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First-principles microkinetic simulations revealing the driving effect of zeolite in bifunctional catalysts for the conversion of syngas to olefins
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作者 Wende Hu Jun Ke +1 位作者 Yangdong Wang Chuanming Wang 《Chinese Journal of Catalysis》 2025年第6期222-233,共12页
Direct conversion of syngas to light olefins(STO)on bifunctional catalysts has garnered significant attention,yet a comprehensive understanding of the reaction pathway and reaction kinetics remains elusive.Herein,we t... Direct conversion of syngas to light olefins(STO)on bifunctional catalysts has garnered significant attention,yet a comprehensive understanding of the reaction pathway and reaction kinetics remains elusive.Herein,we theoretically addressed the kinetics of the direct STO reaction on typical ZnAl_(2)O_(4)/zeolite catalysts by establishing a complete reaction network,consisting of methanol synthesis and conversion,water gas shift(WGS)reaction,olefin hydrogenation,and other relevant steps.The WGS reaction occurs very readily on ZnAl_(2)O_(4) surface whereas which is less active towards alkane formation via olefin hydrogenation,and the latter can be attributed to the characteristics of the H_(2) heterolytic activation and the weak polarity of olefins.The driving effect of zeolite component towards CO conversion was demonstrated by microkinetic simulations,which is sensitive to reaction conditions like space velocity and reaction temperature.Under a fixed ratio of active sites between oxide and zeolite components,the concept of the“impossible trinity”of high CO conversion,high olefin selectivity,and high space velocity can thus be manifested.This work thus provides a comprehensive kinetic picture on the direct STO conversion,offering valuable insights for the design of each component of bifunctional catalysts and the optimization of reaction conditions. 展开更多
关键词 Syngas to olefins Bifunctional catalysis Microkinetic simulations Driving effect Impossible trinity ZnAl_(2)O_(4)oxide
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Oxidation of Methacrolein to Methacrylic Acid over Cu,P,Mo,V-Composites
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作者 Weihua Wang Wenjie Xu +5 位作者 Nan Zhang Mingming Chen Jingqing Zhang Hongxing Liu Jianqiang Wang Yongfeng Hu 《Energy & Environmental Materials》 2025年第5期264-273,共10页
The purpose of this study is to develop novel P-Mo-V heteropoly compound catalysts for the oxidation of methacrolein to methacrylic acid.The introduction of Cu,as a modifying element,was employed to enhance the cataly... The purpose of this study is to develop novel P-Mo-V heteropoly compound catalysts for the oxidation of methacrolein to methacrylic acid.The introduction of Cu,as a modifying element,was employed to enhance the catalytic performance.Experimental results show that the addition of Cu significantly improved the catalyst performance,increasing the conversion rate of methacrolein from 17.2%to 84.2%,while the yield of methacrylic acid was boosted from 5.5%to 51.7%.A series of characterization results showed that both P-Mo-V and Cu-P-Mo-V catalysts primarily exhibited the crystal phase of[PMo_(12)O_(40)]^(3−),with a small amount of[PMo_(11)VO_(40)]^(3−)phase.However,the Cu-P-Mo-V catalyst exhibited much better oxidation–reduction ability compared to the P-Mo-V catalyst.Isolated Cu atoms were found to exist in a highly decentralized tetrahedral coordination structure,bridged by oxygen atoms within the heteropoly compound framework.The addition of Cu resulted in notable alterations in the modulation of the surface electronic structure,enhancement of oxidation–reduction ability,and optimization of the reaction pathway,thereby improving the overall catalytic activity of the catalyst.This study not only provides new insights into the modification of P-Mo-V heteropoly compound catalysts but also lays a foundation for understanding their catalytic mechanisms in organic synthesis reactions,demonstrating the potential of modifying elements in improving catalyst performance. 展开更多
关键词 cu p mo v-composite heteropoly compounds METHACROLEIN methacrylic acid OXIDATION
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Enriching framework Al sites in 8-membered rings of Cu-SSZ-39 zeolite to enhance low-temperature ammonia selective catalytic reduction performance
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作者 Keyan Jin Jinfeng Han +7 位作者 Yingzhen Wei Yunzheng Wang Jing Li Zhongqi Liu Yulong Shan Ran Jia Wenfu Yan Jihong Yu 《Chinese Journal of Catalysis》 2025年第11期292-302,共11页
