Sieving of H2 and D2 Through End-to-End Nanotubes
Sieving of H2 and D2 Through End-to-End Nanotubes
复制标题
通过端到端纳米管筛选 H2 和 D2
DOI：
10.1088/0253-6102/62/4/11
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发表时间：
2014
期刊：
影响因子：
--
通讯作者：
S. Bernardi
中科院分区：
文献类型：
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作者：
Devagnik Dasgupta;D. Searles;L. Rondoni;S. Bernardi
我们研究了H2和D2通过两个首尾相连的纳米管的量子分子筛。分析处理，假设粒子有经典的运动沿着轴的纳米管和被限制在一个势阱在径向方向上，被认为是。使用这种理想模型，在一定条件下，发现这种装置可以作为一个完整的筛子，允许从同位素混合物中分离出化学纯氘。我们还考虑了两个碳纳米管的更现实的模型，并使用Feynman-Hibbs势进行分子动力学模拟，以模拟量子效应对H2和D2动力学的影响。在这种情况下也观察到筛分，但由不同的过程引起。
We study the quantum molecular sieving of H2 and D2 through two nanotubes placed end-to-end. An analytic treatment, assuming that the particles have classical motion along the axis of the nanotube and are confined in a potential well in the radial direction, is considered. Using this idealistic model, and under certain conditions, it is found that this device can act as a complete sieve, allowing chemically pure deuterium to be isolated from an isotope mixture. We also consider a more realistic model of two carbon nanotubes and carry out molecular dynamics simulations using a Feynman—Hibbs potential to model the quantum effects on the dynamics of H2 and D2. Sieving is also observed in this case, but is caused by a different process.