry,a vital part of the national economy,is currently being challenged by excessive energy consumption and high *** is time to promote the transition to a greener and more sustainable ***,a widely used r aw materi al and flexible energy carrier,is expected to speed up the decarbonization of industry and transportation sectors.

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Shape selective catalysis in methylation of toluene： Development, challenges and perspectives

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Frontiers of Chemical Science and Engineering 2018年第1期12卷 103-112页

作者： Jian Zhou Zhicheng Liu Yangdong Wang Dejin Kong zaiku xie Shanghai Research Institute of Petrochemical Technology S/NOPEC Shanghai 201208 China SINOPEC Beijing 100027 China

Toluene methylation with methanol offers an alternative method to produce p-xylene by gathering methyl group directly from C1 chemical sources. It supplies a ＂molecular engineering＂ process to realize directional conversion of toluene/methanol molecules by selective catalysis in complicated methylation system. In this review, we introduce the synthesis method ofp-xylene, the development history of methylation catalysts and reaction mechanism, and the effect of reaction condition in para-selective technical process. If constructing p-xylene as the single target product, the major challenge to develop para-selective toluene methylation is to improve the p-xylene selectivity without, or as little as possible, losing the fraction of methanol for methylation. To reach higher yield ofp-xylene and more methanol usage in methylation, zeolite catalyst design should consider improving mass transfer and afterwards coveting external acid sites by surface modification to get short ＂micro-tunnels＂ with shape selectivity. A solid understanding of mass transfer will benefit realizing the aim of converting more methanol feedstock into para-methyl group.

关键词： shape selective catalysis methylation of toluene

Effect of Water Vapour on the Acidity of ZSM-5 Zeolite Used for Catalytic Cracking of Naphtha to Manufacture Ethylene and Propylene

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China Petroleum Processing & Petrochemical Technology 2008年第4期10卷 33-39页

作者： Ma Guangwei Xiao Jingxian ZhangHuining xie zaiku Shanghai Research Institute of Petrochemical Technology SINOPEC Shanghai 201208

The change in acidity of the ZSM-5 zeolite was investigated after it was treated with water vapour, and its capability on ammonia adsorption was also studied after having adsorbed water vapour. The effect of water vapour on products distribution was studied during catalytic cracking of naphtha, the changes in the adsorption ability and catalytic performance of the ZSM-5 zeolite was investigated after the catalyst was loaded with phosphorus species. These results all indicated that water vapour could reduce the acid strength and acid density of ZSM-5 zeolite and affect the capability of ZSM-5 on adsorption of gases, therefore the activated energy contributed by the ZSM-5 zeolite to the catalytic cracking reaction would be low to prevent the feedstock from deepened catalytic cracking and coke formation.

关键词： water vapor acidity catalytic cracking ethylene propylene

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Oxidative dehydrogenation of propane over Ni-Mo-Mg-O catalysts

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Journal of Natural Gas Chemistry 2012年第1期21卷 43-48页

作者： Lin Wang Wei Chu Chengfa Jiang Yuefeng Liu Jie Wen zaiku xie Department of Chemical Engineering Sichuan UniversityChengdu 610065SichuanChina Shanghai Research Institute of Petrochemical Technology SINOPECShanghai 201209China

In this work, a series of Ni-Mo-Mg-O catalysts with mesoporous structure prepared by sol-gel method were investigated for the oxidative dehydrogenation of propane （ODHP）. The techniques of temperature-programmed reduction with H2 （H2-TPR）, N2 adsorption-desolption, Fourier transform infrared spectroscopy （FT-IR）, X-ray diffraction （XRD） and X-ray photoelectron spectra （XPS） were employed for catalyst characterization. It is found that the activity of the catalysts for ODHP increases first and then decreases with the increase of Mo content. The catalyst with a Mo/Ni atomic ratio of 1/1 exhibits the best catalytic activity, which gives the propene selectivity of 81.4% at a propane conversion of 11.3% under 600 ~C and maintains the good catalytic performance for 22 h on stream. This is related not only to its high reducibility and dispersion as revealed by TPR and XRD, but also to the formation of more selective oxygen species on the MoOz-NiO interface as identified by XPS.

关键词： nickel oxide molybdenum oxide mole ratio oxidative dehydrogenation of propane propene

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