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• W2317133609 abstract "We present a framework for rapidly predicting gas adsorption properties based on van der Waals density functional calculations and thermodynamic modeling. Utilizing this model and experimentally determined pore size distributions, we are able to accurately predict uptakes in five activated carbon materials without empirical potentials or lengthy simulations. Our results demonstrate that materials with smaller pores and higher heats of adsorption can still have poor adsorption characteristics due to relatively low densities of highly adsorbent pores." @default.
• W2317133609 created "2016-06-24" @default.
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• W2317133609 date "2013-12-03" @default.
• W2317133609 modified "2023-09-25" @default.
• W2317133609 title "Microstructure-Dependent Gas Adsorption: Accurate Predictions of Methane Uptake in Nanoporous Carbons" @default.
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• W2317133609 doi "https://doi.org/10.1021/ct400875n" @default.
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• W2317133609 hasPublicationYear "2013" @default.
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