The distributions of framework aluminum(Al)in zeolites critically govern the location and speciation of active copper(Cu)centers,thereby influencing their performance in ammonia selective catalytic reduction(NH_(3)-SC... The distributions of framework aluminum(Al)in zeolites critically govern the location and speciation of active copper(Cu)centers,thereby influencing their performance in ammonia selective catalytic reduction(NH_(3)-SCR)of nitrogen oxides(NO_(x)).Conventional Cu-SSZ-39(Cu-SSZ-39-T)exhibits excellent hydrothermal stability but limited low-temperature activity(150–225℃)due to a low concentration of Al in 8-membered rings(8MRs)that inhibits the formation of active[Cu(OH)]^(+)-Z species.Herein,an SSZ-39 zeolite synthesized with potassium ions(SSZ-39-K)achieved a significantly higher 8MR Al fraction(37.6%).Density functional theory calculations and H_(2)-temperature-programmed reduction analyses confirmed that the increased 8MR Al population facilitated the formation of[Cu(OH)]^(+)-Z species.Aged Cu-SSZ-39-K exhibited nearly twice the NO_(x)conversion of aged Cu-SSZ-39-T in the 150–225℃range while maintaining comparable high-temperature activity(250–550℃)under a gas hourly space velocity of 250,000 h^(-1).Enhanced low-temperature performance is particularly beneficial for mitigating NO_(x)emissions during cold-start phase.Moreover,SSZ-39-K was synthesized with a high crystallization yield(~65%),nearly double the highest yield(33%)reported for direct synthesis routes.This work establishes a robust strategy for tailoring Al distributions in SSZ-39 zeolites,offering an effective pathway to improve low-temperature NH_(3)-SCR performance and promote practical implementation. 展开更多
关键词 SSZ-39 zeolite Al regulation Low-temperature activity Ammonia selective catalytic reduction Enriching framework Al sites
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Controllable direct-syntheses of delaminated MWW-type zeolites 被引量:11
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作者 Zhendong Wang Magdalena OCichocka +4 位作者 Yi Luo Bin Zhang Hongmin Sun Yi Tang Weimin Yang 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2020年第7期1062-1066,共5页
A method for the direct syntheses of partially and fully delaminated MWW zeolites is reported herein.Two organic amines were introduced into the hydrothermal synthetic system:hexamethyleneimine(HMI),which acted as the... A method for the direct syntheses of partially and fully delaminated MWW zeolites is reported herein.Two organic amines were introduced into the hydrothermal synthetic system:hexamethyleneimine(HMI),which acted as the structure-directing agent for the MWW layered structure;and dicyclohexylamine(DCHA),in the role of an in-situ delaminating agent.By varying the amount of DCHA,partially and fully delaminated MWW zeolites having two MWW structure layers and one single layer,respectively,were obtained.These were denoted as SCM-1(Sinopec Composite Material)and SCM-6,respectively.The delaminated materials possess ultra-large external surface areas,and the transmission electron microscopy images illustrated their layered nature.In the reaction of liquid phase benzene alkylation with ethylene,SCM-1,the double-layered MWW zeolite,exhibited far superior catalytic performance compared to zeolite MCM-22. 展开更多
关键词 ZEOLITE MWW ALKYLATION ETHYLBENZENE DELAMINATION Catalysis
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Deactivation mechanism of beta-zeolite catalyst for synthesis of cumene by benzene alkylation with isopropanol 被引量:7
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作者 Yefei Liu Yang Zou +2 位作者 Hong Jiang Huanxin Gao Rizhi Chen 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2017年第9期1195-1201,共7页
The alkylation of benzene with isopropanol over beta-zeolite is a more cost-effective solution to cumene production. During the benzene alkylation cycles, the cumene selectivity slowly increased, while the benzene con... The alkylation of benzene with isopropanol over beta-zeolite is a more cost-effective solution to cumene production. During the benzene alkylation cycles, the cumene selectivity slowly increased, while the benzene conversion presented the sharp decrease due to catalyst deactivation. The deactivation mechanism of betazeolite catalyst was investigated by characterizing the fresh and used catalysts. The XRD, SEM and TEM results show that the crystalline and particle size of the beta-zeolite catalyst almost remained stable during the alkylation cycles. The drop in catalytic activity and benzene conversion could be explained by the TG, BET,NH_3-TPD and GC–MS results. The organic matters mainly consisted of ethylbenzene, p-xylene and 1-ethyl-3-(1-methyl) benzene produced in the benzene alkylation deposited in the catalyst, which strongly reduced the specific surface area of beta-zeolite catalyst. Moreover, during the reaction cycles, the amount of acidity also significantly decreased. As a result, the catalyst deactivation occurred. To maintain the catalytic performance,the catalyst regeneration was carried out by using ethanol rinse and calcination. The deactivated catalyst could be effectively regenerated by the calcination method and the good catalytic performance was obtained. 展开更多
