Stevens Kyle, Thamwattana Ngamta, Tran-Duc Thien
School of Information and Physical Sciences, University of Newcastle, Callaghan, New South Wales 2308, Australia.
ACS Omega. 2022 Aug 18;7(34):29773-29786. doi: 10.1021/acsomega.2c02485. eCollection 2022 Aug 30.
Methane capture and storage are of particular importance for the development of new technology to reduce the effects of climate change and global warming. Carbon-based nanomaterials are among several porous nanomaterials proposed as potential candidates for methane storage. In this paper, we adopt a new continuum approach with functional Lennard-Jones parameters to provide interaction energies for methane inside carbon nanostructures, namely fullerenes, nanotube bundles, and nanocones. This study provides a significant improvement to previous continuum modeling approaches using the Lennard-Jones potential.
甲烷捕获与存储对于开发新技术以减轻气候变化和全球变暖的影响尤为重要。碳基纳米材料是被提议作为甲烷存储潜在候选材料的几种多孔纳米材料之一。在本文中，我们采用一种具有函数化伦纳德 - 琼斯参数的新连续介质方法，来提供碳纳米结构（即富勒烯、纳米管束和纳米锥）内部甲烷的相互作用能。这项研究对先前使用伦纳德 - 琼斯势的连续介质建模方法有显著改进。
