Journal article

The rational design of Li-doped nitrogen adsorbents for natural gas purification

Jialuo He, Seyed Hesam Mousavi, Guoliang Li, Zhikao Li, Abdol Hadi Mokarizadeh, Jin Shang, Eric F May, Gang Kevin Li



Separation of nitrogen (N2) and methane (CH4) is one of the most challenging and energy-intensive processes in the natural gas industry, due to their close physico-chemical properties. The quest for an effective N2-selective adsorbent has long been the focus of research; however, the results have been sparse. In this work, a first-principle study has been used to construct and investigate Li-doped polycyclic aromatic hydrocarbons (PAHs) for N2 rejection in natural gas purification. We doped lithium on a series of linear/nonlinear PAHs consisting of two to six benzene rings. The adsorption affinity of the Li-doped organic molecular systems toward N2 and CH4 was evaluated by calculating the in..

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University of Melbourne Researchers


Awarded by Technology Innovation Commission of Shenzhen Municipality

Awarded by Australia Research Council

Funding Acknowledgements

This work is sponsored by the Top-Notch Graduate Foundation of South China Normal University and Australia Research Council DP190101336. J. He thanks the South China Normal University and University of Western Australia for a scholarship during 2016-2017. J. Shang gratefully acknowledges the financial support from Technology Innovation Commission of Shenzhen Municipality (Ref: JCYJ20180307123906004).