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Impacts of methanol fuel on vehicular emissions: A review

《环境科学与工程前沿（英文）》 2022年第16卷第9期 doi: 10.1007/s11783-022-1553-4

摘要：

● Methanol effectively reduces CO, HC, CO₂, PM, and PN emissions of gasoline vehicles.

关键词： Methanol fuel Vehicular emission Emission reduction Cleaner fuel Gasoline substitute

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Confinement effects in methanol to olefins catalysed by zeolites: A computational review

German Sastre

《化学科学与工程前沿（英文）》 2016年第10卷第1期页码 76-89 doi: 10.1007/s11705-016-1557-3

摘要： Small pore zeolites, containing 8-rings as the largest, are widely employed as catalysts in the process of methanol-to-olefins (MTO). Reactants and products diffuse with constraints through 8-rings and this is one of the reaction bottlenecks related to zeolite micropore topology. Small pore zeolites and silicon-aluminophosphates(SAPOs) containing cavities, where olefins are mainly formed through the hydrocarbon pool (HP) mechanism, are frequently tested for MTO. Shape selectivity of transition states within the side-chain methylation will be reviewed as this is one of the controlling steps of the MTO process, with particular attention to the role of hexamethylbenzene (HMB) and heptamethylbenzenium cation (HeptaMB ), which are the most tipically detected reaction intermediates, common to the paring and side-chain routes within the HP mechanism. The relative stability of these and other species will be reviewed in terms of confinement effects in different cage-based zeolites. The role of the different alkylating agents, methanol, dimethyl ether (DME), and surface methoxy species (SMS) will also be reviewed from the computational viewpoint.

关键词： small pore zeolites SAPOs methanol-to-olefins hydrocarbon pool mechanism alkylation of polymethylbenzenes

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Hydrogen production from methanol through dielectric barrier discharge

Baowei WANG, Xu ZHANG, Haiying BAI, Yijun Lü, Shuanghui HU

《化学科学与工程前沿（英文）》 2011年第5卷第2期页码 209-214 doi: 10.1007/s11705-010-1018-3

摘要： The hydrogen fuel cell is a promising option as a future energy resource and the production of hydrogen is mainly depended on fossil fuels now. In this paper, methanol reforming to produce H through dielectric-barrier discharge (DBD) plasma reaction was studied. Effects of the power supply parameters, reactor parameters and process conditions on conversion of methanol and distribution of products were investigated. The best reaction conditions were following: input power (45 W), material of inner electrode (stainless steel), discharge gap (3.40 mm), length of reaction zone (90.00 mm), dielectric thickness (1.25 mm), and methanol content (37.65%). The highest conversion of methanol and the yield of H were 82.38% and 27.43%, respectively.

关键词： methanol dielectric-barrier discharge hydrogen plasma

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Experimental study on premixed combustion of spherically propagating methanol-air-nitrogen flames

Xiangang WANG, Zhiyuan ZHANG, Zuohua HUANG, Xibin WANG, Haiyan MIAO,

《能源前沿（英文）》 2010年第4卷第2期页码 223-233 doi: 10.1007/s11708-010-0016-y

摘要： The outward propagation and development of surface instability of the spark-ignited spherical premixed flames for methanol-air-nitrogen mixtures were experimentally studied by using a constant volume combustion chamber and a high-speed schlieren photography system. The laminar burning velocities, the mass burning fluxes, and the Markstein lengths were obtained at different equivalence ratios, dilution ratios, initial temperatures, and pressures. The laminar burning velocities and the mass burning fluxes give a similar curve versus the equivalence ratios. They increase with the increase of initial temperature and decrease with the increase of dilution ratio. The laminar burning velocity decreases with elevating the initial pressure, while the mass burning flux increases with the increase of the initial pressure. Markstein length decreases slightly with the increase of initial temperature for the rich mixtures. High initial pressure corresponds to low Markstein length. Markstein length increases with the increase of dilution ratio, which is more obvious when the mixture becomes leaner. Equivalence ratio has a slight impact on the development of the diffusive-thermal cellular structure at elevated initial pressures. The initial pressure has a significant influence on the occurrence of the flame front cellular structure. At the elevated pressures, the cracks on the flame surface branch and develop into the cell structure. These cells are bounded by cracks emitting a bright light, which may indicate soot formation. For very lean mixture combustion, the buoyancy effect and cooling effect from the spark electrodes have a significant impact on the flame propagation. The hydrodynamic instability, inhibited with the increase of initial temperature around the stoichiometric equivalence ratio, is enhanced with the increase of initial pressure and suppressed by mixture dilution.

