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介孔碳作为铂催化剂载体孔径的优化 被引量:2
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作者 刘建峰 宁锴 +1 位作者 丁昇 袁斌霞 《电池》 CAS CSCD 北大核心 2020年第4期326-328,共3页
利用Materials Studio软件建立孔径为2~8 nm的介孔碳模型,再将氧气分子分别附着在介孔碳和负载铂团簇的介孔碳表面,以优化介孔碳作为催化剂载体的性能,获得最佳孔径。使用DMol3模块对构建的模型进行结构优化,并计算各孔径介孔碳模型的... 利用Materials Studio软件建立孔径为2~8 nm的介孔碳模型,再将氧气分子分别附着在介孔碳和负载铂团簇的介孔碳表面,以优化介孔碳作为催化剂载体的性能,获得最佳孔径。使用DMol3模块对构建的模型进行结构优化,并计算各孔径介孔碳模型的吸附能;再优化结果,分析各自的带隙,比较电导率。基于模拟结果,发现介孔碳的最佳孔径为4 nm,负载铂的介孔碳的最佳孔径为6 nm。 展开更多
关键词 介孔碳模型 Pt团簇 分子模拟 最佳 燃料电池
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BISQ model based on a Kelvin-Voigt viscoelastic frame in a partially saturated porous medium 被引量:6
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作者 聂建新 巴晶 +3 位作者 杨顶辉 晏信飞 袁振宇 乔海鹏 《Applied Geophysics》 SCIE CSCD 2012年第2期213-222,236,共11页
Taking into account three important porous media mechanisms during wave propagation (the Biot-flow, squirt-flow, and solid-skeleton viscoelastic mechanisms), we introduce water saturation into the dynamic governing ... Taking into account three important porous media mechanisms during wave propagation (the Biot-flow, squirt-flow, and solid-skeleton viscoelastic mechanisms), we introduce water saturation into the dynamic governing equations of wave propagation by analyzing the effective medium theory and then providing a viscoelastic Biot/squirt (BISQ) model which can analyze the wave propagation problems in a partially viscous pore fluid saturated porous media. In this model, the effects of pore fluid distribution patterns on the effective bulk modulus at different frequencies are considered. Then we derive the wave dynamic equations in the time-space domain. The phase velocity and the attenuation coefficient equations of the viscoelatic BISQ model in the frequency-wavenumber domain are deduced through a set of plane harmonic solution assumptions. Finally, by means of numerical simulations, we investigate the effects of water saturation, permeability, and frequency on compressional wave velocity and attenuation. Based on tight sandstone and carbonate experimental observed data, the compressional wave velocities of partially saturated reservoir rocks are calculated. The compressional wave velocity in carbonate reservoirs is more sensitive to gas saturation than in sandstone reservoirs. 展开更多
关键词 BISQ model phase velocity attenuation coefficient VISCOELASTICITY water saturation CARBONATE tight sandstone
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