Wang Lu, Li Feng, Wang Junru, Li Yixiang, Li Weifeng, Yang Yanmei, Zhao Mingwen, Qu Yuanyuan
School of Physics, Shandong University, Jinan, 250100, Shandong, China.
Phys Chem Chem Phys. 2020 May 7;22(17):9789-9795. doi: 10.1039/d0cp00154f. Epub 2020 Apr 27.
The rising demand for helium resources makes the effective separation of helium from natural gas increasingly important in the cryogenics industry and welding technology. However, most commonly used membranes cannot efficiently separate helium from the small molecules in natural gas. In this work, using first-principles calculations, combined with molecular dynamics simulations, we showed that efficient separation of helium from natural gas molecules (HO, CO, CO, CH, and N) as well as noble gas molecules (Ne and Ar) can be achieved in an inorganic graphenylene (IGP) membrane with high selectivities. In particular, molecular dynamics simulations demonstrated that high helium permeance (approximately 10 mol m s Pa) can be achieved over a wide range of temperatures (100 to 500 K) with high selectivity over other gas molecules. The high permeance and selectivity of the IGP monolayer membrane to helium are quite promising for industrial applications.
对氦资源不断增长的需求使得在低温工业和焊接技术中从天然气中有效分离氦变得越来越重要。然而，大多数常用的膜无法有效地从天然气中的小分子中分离出氦。在这项工作中，我们通过第一性原理计算，并结合分子动力学模拟表明，在具有高选择性的无机石墨炔（IGP）膜中，可以实现从天然气分子（HO、CO、CO、CH和N）以及稀有气体分子（Ne和Ar）中高效分离氦。特别是，分子动力学模拟表明，在很宽的温度范围（100至500 K）内，可以实现高氦渗透率（约10 mol m s Pa），并且对其他气体分子具有高选择性。IGP单层膜对氦的高渗透率和选择性在工业应用中颇具前景。
