- Title
- Continuum modeling with functional Lennard-Jones parameters for methane storage inside various carbon nanostructures
- Creator
- Stevens, Kyle; Thamwattana, Ngamta; Tran-Duc, Thien
- Relation
- ACS Omega Vol. 7, Issue 34, p. 29773-29786
- Publisher Link
- http://dx.doi.org/10.1021/acsomega.2c02485
- Publisher
- American Chemical Society (ACS)
- Resource Type
- journal article
- Date
- 2022
- Description
- 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.
- Subject
- carbon nanomaterials; hydrocarbons; molecular interactions; molecules; nanospheres; SDG 13; Sustainable Development Goals
- Identifier
- http://hdl.handle.net/1959.13/1482002
- Identifier
- uon:50834
- Identifier
- ISSN:2470-1343
- Rights
- Copyright © 2022 The Authors. Published by American Chemical Society. This publication is licensed under CC-BY-NC-ND 4.0.
- Language
- eng
- Full Text
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Goal 13: Climate Change
| Thumbnail | File | Description | Size | Format | |||
|---|---|---|---|---|---|---|---|
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