关键词 CUMENE BENZENE ISOPROPANOL ALKYLATION BETA-ZEOLITE Catalyst deactivation
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Experiment and Modeling of Pure and Binary Adsorption of n-Butane and Butene-1 on ZSM-5 Zeolites with Different Si/Al Ratios 被引量:6
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作者 王斐 汪文川 +2 位作者 黄世萍 滕加伟 谢在库 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2007年第3期376-386,共11页
Four ZSM-5 zeolite catalysts with different Si/Al ratios for the catalytic cracking of C4 fractions to produce ethylene and propylene were prepared in this study.First,the adsorption isotherms of pure n-butane and but... Four ZSM-5 zeolite catalysts with different Si/Al ratios for the catalytic cracking of C4 fractions to produce ethylene and propylene were prepared in this study.First,the adsorption isotherms of pure n-butane and butene-1 and their mixtures on these catalysts at 300K and p=0—100kPa were measured using the intelligent gra- vimetric analyzer.The experimental results indicate that the presence of Al can significantly affect the adsorption of butene-1 than that of n-butane on ZSM-5 zeolites.Then,the double Langmuir(DL)model was applied to study the pure gas adsorption on ZSM-5 zeolites for pure n-butane and butene-1.By combining the DL model with the ideal adsorbed solution theory(IAST),the IAST-DL model was applied to model the butene-1(1)/n-butane(2)binary mixture adsorption on ZSM-5 zeolites with different Si/Al ratios.The calculated results are in good agreement with the experimental data,indicating that the IAST-DL model is effective for the present systems.Finally,the adsorp- tion over a wide range of variables was predicted at low pressure and 300K by the model proposed.It is found that the selectivity of butene-1 over n-butane increases linearly with the decrease of Si/Al ratio.A correlation between the selectivity and Si/Al ratio of the sample was proposed at 300K and p=0.08MPa. 展开更多
关键词 ZSM-5 zeolite N-BUTANE BUTENE-1 -adsorption isotherm Si/Al ratio SELECTIVITY
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Insight into the topology effect on the diffusion of ethene and propene in zeolites: A molecular dynamics simulation study 被引量:5
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作者 Chuanming Wang Bowei Li +1 位作者 Yangdong Wang Zaiku Xie 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2013年第6期914-918,共5页
Selectivity control is a difficult scientific and industrial challenge in methanol-to-olefins(MTO)conversion.It has been experimentally established that the topology of zeolite catalysts influenced the distribution of... Selectivity control is a difficult scientific and industrial challenge in methanol-to-olefins(MTO)conversion.It has been experimentally established that the topology of zeolite catalysts influenced the distribution of products.Besides the topology effect on reaction kinetics,the topology influences the diffusion of reactants and products in catalysts as well.In 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 temperatures.The 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 CHA.This ratio decreases with the increase of temperature in the four investigated zeolites.The 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. 展开更多
关键词 methanol-to-olefins conversion diffusion zeolites ETHENE PROPENE molecular dynamics simulation
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Scalable synthesis of Na_(3)V_(2)(PO_(4))_(3)/C with high safety and ultrahigh-rate performance for sodium-ion batteries 被引量:6
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作者 Guijia Cui Hong Wang +5 位作者 Fengping Yu Haiying Che Xiaozhen Liao Linsen Li Weimin Yang Zifeng Ma 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2022年第6期280-286,共7页
