Artículo
Adsorption of Natural Gas Mixtures of Methane, Ethane, and Propane in Nanoporous Carbon: Fully Atomistic Numerical Studies
Fecha de publicación:
26/03/2020
Editorial:
American Chemical Society
Revista:
Langmuir
ISSN:
0743-7463
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Natural gas (NG) is an interesting primary fuel; its larger-scale use is hindered by the difficulties of storing it under high pressures or low temperatures; a viable alternative is its storage via physisorption in porous materials. Most NG adsorption studies have focused on adsorption of pure methane, its primary component. Here we investigate the influence of heavier alkanes commonly found in NG (propane, ethane) on the adsorption process. We present the results of extensive molecular dynamics simulations of mixtures of methane?propane and methane?ethane at T = 300 and 400 K and P = 0?1500 bar in slit-shaped pores with interlayer spacings H = 8?20 Å. We observed that heavier hydrocarbons adsorb preferentially but remain mobile, which is promising for the intended application. We also solved a common problem with simulations of molecules with high adsorption affinity: the difficulty to determine their partial pressure. We developed an Arrhenius-type relationship allowing the calculation of these partial pressures from relationships between energy distributions of the different molecules in the simulations in conditions where a direct determination of these is impractical or impossible.
Palabras clave:
NATURAL GAS
,
GRAPHENE
,
ACTIVATED CARBON
,
DIFFUSION
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Articulos(CCT - MENDOZA)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - MENDOZA
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - MENDOZA
Articulos(INFAP)
Articulos de INST. DE FISICA APLICADA "DR. JORGE ANDRES ZGRABLICH"
Articulos de INST. DE FISICA APLICADA "DR. JORGE ANDRES ZGRABLICH"
Citación
Valleroy, Zachary; Dos Santos Mendez, Gonzalo Joaquín; Lombardi, Todd; Wexler, Carlos; Adsorption of Natural Gas Mixtures of Methane, Ethane, and Propane in Nanoporous Carbon: Fully Atomistic Numerical Studies; American Chemical Society; Langmuir; 36; 14; 26-3-2020; 3690-3702
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