| 球钯材料填充柱中氢-氘交换的计算机模拟 |
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| 引用本文： | 曾景晖,宋江峰,杨远友,侯氢,罗德礼,廖家莉,杨吉军,唐军,刘宁,王东琪. 球钯材料填充柱中氢-氘交换的计算机模拟[J]. 无机化学学报, 2013, 29(8): 1626-1632 |
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| 作者姓名： | 曾景晖 宋江峰 杨远友 侯氢 罗德礼 廖家莉 杨吉军 唐军 刘宁 王东琪 |
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| 作者单位： | 四川大学原子核科学技术研究所, 辐射物理及技术教育部重点实验室, 成都 610064;中国科学院高能物理研究所多学科中心, 北京 100049;中国工程物理研究院, 绵阳 621900;四川大学原子核科学技术研究所, 辐射物理及技术教育部重点实验室, 成都 610064;四川大学原子核科学技术研究所, 辐射物理及技术教育部重点实验室, 成都 610064;中国工程物理研究院, 绵阳 621900;四川大学原子核科学技术研究所, 辐射物理及技术教育部重点实验室, 成都 610064;四川大学原子核科学技术研究所, 辐射物理及技术教育部重点实验室, 成都 610064;四川大学原子核科学技术研究所, 辐射物理及技术教育部重点实验室, 成都 610064;四川大学原子核科学技术研究所, 辐射物理及技术教育部重点实验室, 成都 610064;中国科学院高能物理研究所多学科中心, 北京 100049 |
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| 基金项目： | 国际磁约束聚变能计划专项(No.2010GB112001);国家基础科学人才培养基金·特殊学科点 (No.J1210004)资助项目。 |
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| 摘 要： | 本文结合球体颗粒交换模型(SPEM)与气-固表面交换模型设计了氢-氘交换反应模型,采用FORTRAN语言进行计算机编程模拟,研究了钯材料粒径、分离柱长度、填料密度、气体流速和温度等因素对氢氘交换反应的影响。结果表明:通过降低气体流速,增大金属材料目数、填料密度、交换柱长,以及升高温度,可以提高交换速率;而在满足一维速率方程的条件下,柱径的大小不影响交换反应过程。
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| 关 键 词： | 钯 氢-氘交换 模拟 FORTRAN |
| 收稿时间： | 2013-01-21 |
| 修稿时间： | 2013-05-28 |
Simulation of Hydrogen-Deuterium Exchange Behavior in the Sphere Pd-Filled Column |
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| ZENG Jing-Hui,SONG Jiang-Feng,YANG Yuan-You,HOU Qin,LUO De-Li,LIAO Jia-Li,YANG Ji-Jun,TANG Jun,LIU Ning and WANG Dong-Qi. Simulation of Hydrogen-Deuterium Exchange Behavior in the Sphere Pd-Filled Column[J]. Chinese Journal of Inorganic Chemistry, 2013, 29(8): 1626-1632 |
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| Authors: | ZENG Jing-Hui SONG Jiang-Feng YANG Yuan-You HOU Qin LUO De-Li LIAO Jia-Li YANG Ji-Jun TANG Jun LIU Ning WANG Dong-Qi |
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| Affiliation: | Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;Multidisciplinary Initiative Center, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China;China Academy of Engineering Physics, Mianyang, Sichuan 621900, China;Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;China Academy of Engineering Physics, Mianyang, Sichuan 621900, China;Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;Multidisciplinary Initiative Center, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China |
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| Abstract: | A hydrogen-deuterium exchange reaction model was constructed by combining the Sphere Particle Exchange Model (SPEM) and the Gas-Solid Surface Exchange Model, and programmed in terms of numerical algorithm using FORTRAN language to simulate the H-D exchange reaction in a column filled with palladium (Pd) particles. This model was then used to study the influence of the properties of Pd material, including its size and density in the column, the length of the column, the velocity of the gas flow and temperature, etc., on the exchange reaction. The calculation show that low flow velocity, high density and small size of Pd particles, longer column and higher temperature may accelerate the exchange reaction of D by H, while the diameter of column has no effect when the diffusion model used here holds. |
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| Keywords: | palladium hydrogen-deuterium exchange simulate FORTRAN |
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