关键词： methanol spherical flame propagation characteristics flame instabilities

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Mechanism of methanol decomposition on the Pd/WC(0001) surface unveiled by first-principles calculations

Jinhua Zhang, Yuanbin She

《化学科学与工程前沿（英文）》 2020年第14卷第6期页码 1052-1064 doi: 10.1007/s11705-019-1908-y

摘要： In this study, the decomposition of methanol into the CO and H species on the Pd/tungsten carbide (WC)(0001) surface is systematically investigated using periodic density functional theory (DFT) calculations. The possible reaction pathways and intermediates are determined. The results reveal that saturated molecules, i.e., methanol and formaldehyde, adsorb weakly on the Pd/WC(0001) surface. Both CO and H prefer three-fold sites, with adsorption energies of ‒1.51 and ‒2.67 eV, respectively. On the other hand, CH O stably binds at three-fold and bridge sites, with an adsorption energy of ‒2.58 eV. However, most of the other intermediates tend to adsorb to the surface with the carbon and oxygen atoms in their sp and hydroxyl-like configurations, respectively. Hence, the C atom of CH OH preferentially attaches to the top sites, CHOH and CH O adsorb at the bridge sites, while COH and CHO occupy the three-fold sites. The DFT calculations indicate that the rupture of the initial C–H bond promotes the decomposition of CH OH and CH OH, whereas in the case of CHOH, O–H bond scission is favored over the C–H bond rupture. Thus, the most probable methanol decomposition pathway on the Pd/WC(0001) surface is CH OH → CH OH → -CHOH → CHO → CO. The present study demonstrates that the synergistic effect of WC (as carrier) and Pd (as catalyst) alters the CH OH decomposition pathway and reduces the noble metal utilization.

关键词： density functional theory methanol direct methanol fuel cells WC(0001)-supported Pd monolayer decomposition mechanism

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Calculation and analysis of sub/supercritical methanol preheating tube for continuous production of biodieselvia supercritical methanol transesterification

Wen CHEN, Weiyong YING, Cunwen WANG, Weiguo WANG, Yuanxin WU, Junfeng ZHANG,

《能源前沿（英文）》 2009年第3卷第4期页码 423-431 doi: 10.1007/s11708-009-0075-0

摘要： Biodiesel is an important renewable energy. Supercritical methanol transesterification for biodiesel has recently been concerned because of its obvious advantages. The tubular reactor is an ideal reactor for continuous preparation of biodiesel via supercritical methanol transesterification. A methanol preheating tube is necessary for the tubular reaction system because the reaction temperature for supercritical methanol transesterification is usually 520―600K. Therefore, in the range of 298―600K, changes of the density, isobaric capacity, viscosity and thermal conductivity of sub/supercritical methanol with temperature are first discussed. Then on the basis of these thermophysical properties, an integration method is adopted for the design of sub/supercritical methanol preheating tube when methanol is preheated from 298K to 600K at 16MPa and the influencing factors on the length of the preheating tube are also studied. The computational results show that the Reynolds number and the local convection heat-transfer coefficient of sub/supercritical methanol flowing in ф6mm×1.5mm preheating tube change drastically with temperature. For the local overall heat transfer coefficient and the average overall heat transfer coefficient , temperature also has an important influence on them when the inlet velocity of methanol is lower than 0.5m/s. But when the inlet velocity of methanol is higher than 0.5m/s, and almost keep invariable with temperature. Additionally, both the outlet temperature and the inlet velocity of methanol are the key affecting factors for the length of the preheating tube, especially when the outlet temperature is over the critical temperature of methanol. At the same time, the increase of tin bath’s temperature can shorten the required length of the preheating tube. At the inlet flow rate of 0.5m/s, the required length of the preheating tube is 2.0m when methanol is preheated from 298K to 590K at 16MPa with keeping the tin bath’s temperature 620K, which is in good agreement with the experimental results.

