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Title: The equilibrium constants for molecular hydrogen adsorption in carbon nanotubes based on iteratively determined nano-confined bound states.

Abstract

A model for H{sub 2} inside single-walled carbon nanotubes is outlined. ARPACK (the Arnoldi package), a robust iterative matrix-vector eigenvalue software library, is used to determine the allowed quantum states of H{sub 2} inside various carbon nanotubes. This information is used to construct the equilibrium constants for H{sub 2} adsorption as a function of temperature for a variety of CNTs.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
961360
Report Number(s):
ANL/CHM/JA-47113
TRN: US201011%%633
DOE Contract Number:  
DE-AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
J. Theor. Comput. Chem.
Additional Journal Information:
Journal Volume: 2; Journal Issue: 4 ; Dec. 2003
Country of Publication:
United States
Language:
ENGLISH
Subject:
08 HYDROGEN; ADSORPTION; BOUND STATE; CARBON; EIGENSTATES; EIGENVALUES; EQUILIBRIUM; FUNCTIONS; HYDROGEN; HYDROGEN STORAGE; ITERATIVE METHODS; NANOTUBES; TEMPERATURE DEPENDENCE

Citation Formats

Lu, T, Goldfield, E M, Gray, S K, Chemistry, and Wayne State Univ. The equilibrium constants for molecular hydrogen adsorption in carbon nanotubes based on iteratively determined nano-confined bound states.. United States: N. p., 2003. Web. doi:10.1142/S0219633603000756.
Lu, T, Goldfield, E M, Gray, S K, Chemistry, & Wayne State Univ. The equilibrium constants for molecular hydrogen adsorption in carbon nanotubes based on iteratively determined nano-confined bound states.. United States. https://doi.org/10.1142/S0219633603000756
Lu, T, Goldfield, E M, Gray, S K, Chemistry, and Wayne State Univ. 2003. "The equilibrium constants for molecular hydrogen adsorption in carbon nanotubes based on iteratively determined nano-confined bound states.". United States. https://doi.org/10.1142/S0219633603000756.
@article{osti_961360,
title = {The equilibrium constants for molecular hydrogen adsorption in carbon nanotubes based on iteratively determined nano-confined bound states.},
author = {Lu, T and Goldfield, E M and Gray, S K and Chemistry and Wayne State Univ.},
abstractNote = {A model for H{sub 2} inside single-walled carbon nanotubes is outlined. ARPACK (the Arnoldi package), a robust iterative matrix-vector eigenvalue software library, is used to determine the allowed quantum states of H{sub 2} inside various carbon nanotubes. This information is used to construct the equilibrium constants for H{sub 2} adsorption as a function of temperature for a variety of CNTs.},
doi = {10.1142/S0219633603000756},
url = {https://www.osti.gov/biblio/961360}, journal = {J. Theor. Comput. Chem.},
number = 4 ; Dec. 2003,
volume = 2,
place = {United States},
year = {Mon Dec 01 00:00:00 EST 2003},
month = {Mon Dec 01 00:00:00 EST 2003}
}