NASICON-type Na_(3)V_(2)(PO_(4))_(3) is a promising electrode material for developing advanced sodium-ion batteries.Preparing Na_(3)V_(2)(PO_(4))_(3) with good performance by a cost-effective and large-scale method is... NASICON-type Na_(3)V_(2)(PO_(4))_(3) is a promising electrode material for developing advanced sodium-ion batteries.Preparing Na_(3)V_(2)(PO_(4))_(3) with good performance by a cost-effective and large-scale method is significant for industrial applications.In this work,a porous Na_(3)V_(2)(PO_(4))_(3)/C cathode material with excellent electrochemical performance is successfully prepared by an agar-gel combined with freeze-drying method.The Na_(3)V_(2)(PO_(4))_(3)/C cathode displayed specific capacities of 113.4 mAh·g^(-1),107.0 mAh·g^(-1) and 87.1 mAh·g^(-1) at 0.1 C,1 C and 10 C,respectively.For the first time,the 500-mAh soft-packed symmetrical sodium-ion batteries based on Na_(3)V_(2)(PO_(4))_(3)/C electrodes are successfully fabricated.The 500-mAh symmetrical batteries exhibit outstanding low temperature performance with a capacity retention of 83%at 0℃ owing to the rapid sodium ion migration ability and structural stability of Na_(3)V_(2)(PO_(4))_(3)/C.Moreover,the thermal runaway features are revealed by accelerating rate calorimetry(ARC)test for the first time.Thermal stability and safety of the symmetrical batteries are demonstrated to be better than lithium-ion batteries and some reported sodium-ion batteries.Our work makes it clear that the soft-packed symmetrical sodium ion batteries based on Na_(3)V_(2)(PO_(4))_(3)/C have a prospect of practical application in high safety requirement fields. 展开更多
关键词 Na_(3)V_(2)(PO_(4))_(3)/C Sodium-ion batteries Symmetrical battery Accelerating rate calorimetry Battery thermal safety
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Effects of cooling rate on the microstructure and electrical properties of Dy_2O_3-doped ZnO-based varistor ceramics 被引量:4
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作者 LIU Hongyu KONG Hui +3 位作者 JIANG Dongmei SHI Wangzhou MA Xueming ZHANG Huining 《Rare Metals》 SCIE EI CAS CSCD 2007年第1期39-44,共6页
The microstructure, electrical properties, and density of Dy2O3-doped ZnO-based varistor ceramics, prepared using high-energy ball milling (HEBM) and sintered at 800℃, were investigated by increasing the cooling ra... The microstructure, electrical properties, and density of Dy2O3-doped ZnO-based varistor ceramics, prepared using high-energy ball milling (HEBM) and sintered at 800℃, were investigated by increasing the cooling rate in the order of H (slow cooling in furnace) → L (cooling in furnace) → K (cooling in air). With the increase in cooling rate, the grain size and density decreased, the breakdown voltage (VImA/mm) increased, and the nonlinear coefficient (α) and leakage current (IL) exhibited extremum. The sample with the cooling type L showed the best properties with the breakdown voltage of 2650 V/ram, o:of 20.3, IL of 5.2 laA, and density of 5.42 g/cm^3. The barrier height (ФB), donor concentration (Nd), density of the interface states (Nd), and barrier width (ω) all exhibited extremum during the alteration in cooling rate. The different relative amount of Bi-rich phase and its distribution as well as the characteristic parameters of grain boundary, resulting from the alteration of cooling rate, led to the changes in the properties of varistor ceramics. 展开更多
关键词 VARISTOR ZNO Dy2O3 MICROSTRUCTURE electrical properties high-energy ball milling low-temperature sintering
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Oxidative dehydrogenation of propane over Ni-Mo-Mg-O catalysts 被引量:5
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作者 Lin Wang Wei Chu +3 位作者 Chengfa Jiang Yuefeng Liu Jie Wen Zaiku Xie 《Journal of Natural Gas Chemistry》 EI CAS CSCD 2012年第1期43-48,共6页
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 red... 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. 展开更多
关键词 nickel oxide molybdenum oxide mole ratio oxidative dehydrogenation of propane PROPENE
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Focus on the Chinese revolution of catalysis based on catalytic solutions for the vital demands of society and economy 被引量:3
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作者 Yangdong Wang Jing Shi +1 位作者 Zhonghao Jin Zaiku Xie 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2018年第7期1147-1156,共10页