关键词： sub/supercritical methanol preheating tube integration method biodiesel

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Kinetic study of the methanol to olefin process on a SAPO-34 catalyst

Mehdi SEDIGHI,Kamyar KEYVANLOO

《化学科学与工程前沿（英文）》 2014年第8卷第3期页码 306-311 doi: 10.1007/s11705-014-1440-z

摘要： In this paper, a new kinetic model for methanol to olefin process over SAPO-34 catalyst was developed using elementary step level. The kinetic model fits well to the experimental data obtained in a fixed bed reactor. Using this kinetic model, the effect of the most important operating conditions such as temperature, pressure and methanol space-time on the product distribution has been examined. It is shown that the temperature ranges between 400 °C and 450 °C is appropriate for propene production while the medium temperature (450 °C) is favorable for total olefin yield which is equal to 33%. Increasing the reactor pressure decreases the ethylene yield, while medium pressure is favorable for the propylene yield. The result shows that the ethylene and propylene and consequently the yield of total olefins increase to approximately 35% with decreasing the molar ratio of inlet water to methanol.

关键词： methanol to olefin SAPO-34 kinetic modeling elementary step

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Co-conversion of methanol and

Shumei Wei, Yarong Xu, Zhaoyang Jin, Xuedong Zhu

《化学科学与工程前沿（英文）》 2020年第14卷第5期页码 783-792 doi: 10.1007/s11705-019-1868-2

摘要： The conversion of -hexane and methanol into value-added aromatic compounds is a promising method for their industrially relevant utilization. In this study, intergrown ZSM-5/ZSM-11 crystals were synthesized and their resulting catalytic performance was investigated and compared to those of the isolated ZSM-5 and ZSM-11 zeolites. The physicochemical properties of ZSM-5/ZSM-11 intergrown zeolite were analyzed using X-ray diffraction, N isothermal adsorption-desorption, the temperature-programmed desorption of ammonium, scanning electron microscopy, Fourier transform infrared spectra of adsorbed pyridine, and nuclear magnetic resonance of Al , and compared with those of the ZSM-5 and ZSM-11 zeolites. The catalytic performances of the materials were evaluated during the co-feeding reaction of methanol and -hexane under the fixed bed conditions of 400°C, 0.5 MPa (N ), methanol꞉ -hexane= 7꞉3 (mass ratio), and weight hourly space velocity= 1 h (methanol). Compared to the ZSM-5 and ZSM-11 zeolites, the ZSM-5/ZSM-11 zeolite exhibited the largest specific surface area, a unique crystal structure, moderate acidity, and suitable Brønsted/Lewis acid ratio. The evaluation results showed that ZSM-5/ZSM-11 catalyst exhibited better catalytic reactivity than the ZSM-5 and ZSM-11 catalysts in terms of methanol conversion rate, -hexane conversion rate, and aromatic selectivity. The outstanding catalytic property of the intergrown ZSM-5/ZSM-11 was attributed to the enhanced diffusion associated with its unique crystal structure. The benefit of using zeolite intergrowth in the co-conversion of methanol and alkanes offers a novel route for future catalyst development.

关键词： ZSM-5/ZSM-11 methanol n-hexane cofeeding aromatics

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Design and analysis of dual fuel methanol-power poly-generation

Minghua WANG , Zheng LI , Weidou NI ,

《能源前沿（英文）》 2009年第3卷第3期页码 341-347 doi: 10.1007/s11708-009-0023-z

摘要： A dual fuel head poly-generation flowsheet was designed based on coal gas and coke oven gas. To help clearly understand the system performance, a 1.2×10−3.2×10kg methanol and 274―496MW power poly-generation system was simulated by using the commercially available software ASPEN Plus and GT Pro. The technology scheme, the operating parameters, and the efficiency of the system were also analyzed and evaluated, which will be used for building industrial devices.

