FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2755600642> ?p ?o ?g. }

• W2755600642 endingPage "22030" @default.
• W2755600642 startingPage "22025" @default.
• W2755600642 abstract "Pore size is an essential factor in controlling gas sorption in porous separation media. The overlap of the potential energy surface (PES) of CO2 interacting with a cylindrical pore wall can be used to tune gas sorption inside a porous material, but how such overlap can benefit post-combustion CO2 capture has not been fully addressed from a computational perspective. Here we use van der Waals density functional (vdW-DF) theory to assess the overlap of PES of CO2 inside cylindrical pores as represented by carbon nanotubes (CNTs) of different diameters. Then we employ grand-canonical Monte Carlo simulations to obtain the adsorption capacity and selectivity of a CO2/N2 mixture with a CO2 partial pressure of 0.15 bar at room temperature. We find that the maximum PES overlap and maximum amount of CO2 adsorbed are both achieved at a CNT diameter or cylindrical pore size of 7.8 Å, which corresponds to an accessible pore size of 4.4 Å. A further investigation of N2 adsorption corroborates the idea of PES overlap. GCMC simulations reveal that a maximum CO2/N2 selectivity of ∼33 is reached at a CNT diameter of 7.05 Å for the gas mixture. This work suggests that a cylindrical pore size between 7 and 8 Å would be most beneficial for post-combustion CO2 capture from overlap of PES." @default.
• W2755600642 created "2017-09-25" @default.
• W2755600642 creator A5018814519 @default.
• W2755600642 creator A5031199152 @default.
• W2755600642 creator A5040116594 @default.
• W2755600642 creator A5043875055 @default.
• W2755600642 date "2017-09-29" @default.
• W2755600642 modified "2023-10-18" @default.
• W2755600642 title "Optimal Size of a Cylindrical Pore for Post-Combustion CO₂ Capture" @default.
• W2755600642 cites W1964344603 @default.
• W2755600642 cites W1970127494 @default.
• W2755600642 cites W1981368803 @default.
• W2755600642 cites W1992786254 @default.
• W2755600642 cites W1999343478 @default.
• W2755600642 cites W2000536749 @default.
• W2755600642 cites W2003193361 @default.
• W2755600642 cites W2011338778 @default.
• W2755600642 cites W2018664638 @default.
• W2755600642 cites W2019832034 @default.
• W2755600642 cites W2024322278 @default.
• W2755600642 cites W2026873621 @default.
• W2755600642 cites W2030601089 @default.
• W2755600642 cites W2042831115 @default.
• W2755600642 cites W2043370572 @default.
• W2755600642 cites W2052967081 @default.
• W2755600642 cites W2057523617 @default.
• W2755600642 cites W2062396111 @default.
• W2755600642 cites W2062904068 @default.
• W2755600642 cites W2077933138 @default.
• W2755600642 cites W2083222334 @default.
• W2755600642 cites W2094145140 @default.
• W2755600642 cites W2098336232 @default.
• W2755600642 cites W2104943417 @default.
• W2755600642 cites W2120413458 @default.
• W2755600642 cites W2125053394 @default.
• W2755600642 cites W2130360607 @default.
• W2755600642 cites W2132548800 @default.
• W2755600642 cites W2136939531 @default.
• W2755600642 cites W2146300898 @default.
• W2755600642 cites W2168175046 @default.
• W2755600642 cites W2172244670 @default.
• W2755600642 cites W2234125565 @default.
• W2755600642 cites W2276886307 @default.
• W2755600642 cites W2289948488 @default.
• W2755600642 cites W2295117852 @default.
• W2755600642 cites W2321275085 @default.
• W2755600642 cites W2322331492 @default.
• W2755600642 cites W2324337087 @default.
• W2755600642 cites W2325297772 @default.
• W2755600642 cites W2328064830 @default.
• W2755600642 cites W2332283567 @default.
• W2755600642 cites W2344280592 @default.
• W2755600642 cites W2427685362 @default.
• W2755600642 cites W2464697900 @default.
• W2755600642 cites W2474213961 @default.
• W2755600642 cites W2483716537 @default.
• W2755600642 cites W2495679978 @default.
• W2755600642 cites W2516416574 @default.
• W2755600642 cites W2560221171 @default.
• W2755600642 cites W2566055581 @default.
• W2755600642 cites W2584077525 @default.
• W2755600642 cites W2948440321 @default.
• W2755600642 cites W4239958190 @default.
• W2755600642 doi "https://doi.org/10.1021/acs.jpcc.7b05516" @default.
• W2755600642 hasPublicationYear "2017" @default.
• W2755600642 type Work @default.
• W2755600642 sameAs 2755600642 @default.
• W2755600642 citedByCount "9" @default.
• W2755600642 countsByYear W27556006422019 @default.
• W2755600642 countsByYear W27556006422021 @default.
• W2755600642 countsByYear W27556006422022 @default.
• W2755600642 countsByYear W27556006422023 @default.
• W2755600642 crossrefType "journal-article" @default.
• W2755600642 hasAuthorship W2755600642A5018814519 @default.
• W2755600642 hasAuthorship W2755600642A5031199152 @default.
• W2755600642 hasAuthorship W2755600642A5040116594 @default.
• W2755600642 hasAuthorship W2755600642A5043875055 @default.
• W2755600642 hasBestOaLocation W27556006422 @default.
• W2755600642 hasConcept C105569014 @default.
• W2755600642 hasConcept C105923489 @default.
• W2755600642 hasConcept C118792377 @default.
• W2755600642 hasConcept C121332964 @default.
• W2755600642 hasConcept C126061179 @default.
• W2755600642 hasConcept C127413603 @default.
• W2755600642 hasConcept C147789679 @default.
• W2755600642 hasConcept C150394285 @default.
• W2755600642 hasConcept C153294291 @default.
• W2755600642 hasConcept C159467904 @default.
• W2755600642 hasConcept C159985019 @default.
• W2755600642 hasConcept C161790260 @default.
• W2755600642 hasConcept C171250308 @default.
• W2755600642 hasConcept C178790620 @default.
• W2755600642 hasConcept C185592680 @default.
• W2755600642 hasConcept C18762648 @default.
• W2755600642 hasConcept C188721877 @default.
• W2755600642 hasConcept C192562407 @default.
• W2755600642 hasConcept C32909587 @default.
• W2755600642 hasConcept C42360764 @default.

• next