Catalysis is one of the most cross-cutting technologies in the chemical industry, intensely influenc-ing our daily society. Its practical application is closely related to the engineering disciplines. At present, the ... Catalysis is one of the most cross-cutting technologies in the chemical industry, intensely influenc-ing our daily society. Its practical application is closely related to the engineering disciplines. At present, the academic and industrial research on catalysis in our country has made great break-throughs in fields like hydrocarbon production, oil-quality upgrading processes, green chemical engineering, and other energy and chemical users of catalysis. In this paper, we attempt to summa-rize the industrial catalysis achievements and present a discussion on the direction and the devel-opment strategy for catalysis, based on economic and social demands. 展开更多
关键词 CATALYSIS INDUSTRIALIZATION Hydrocarbon production Green technology Catalytic development
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Role of copper grid mesh in the catalytic oxidation of CO over one-step synthesized Cu-Fe-Co ternary oxides thin film 被引量:3
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作者 Muhammad Waqas Patrick Mountapmbeme Kouotou +2 位作者 Achraf El Kasmi Yu Wang Zhen-Yu Tian 《Chinese Chemical Letters》 SCIE CAS CSCD 2020年第5期1201-1206,共6页
The effective valuation of catalyst supports in the catalytic oxidation makes the contribution to understand the support effect of great interest.Here,the role of active substrate in the performance and stability of C... The effective valuation of catalyst supports in the catalytic oxidation makes the contribution to understand the support effect of great interest.Here,the role of active substrate in the performance and stability of CuFe-Co ternary oxides was studied towards the complete catalytic oxidation of CO.The Cu-Fe-Co oxide thin films were deposited on copper grid mesh(CUGM)using one-step pulsed-spray evaporation chemical vapor deposition method.Crystalline structure and morphology analyses revealed nano-crystallite sizes and do me-top-like morphology.Synergistic effects between Cu,Fe and Co,which affect the surface Cu^2+,Fe^3+,Co^3+and chemisorbed oxygen species(O2 and OH)of thin films over the active support and thus result in better reducibility.The thin film catalysts supported on CUGM exhibited attractive catalytic activity compared to the te rnary oxides supported on ine rt grid mesh at a high gas hourly space velocity.Moreove r,the stability in time-on-stream of the ternary oxides on CUGM was evaluated in the CO oxidation for 30 h.The ad opted deposition strategy ofternary oxides on CUGM presents an excessive amount of adsorbed active oxygen species that play an impo rtant role in the complete CO oxidation.The catalysts supported on CUGM showed better catalytic conve rsion than that on inert grid mesh and some literature-reported noble metal oxides as well as transition metal oxides counterparts,revealing the beneficial effect of the CUGM suppo rt in the improvement of the catalytic performance. 展开更多
关键词 Cu-Fe-Co ternary oxides PSE-CVD technique Support effect Time-on-stream Copper grid mesh
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Elucidating the dominant reaction mechanism of methanol-to-olefins conversion in H-SAPO-18: A first-principles study 被引量:2
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作者 Chuan-Ming Wang Yang-Dong Wang Zai-Ku Xie 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2018年第7期1272-1279,共8页
The reaction mechanism of zeolite- or zeotype-catalyzed methanol-to-olefins(MTO) conversion is still a subject of debate. Employing periodic density functional theory calculations, the olefin-based cycle was studied... The reaction mechanism of zeolite- or zeotype-catalyzed methanol-to-olefins(MTO) conversion is still a subject of debate. Employing periodic density functional theory calculations, the olefin-based cycle was studied using tetramethylethene(TME) as a representative olefinic hydrocarbon pool in H-SAPO-18 zeotype. The overall free energy barrier at 673 K was calculated and found to be less than 150 kJ/mol in the TME-based cycle, much lower than those in the aromatic-based cycle(〉 200 kJ/mol), indicating that olefins themselves are the dominant active hydrocarbon pool species in H-SAPO-18. The similarity of the intermediates involved between the aromatic-based cycle and the olefin-based cycle was also highlighted, revealing that both cycles were pattern-consistent. The selectivity related to the distribution of cracking precursors, such as higher olefins or carbenium ions, as a result of the olefin-based cycle for the MTO conversion. The enthalpy barrier of the crack-ing step scaled linearly with the number of carbon atoms of cracking precursors to produce ethene or propene with ethene being much less favored than propene for cracking of C7 and higher pre-cursors. This work highlighted the importance of the olefin-based cycle in H-SAPO-18 for the MTO conversion and established the similarity between the olefin-based and aromatic-based cycles. 展开更多
