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	用密度泛函理论研究氚在高温气冷堆核级石墨的吸附与解吸附行为
	张建 ; 房超 ; ZHANG Jian ; FANG Chao
	2016-03-30 ; 2016-03-30
关键词	氚 石墨 吸附 解吸附 密度泛函理论 TL342
其他题名	Microscopic Study of Adsorption and Desorption Behavior of Tritium on Nuclear Graphite in HTGR by Density Functional Theory
中文摘要	为研究氚在高温气冷堆核级石墨上的吸附和解吸附行为,本文利用密度泛函理论,采用氢原子代替氚原子的办法,通过理论计算得到了氚在高温气冷堆核级石墨上的结合能,通过模型分析得到了氚在高温气冷堆核级石墨上的吸附、解吸附机理与相应的份额,并得到HTR-10在20年寿期末各部分氚的累积量及事故工况下氚释放量的估计值。本文结果为研究估算高温气冷堆氚释放的机理提供了一条新思路。; In order to study behaviors of adsorption and desorption of tritium on HTGR's nuclear graphite,density functional theory(DFT)was used in this work.With the demonstration of equivalent characteristics of hydrogen and tritium in the sense of electronic structure,through theoretical calculations,the binding energy of tritium on the nuclear graphite was obtained.By analyzing the model,the adsorption and desorption mechanism and fraction of tritium on the nuclear graphite were clarified,and the cumulative amount of tritium at the end of the HTR-10 two decades' life and the value of released tritium on accident condition were given.The results in this paper are useful to raise a new thinking to understand release mechanism of tritium in HTGR.
语种	中文 ; 中文
内容类型	期刊论文
源URL	[http://ir.lib.tsinghua.edu.cn/ir/item.do?handle=123456789/143949]
专题	清华大学
推荐引用方式 GB/T 7714	张建,房超,ZHANG Jian,等. 用密度泛函理论研究氚在高温气冷堆核级石墨的吸附与解吸附行为[J],2016, 2016.
APA	张建,房超,ZHANG Jian,&FANG Chao.(2016).用密度泛函理论研究氚在高温气冷堆核级石墨的吸附与解吸附行为..
MLA	张建,et al."用密度泛函理论研究氚在高温气冷堆核级石墨的吸附与解吸附行为".(2016).

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