Grand canonical Monte Carlo simulation for hydrogen uptakes based on nanoporous NaBH4

来源 :中国科学：物理学、力学、天文学英文版 | 被引量 : 0次 | 上传用户：liongliong449

【摘要】

：

移开特殊原子产生的 3D nanoporous 钠 borohydride (NPSB ) 的一条新氢存储线路在这个工作被建议。 NPSB-1 的三个不同尺寸毛孔( 7 ?)， NPSB-2 ( 10 ?)并且 NPSB-3 ( 14 ?)被

【作者】

：

REN Juan ZHANG Hong TANG YongJ

【机构】

：

CollegeofPhysicalScienceandTechnology,ResearchCenterofLaserFusion

【出处】

：

中国科学：物理学、力学、天文学英文版

【发表日期】

：

2013年8期

【关键词】

：

蒙特卡罗模拟氢气压力硼氢化钠多孔累积温度范围压力范围储氢能力 nanoporous hydrogen storage GCMC NaBH4

【基金项目】

：

This work was supported by the National Natural Science Foundation of China （Grant Nos. 11074176 and 10976019） and the Research Fund for the Doctoral Program of Higher Education of China （Grant No. 20

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论文部分内容阅读

移开特殊原子产生的 3D nanoporous 钠 borohydride (NPSB ) 的一条新氢存储线路在这个工作被建议。 NPSB-1 的三个不同尺寸毛孔( 7 ?)， NPSB-2 ( 10 ?)并且 NPSB-3 ( 14 ?)被介绍，并且这些 NPSB 的氢存储能力被采用宏大正规蒙特卡罗( GCMC )模仿为 77298 K 的一个温度范围和 0.1100 酒吧的一个压力范围的过程。氢吸附上的毛孔直径，温度和压力的效果被检验了。结果证明氢的吸附与分别地增加温度和氢压力减少并且增加。在更高的

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Grand canonical Monte Carlo simulation for hydrogen uptakes based on nanoporous NaBH4

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