Different approach to estimation of hydrogen-binding energy in nanospace-engineered activated carbons

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dc.contributor.author Firlej, L.
dc.contributor.author Beckner, M.
dc.contributor.author Romanos, J.
dc.contributor.author Pfeifer, P.
dc.contributor.author Kuchta, B.
dc.date.accessioned 2019-10-10T11:37:30Z
dc.date.available 2019-10-10T11:37:30Z
dc.date.copyright 2014 en_US
dc.date.issued 2019-10-10
dc.identifier.issn 1932-7455 en_US
dc.identifier.uri http://hdl.handle.net/10725/11412
dc.description.abstract Binding energy between adsorbent and adsorbate strongly affects the mechanism of adsorption. Porous systems are usually characterized by a distribution of this energy, which is not easy to determine experimentally. A coupled experimental-simulation procedure to estimate binding energy directly from experimental adsorption isotherms is proposed. This new approach combines experimental information (pore size distribution determined from nitrogen adsorption at 77 K) and numerical data (grand canonical Monte Carlo simulations of adsorption in pores) to explain an influence of binding energy on adsorption isotherms. The procedure has been validated by analysis of hydrogen adsorption in a series of carbons activated with KOH:C ratio varying from 3 to 6. These carbons show high capacity of hydrogen storage both at 80 and 303 K (115 gH2/kgC and 23 gH2/kgC at p = 100 bar, respectively, for carbon activated during 1 h at T = 790 C (T = 1361 K) with KOH:C ratio equal to 3, having the surface area above 2600 m2/g, 0.77 porosity, and large fraction (31%) of pores with average width below 1 nm). An additional energetic parameter has been introduced into the conventional fitting procedure to account for the distribution of adsorption energy in measured samples. The observed high consistency between experimental and simulated results validates/correlates the characterization procedures and proves the coherence and robustness of both the experimental results and the numerical simulations. en_US
dc.language.iso en en_US
dc.title Different approach to estimation of hydrogen-binding energy in nanospace-engineered activated carbons en_US
dc.type Article en_US
dc.description.version Published en_US
dc.author.school SAS en_US
dc.author.idnumber 201306300 en_US
dc.author.department Natural Sciences en_US
dc.description.embargo N/A en_US
dc.relation.journal Journal of Physical Chemistry C en_US
dc.journal.volume 118 en_US
dc.journal.issue 2 en_US
dc.article.pages 955-961 en_US
dc.identifier.doi https://doi.org/10.1021/jp405375g en_US
dc.identifier.ctation Firlej, L., Beckner, M., Romanos, J., Pfeifer, P., & Kuchta, B. (2013). Different approach to estimation of hydrogen-binding energy in nanospace-engineered activated carbons. The Journal of Physical Chemistry C, 118(2), 955-961. en_US
dc.author.email jimmy.romanos@lau.edu.lb en_US
dc.identifier.tou http://libraries.lau.edu.lb/research/laur/terms-of-use/articles.php en_US
dc.identifier.url https://pubs.acs.org/doi/abs/10.1021/jp405375g en_US
dc.orcid.id https://orcid.org/0000-0002-5408-1657 en_US
dc.author.affiliation Lebanese American University en_US

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