关键词： dual fuel methanol-power poly-generation CO₂ and CH₄ reforming splitting ratio

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Sensitivity analysis of a methanol and power polygeneration system fueled with coke oven gas and coal

Guoqiang ZHANG, Lin GAO, Hongguang JIN, Rumou LIN, Sheng LI

《化学科学与工程前沿（英文）》 2010年第4卷第4期页码 491-497 doi: 10.1007/s11705-010-0511-z

摘要： The sensitivity analysis of a polygeneration energy system fueled with duo fuel of coke oven gas and coal gas is performed in the study, and the focus is put on the relations among syngas composition, conversation rate and performance. The impacts of the system configuration together with the fuel composition on the performance are investigated and discussed from the point of cascading utilization of fuel chemical energy. First, the main parameters affecting the performance are derived along with the analysis of the system configuration and the syngas composition. After the performance is being simulated by means of the Aspen Plus process simulator of version 11.1, the variation of the performance due to the composition of syngas and the conversion rate of chemical subsystem is obtained and discussed. It is obtained from the result that the proper conversion rate of the chemical subsystem according to the specific syngas composition results in better performance. And the syngas composition affects the optimal conversion rate of the chemical subsystem, the optimal point of which is around the stoichiometric composition for methanol production (CO/H = 0.5). In all, the polygeneration system fueled with coke oven gas and coal gas, which can realize the reasonable conversion of syngas to power and chemical product according to the syngas composition, is a promising method for coal energy conversion and utilization.

关键词： duo fuel of coke oven gas and coal gas polygeneration of power and methanol sensitivity analysis the relation among energy utilization syngas composition and chemical conversion rate

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An efficient technique for improving methanol yield using dual CO

Yang Su, Liping Lü, Weifeng Shen, Shun’an Wei

《化学科学与工程前沿（英文）》 2020年第14卷第4期页码 614-628 doi: 10.1007/s11705-019-1849-5

摘要： Abstract Steam methane reforming (SMR)-based methanol synthesis plants utilizing a single CO2 feed represent one of the predominant technologies for improving methanol yield and CO2 utilization. However, SMR alone cannot achieve full CO2 utilization, and a high water content accumulates if CO2 is only fed into the methanol reactor. In this study, a process integrating SMR with dry methane reforming to improve the conversion of both methane and CO2 is proposed. We also propose an innovative methanol production approach in which captured CO2 is introduced into both the SMR process and the recycle gas of the methanol synthesis loop. This dual CO2 feed approach aims to optimize the stoichiometric ratio of the reactants. Comparative evaluations are carried out from a techno-economic point of view, and the proposed process is demonstrated to be more efficient in terms of both methanol productivity and CO2 utilization than the existing stand-alone natural gas-based methanol process.

关键词： methanol synthesis CO₂ utilization dry methane reforming steam methane reforming process design

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Tailoring the simultaneous abatement of methanol and NO on Sb-Ce-Zr catalysts via copper modification

《环境科学与工程前沿（英文）》 2022年第16卷第10期 doi: 10.1007/s11684-022-1565-0

摘要：

● Cu addition enhances CH₃OH oxidation and alleviates its inhibitory effect on SCR.

关键词： Copper modification Sb-CeZr₂O_x catalyst NO_x Methanol Simultaneous removal

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Enhanced hydrogen production from aqueous methanol solution using TiO

Paramasivan GOMATHISANKAR,Tomoko NODA,Hideyuki KATSUMATA,Tohru SUZUKI,Satoshi KANECO

《化学科学与工程前沿（英文）》 2014年第8卷第2期页码 197-202 doi: 10.1007/s11705-014-1417-y

摘要： The photocatalytic hydrogen production from aqueous methanol solution using titanium dioxide (TiO ) was investigated in the addition of metal particles including copper, lead, tin, and zinc. The results show that only the addition of copper particles enhances the hydrogen production. The copper usage and reaction temperature were further optimized for TiO /Cu photocatalyts. Under the optimal conditions, the hydrogen production using TiO /Cu as photocatalysts is approximately 68 times higher than that obtained with only TiO .