关键词 Methanol-to-olefins conversion Hydrocarbon pool reaction mechanism Olefin-based hydrocarbon pool Density functional theory H-SAPO-18 zeotype
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Shape-selective alkylation of benzene with ethylene over a core–shell ZSM-5@MCM-41 composite material 被引量:2
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作者 Zhenhao Shen Chongwei Ma +4 位作者 Darui Wang Junlin He Hongmin Sun Zhirong Zhu Weimin Yang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2021年第9期64-71,共8页
A series of ZSM-5@MCM-41 core-shell composite materials prepared via a multi-cycle-sol-gel coating strategy is investigated as the catalyst for benzene alkylation with ethylene,in which both ethylbenzene and para-diet... A series of ZSM-5@MCM-41 core-shell composite materials prepared via a multi-cycle-sol-gel coating strategy is investigated as the catalyst for benzene alkylation with ethylene,in which both ethylbenzene and para-diethylbenzene(p-DEB)are aimed as the target products.With multi-cycle-sol-gel coating,the external acid sites on the samples are gradually passivated by the inert MCM-41 shell.As a result,the shape selectivity to p-DEB is greatly enhanced.Nevertheless,the coating of mesoporous MCM-41 shell on ZSM-5 accelerates deactivation of the catalyst only due to the dilution effect of ZSM-5 content in the catalyst at the same space velocity,which is a reason that core-shell ZSM-5@MCM-41 will potentially be a practical catalyst in shape selective alkylation of benzene.In order to enhance the yield of p-DEB on ZSM-5@MCM-41,the reaction conditions at the fixed bed reactor including temperature,the molar rate of benzene to ethylene and GHSV,are also optimized. 展开更多
关键词 Core-shell ZSM-5@MCM-41 Coating ETHYLBENZENE Para-diethylbenzene Shape selectivity DEACTIVATION
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Synthesis of ZSM-5/MOR Co-crystalline Zeolite without Template and the Catalytic Application Thereof 被引量:2
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作者 Zhang Huiming Ma Guangwei 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2009年第1期51-57,共7页
A ZSM-5/MOR co-crystalline zeolite was synthesized without using the template. The physico-chemical properties of the zeolite were characterized by XRD, FT-IR, SEM and TPD and then compared with the co-crystalline zeo... A ZSM-5/MOR co-crystalline zeolite was synthesized without using the template. The physico-chemical properties of the zeolite were characterized by XRD, FT-IR, SEM and TPD and then compared with the co-crystalline zeolite synthesized with a template. Analytical results indicated that they were similar in structure and composition. The influences ofpH value and Si/Al ratio on synthesis were studied. It was found that a high pH value or a low Si/AI ratio could provide better environment for mordenite (MOR) crystallization. The zeolites applied as catalysts in naphtha catalytic cracking for producing ethylene and propylene showed outstanding catalytic performance with the total yield of ethylene and propylene reaching 55 m%. The process could achieve most favorable efficiency when the catalyst contained 5 m% of MOR. 展开更多
关键词 ZSM-5 MORDENITE co-crystalline catalytic cracking ethylene PROPYLENE
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Preparation and Performance of Short Carbon Fiber and Flake Graphene Reinforced Polycarbonate Composites: Effects of Different Tougheners 被引量:4
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作者 Zhixing Yu Yu Bai +2 位作者 Yingcheng Li Wei Wang James H. Wang 《Journal of Materials Science and Chemical Engineering》 2018年第7期81-89,共9页
Different tougheners including methyl methacrylate-butadiene-styrene terpolymer (MBS, core-shell type), maleic anhydride (MAH) grafted ethylene-octene copolymer (EOM), and MAH grafted polyethylene wax (PEM) were inves... Different tougheners including methyl methacrylate-butadiene-styrene terpolymer (MBS, core-shell type), maleic anhydride (MAH) grafted ethylene-octene copolymer (EOM), and MAH grafted polyethylene wax (PEM) were investigated for toughening the polycarbonate (PC) composites reinforced by short carbon fiber (SCF) and flake graphene (FG). The effects of tougheners on the preparation, thermal conductivity and mechanical properties of PC composites were studied. Scanning electron microscopy was used for characterizing the impact fracture surfaces of the composites. The