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Density functional theory (DFT) has been used to investigate the reaction pathways with steam reforming of glycerol under cold plasma conditions. Total energies, energy barriers, and reaction enthalpies at 298.15 K have been calculated at the GGA/PW91/DNP level. The calculation shows that, with the presence of steam, the energy barrier of glycerol conversion is reduced and the conversion from glycerol to H2 and CO is promoted under cold plasma conditions. The formation of syngas was through a multi-step pathway via the conversion of OHCH2CHOH, CH2OH, CH2O, HCO,·and CH3, while the recombination of H generated extra H2. The synthesis of hydrocarbons are from the recombination of·CH3,·CH2, and·CH, which could be primarily generated through glycerol dissociation. The structure of glycerol anion was also studied in this work, and it was less stable than the neutral molecule. The route for the formation of OHCH2CHOH·and CH2OH·from glycerol anion is thermodynamically favorable. 相似文献
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Yuchen Gao Jianguo Jiang Yuan Meng Tongyao Ju Siyu Han 《Frontiers of Environmental Science & Engineering》2023,17(3):32
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ZrO2-Al2O3 composite oxides and supported Ni catalysts were prepared, and characterized by N2 adsorption/desorption, X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) techniques. The catalytic performance and carbon deposition was also investigated. This mesoporous composite oxide is shown to be a promising catalyst support. An increase in the catalytic activity and stability of methane and carbon dioxide reforming reaction was resulted from the zirconia addition, especially at 5wt% ZrO2 content. The Ni catalyst supported ZrO2-Al2O3 has a strong resistance to sintering and the carbon deposition in a relatively long-term reaction. 相似文献
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《International Journal of Green Energy》2013,10(3):313-325
Abstract This article summarizes the results of a study for a 100 kWe DC electrical power PEM fuel cell system. The system consists of a pre-steam reformer, a steam reformer, high and low temperature shift reactors, a preferential oxidation reactor, a PEM fuel cell, a combustor, and an expander. Acceptable net electrical efficiency levels can be achieved via intensive heat integration within the PEM fuel cell system. The calculations take into account the auxiliary equipment such as pumps, com pressors, heaters, coolers, heat exchangers and pipes. The process simulation package “Aspen-HYSYS 3.1’’ has been used. The operation parameters of the reactors have been determined considering all the technical limitations involved. A gasoline type hydrocarbon fuel has been studied as hydrogen rich gas source. Thermal efficiencies have been calculated for all of the major system components for selected operation conditions. The fuel cell stack efficiency has been calculated as a function of cell numbers (500, 750, 1000, and 1250 cells). Efficiencies of all of the major system components along with auxiliary unit efficiencies determine the net electrical efficiency of the PEM fuel cell system. The obtained net electrical efficiency levels are between 34 (500 cells) to 41% (1250 cells). 相似文献
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石化企业污水生化处理改造措施分析 总被引:1,自引:0,他引:1
随着各炼油厂加工深度和加工能力的日益提高,排放的污水水量不断增加,水质不断恶化,原有的“老三套”中的曝气装置已无法满足生产需要。为此,不少炼油厂都针对各自的具体情况,对生化系统进行了技术改造,主要措施有:淘汰现有表曝池,改造现有表曝池,向表曝池中投加多孔物质或硝化反应与反硝化菌,增建生化预处理设施及将一级生化处理改为二级生化处理等。 相似文献