关键词： photocatalytic hydrogen generation methanol copper particles TiO₂ metal-semiconductor interface

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Ignition delay of dual fuel engine operating with methanol ignited by pilot diesel

ZOU Hongbo, WANG Lijun, LIU Shenghua, LI Yu

《能源前沿（英文）》 2008年第2卷第3期页码 285-290 doi: 10.1007/s11708-008-0060-z

摘要： An investigation on the ignition delay of a dual fuel engine operating with methanol ignited by pilot diesel was conducted on a TY1100 direct-injection diesel engine equipped with an electronic controlled methanol low-pressure injection system. The experimental results show that the polytropic index of compression process of the dual fuel engine decreases linearly while the ignition delay increases with the increase in methanol mass fraction. Compared with the conventional diesel engine, the ignition delay increment of the dual fuel engine is about 1.5° at a methanol mass fraction of 62%, an engine speed of 1600 r/min, and full engine load. With the elevation of the intake charge temperature from 20°C to 40°C and then to 60°C, the ignition delay of the dual fuel engine decreases and is more obvious at high temperature. Moreover, with the increase in engine speed, the ignition delay of the dual fuel engine by time scale (ms) decreases clearly under all engine operating conditions. However, the ignition delay of the dual fuel engine increases remarkably by advancing the delivery timing of pilot diesel, especially at light engine loads.

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Synthesis of methanol and ethanol over CuZnAl slurry catalyst prepared by complete liquid-phase technology

Wei HUANG, Linmei YU, Wenhui LI, Zhili MA

《化学科学与工程前沿（英文）》 2010年第4卷第4期页码 472-475 doi: 10.1007/s11705-010-0525-6

摘要： A new method, named the complete liquid-phase technology, has been applied to prepare catalysts for methanol synthesis. Its main innovative thought lies in preparing slurry catalysts directly from raw solution. Activity tests indicate that the CuZnAl slurry catalyst prepared by the new method can efficiently catalyze conversion of syngas to ethanol in a slurry reactor, while CO conversion reaches 35.9% and ethanol selectivity is more than 20%, with a total alcohol selectivity of more than 87%. No deactivation was found during the 192 h reaction .

关键词： methanol slurry ethanol complete liquid-phase technology CuZnAl catalyst

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标题作者时间类型操作

Impacts of methanol fuel on vehicular emissions: A review

期刊论文

Confinement effects in methanol to olefins catalysed by zeolites: A computational review

German Sastre

期刊论文

Hydrogen production from methanol through dielectric barrier discharge

Baowei WANG, Xu ZHANG, Haiying BAI, Yijun Lü, Shuanghui HU

期刊论文

Experimental study on premixed combustion of spherically propagating methanol-air-nitrogen flames

Xiangang WANG, Zhiyuan ZHANG, Zuohua HUANG, Xibin WANG, Haiyan MIAO,

期刊论文

Mechanism of methanol decomposition on the Pd/WC(0001) surface unveiled by first-principles calculations

Jinhua Zhang, Yuanbin She

期刊论文

Calculation and analysis of sub/supercritical methanol preheating tube for continuous production of biodieselvia supercritical methanol transesterification

Wen CHEN, Weiyong YING, Cunwen WANG, Weiguo WANG, Yuanxin WU, Junfeng ZHANG,

期刊论文

Kinetic study of the methanol to olefin process on a SAPO-34 catalyst

Mehdi SEDIGHI,Kamyar KEYVANLOO

期刊论文

Co-conversion of methanol and

Shumei Wei, Yarong Xu, Zhaoyang Jin, Xuedong Zhu

期刊论文

Design and analysis of dual fuel methanol-power poly-generation

Minghua WANG , Zheng LI , Weidou NI ,

期刊论文

Sensitivity analysis of a methanol and power polygeneration system fueled with coke oven gas and coal