Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures
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2022
Authors
Stevens, K.
Thamwattana, N.
Tran-Duc, T.
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Journal article
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ACS Omega, 2022; 7(34):29773-29786
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Kyle Stevens, Ngamta Thamwattanan, Thien Tran-Duc
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Abstract
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.
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Copyright © 2022 The Authors. Published by American Chemical Society. This publication is licensed under CC-BY-NC-ND 4.0