results showed that introducing tougheners into the carbon reinforced PC composites was beneficial to improving the processability, and PEM was more effective than EOM and MBS. Meanwhile, the through-thickness and the in-plan thermal conductivity decreased to some degree due to the isolated island effects of tougheners. Moreover, the brittle PC composites with high flexural stress could be easily toughened by tougheners. In contrast, PEM had better toughening function than EOM and MBS, and correspondingly, the stiffness of the composites was the lowest for the PEM toughened systems. The fractography revealed that dense and uniformly distributed carbon fillers dispersed in matrix PC and circular cavities coexisted in the composites. The naked fiber length gradually increased as the ductility of composite materials improved. 展开更多
关键词 Toughener PROCESSABILITY Thermal CONDUCTIVITY Mechanical PROPERTY FRACTOGRAPHY
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Towards suppressing dielectric loss of GO/PVDF nanocomposites with TA-Fe coordination complexes as an interface layer 被引量:2
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作者 Ying Gong Wenying Zhou +6 位作者 Zijun Wang Li Xu Yujia Kou Huiwu Cai Xiangrong Liu Qingguo Chen Zhi-Min Dang 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2018年第12期2415-2423,共9页
In this work, graphene oxide(GO) nanosheets with surface modification by Tannic and Fe coordination complexes(TA-Fe) were incorporated into poly(vinylidene fluoride)(PVDF) to prepare high constant but low loss polymer... In this work, graphene oxide(GO) nanosheets with surface modification by Tannic and Fe coordination complexes(TA-Fe) were incorporated into poly(vinylidene fluoride)(PVDF) to prepare high constant but low loss polymer nanocomposites, and the effect of TA-Fe interlayer on dielectric properties of the GO@TA-Fe/PVDF nanocomposites was investigated. The results indicate that the dosage, mixing ratio, and reaction time of TA-Fe complexes have obvious influences on the dielectric properties of the nanocomposites. Furthermore, the TA-Fe interlayer significantly influences the electrical properties of GO@TA-Fe nanoparticles and their PVDF composites, and the GO@TA-Fe/PVDF composites exhibit superior dielectric properties compared with raw GO/PVDF. Dielectric losses of the GO@TA-Fe/PVDF are significantly suppressed to a rather low level owing to the presence of TA-Fe layer, which serves as an interlayer between the GO sheets, thus preventing them from direct contacting with each other. Additionally, the dynamic dielectric relaxation of the GO/PVDF and GO@TA-Fe/PVDF nanocomposites was investigated in terms of temperature. 展开更多
关键词 Dielectric properties Polymer nanocomposites Interface layer RELAXATION
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Design and optimization of an integrated process for the purification of propylene oxide and the separation of propylene glycol by-product 被引量:1
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作者 Song Hu Jinlong Li +1 位作者 Qihua Wang Weisheng Yang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2022年第5期111-120,共10页
It is difficult to separate the methanol and hydrocarbons in the propylene oxide(PO)purification process due to their forming azeotrope.As for this,a novel PO separation process,in that the deionized water is employed... It is difficult to separate the methanol and hydrocarbons in the propylene oxide(PO)purification process due to their forming azeotrope.As for this,a novel PO separation process,in that the deionized water is employed as extractant and 1,2-propylene glycol(MPG)that is formed from the PO hydrolysis reaction is recovered,is presented in this work.The salient feature of this process is that both the non-catalyzed reactions of PO hydrolysis to form MPG and dipropylene glycol(DPG)are simultaneously considered and MPG by-product with high purity is obtained in virtue of the deionized water as reflux liquid and side take-off in MPG column.In addition,the ionic liquid(IL)extractant is screened through the conductorlike screening model for segment activity coefficient(COSMO-SAC)and the comparisons of separation efficiency between the IL and normal octane(nC_(8))extractant for the separation of PO and 2-methylpentane are made.With the non-random two-liquid(NRTL)thermodynamic model,the simulation and optimization design for the full flow sheet are performed and the effects of the key operation parameters such as solvent ratio,theoretical stages,feeding stage etc.on separation efficiency are detailedly discussed.The results show that the mass purity and the mass yield of PO can be up to 99.99%and 99.0%,and the condenser duty,reboiler duty and PO loss in the process with IL extractant can be decreased by 69.66%,30.21%and 78.86%compared to ones with nC_(8).The total annual cost(TAC)calculation also suggests that the TAC would be significantly reduced if using IL in replace of nC_(8) for the investigated process.The presented results would provide a useful guide for improving the quality of PO product and the economic efficiency of industrial plant. 展开更多
