Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures

[Image: see text] 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...

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Autores principales: Stevens, Kyle, Thamwattana, Ngamta, Tran-Duc, Thien
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9434623/
https://www.ncbi.nlm.nih.gov/pubmed/36061669
http://dx.doi.org/10.1021/acsomega.2c02485
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author Stevens, Kyle
Thamwattana, Ngamta
Tran-Duc, Thien
author_facet Stevens, Kyle
Thamwattana, Ngamta
Tran-Duc, Thien
author_sort Stevens, Kyle
collection PubMed
description [Image: see text] 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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spelling pubmed-94346232022-09-02 Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures Stevens, Kyle Thamwattana, Ngamta Tran-Duc, Thien ACS Omega [Image: see text] 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. American Chemical Society 2022-08-18 /pmc/articles/PMC9434623/ /pubmed/36061669 http://dx.doi.org/10.1021/acsomega.2c02485 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Stevens, Kyle
Thamwattana, Ngamta
Tran-Duc, Thien
Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures
title Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures
title_full Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures
title_fullStr Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures
title_full_unstemmed Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures
title_short Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures
title_sort continuum modeling with functional lennard-jones parameters for methane storage inside various carbon nanostructures
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9434623/
https://www.ncbi.nlm.nih.gov/pubmed/36061669
http://dx.doi.org/10.1021/acsomega.2c02485
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AT thamwattanangamta continuummodelingwithfunctionallennardjonesparametersformethanestorageinsidevariouscarbonnanostructures
AT tranducthien continuummodelingwithfunctionallennardjonesparametersformethanestorageinsidevariouscarbonnanostructures

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