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

Journal Article


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.

Publication Date


  • 2022

Citation


  • Stevens, K., Thamwattana, N., & Tran-Duc, T. (2022). Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures. ACS Omega, 7(34), 29773-29786. doi:10.1021/acsomega.2c02485

Scopus Eid


  • 2-s2.0-85136688719

Start Page


  • 29773

End Page


  • 29786

Volume


  • 7

Issue


  • 34

Place Of Publication


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.

Publication Date


  • 2022

Citation


  • Stevens, K., Thamwattana, N., & Tran-Duc, T. (2022). Continuum Modeling with Functional Lennard-Jones Parameters for Methane Storage inside Various Carbon Nanostructures. ACS Omega, 7(34), 29773-29786. doi:10.1021/acsomega.2c02485

Scopus Eid


  • 2-s2.0-85136688719

Start Page


  • 29773

End Page


  • 29786

Volume


  • 7

Issue


  • 34

Place Of Publication