关键词 Propylene oxide purification Ionic liquids SEPARATION Extractive distillation HYDROLYSIS 1 2-propylene glycol
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Synthesis and Characterization of Mesoporous Materials MCM-41 Incorporated by Yttrium, Neodymium and Samarium 被引量:1
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作者 Shi Lei Ge Xuegui +2 位作者 Huang Shaoyun Wei Jianxin Ma Guangwei 《Journal of Rare Earths》 SCIE EI CAS CSCD 2005年第4期436-436,共1页
Using cetyl-trimethyl-ammonium bromide (CTMAB) as template and tetraethylortho-silicate (TEOS) as silica source, the MCM-41 mesoporous materials incorporated in framework by Y, Nd and Sm were synthesized by hydrot... Using cetyl-trimethyl-ammonium bromide (CTMAB) as template and tetraethylortho-silicate (TEOS) as silica source, the MCM-41 mesoporous materials incorporated in framework by Y, Nd and Sm were synthesized by hydrothermal synthesis method. The structure, morphology of materials and the state of Y, Nd, Sm in materials were investigated by means of XRD, nitrogen adsorption-desorption, SEM, IR spectrometry, TG-DTA. The XRD results indicate that the samples possess the mesoporous MCM-41 structures with ordered hexagonal arrangements. Y, Nd and Sm ions can get into the framework of mesoporous materials. Nitrogen adsorption desorption isotherms show that the samples have typical mesopores characteristics. SEM micrographs reveal that incorporated sampies show a spherical morphology and the diameters are averagely 0. l0 to 0.15 μm. In IR spectrum of samples, there are the feature adsorption peaks about Si-O-Ln(Ln=Y, Sm, Nd)at 960-985 cm^-1, which affirm that Y, Nd, Sm ions locate in the framework of several mesoporous materials. Results from TG-DTA analysis suggest that two different template sorption sites exist in the framework of YMCM-41, SmMCM-41, NdMCM-41, which powerfully proves that the presence of Y, Nd and Sm in Si framework of the materials. 展开更多
关键词 MCM-41 mesoporous materials INCORPORATE TEMPLATE synthesis characterization rare earths
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Full life cycle characterization strategies for spatiotemporal evolution of heterogeneous catalysts 被引量:1
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作者 Renyang Zheng Zaiku Xie 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2021年第12期2141-2148,共8页
The sustainable development of the chemical industry requires novel and efficient catalysts and catalytic processes,especially eco-friendly and intrinsically safe processes.The idea is to improve the selectivity,activ... The sustainable development of the chemical industry requires novel and efficient catalysts and catalytic processes,especially eco-friendly and intrinsically safe processes.The idea is to improve the selectivity,activity,and stability of the catalyst in an appropriate reactor.Therefore,it is of great academic and industrial significance to conduct in-situ characterization of a working catalyst while testing its catalytic performance.This is beneficial for a comprehensive study on the dynamic evolution of the catalyst structure under real conditions,deepening the understanding of the structure-performance relationship of catalysts,and providing a scientific basis for the development of future generation catalytic technology.Thus far,it is still a great challenge to realize full life cycle characterization of heterogeneous catalysts from catalyst formation and function to deactivation under real world conditions.In this mini review,we summarize the characterization strategies for heterogeneous catalysts,using zeolite,metal,and metal oxide catalysts as typical examples.The research strategies for the approximation of industrial conditions,multi-scale in-situ characterization devices,and computational modeling of realistic conditions should provide insight for the research and development of industrial catalysis. 展开更多
关键词 Heterogeneous catalysis In-situ characterization Methanol-to-olefins Fischer-Tropsch synthesis Propane dehydrogenation
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