Matches in SemOpenAlex for { <https://semopenalex.org/work/W2804879770> ?p ?o ?g. }
- W2804879770 endingPage "191" @default.
- W2804879770 startingPage "183" @default.
- W2804879770 abstract "Nano-scale porous solids are alternate candidates for CO2 handling towards the development of materials for post-combustion CO2 capture with low energy demands and milder operating conditions. Zeolitic imidazolate framework-8 (ZIF-8) is one of the most investigated Metal Organic Frameworks (MOFs) for separation of gas mixtures. In this work, we investigate a new approach of tailoring MOF separation efficiency, by confining pairs of [bmim+][Tf2N−] ionic liquid (IL) in the cages of ZIF-8 ([email protected]). Molecular force fields, developed by the authors for both the ZIF-8 framework and the [bmim+][Tf2N−] IL, are used in molecular simulations of the system. Monte Carlo simulations are used for sorption of CO2/CH4 and CO2/N2 mixtures computations. The results show an increase of the CO2 sorption due to the presence of the IL, which increases CO2 selectivity and capacity dramatically. Recently reported experiments agree with our findings. Moreover, we explore how CO2 selectivity and capacity varies with IL composition in the [email protected] complex, as means to define an optimum IL composition in terms of the separation efficiency." @default.
- W2804879770 created "2018-06-01" @default.
- W2804879770 creator A5011062500 @default.
- W2804879770 creator A5071837327 @default.
- W2804879770 creator A5084413552 @default.
- W2804879770 date "2018-07-01" @default.
- W2804879770 modified "2023-09-25" @default.
- W2804879770 title "CO2 selective metal organic framework ZIF-8 modified through ionic liquid encapsulation: A computational study" @default.
- W2804879770 cites W1965803603 @default.
- W2804879770 cites W1970144466 @default.
- W2804879770 cites W1976416233 @default.
- W2804879770 cites W1977418233 @default.
- W2804879770 cites W1977952172 @default.
- W2804879770 cites W1987251106 @default.
- W2804879770 cites W1989036019 @default.
- W2804879770 cites W1991256359 @default.
- W2804879770 cites W1996866886 @default.
- W2804879770 cites W2003370141 @default.
- W2804879770 cites W2004023381 @default.
- W2804879770 cites W2005069020 @default.
- W2804879770 cites W2035616341 @default.
- W2804879770 cites W2045536087 @default.
- W2804879770 cites W2046138316 @default.
- W2804879770 cites W2047807446 @default.
- W2804879770 cites W2049832221 @default.
- W2804879770 cites W2051381895 @default.
- W2804879770 cites W2051958965 @default.
- W2804879770 cites W2053631681 @default.
- W2804879770 cites W2054700127 @default.
- W2804879770 cites W2060899896 @default.
- W2804879770 cites W2063886231 @default.
- W2804879770 cites W2072239358 @default.
- W2804879770 cites W2078402834 @default.
- W2804879770 cites W2089537293 @default.
- W2804879770 cites W2093770411 @default.
- W2804879770 cites W2115357650 @default.
- W2804879770 cites W2132172019 @default.
- W2804879770 cites W2135540834 @default.
- W2804879770 cites W2137308413 @default.
- W2804879770 cites W2148619538 @default.
- W2804879770 cites W2161787079 @default.
- W2804879770 cites W2163535530 @default.
- W2804879770 cites W2169435172 @default.
- W2804879770 cites W2285462046 @default.
- W2804879770 cites W2308593310 @default.
- W2804879770 cites W2314335477 @default.
- W2804879770 cites W2324486822 @default.
- W2804879770 cites W2327992839 @default.
- W2804879770 cites W2333001683 @default.
- W2804879770 cites W2334593337 @default.
- W2804879770 cites W2335332919 @default.
- W2804879770 cites W2420473182 @default.
- W2804879770 cites W2464808910 @default.
- W2804879770 cites W2517716342 @default.
- W2804879770 cites W2545686934 @default.
- W2804879770 cites W2605420184 @default.
- W2804879770 cites W2607412255 @default.
- W2804879770 cites W2618251190 @default.
- W2804879770 cites W2686431797 @default.
- W2804879770 cites W2739188434 @default.
- W2804879770 cites W2753960294 @default.
- W2804879770 doi "https://doi.org/10.1016/j.jocs.2018.05.010" @default.
- W2804879770 hasPublicationYear "2018" @default.
- W2804879770 type Work @default.
- W2804879770 sameAs 2804879770 @default.
- W2804879770 citedByCount "16" @default.
- W2804879770 countsByYear W28048797702018 @default.
- W2804879770 countsByYear W28048797702019 @default.
- W2804879770 countsByYear W28048797702020 @default.
- W2804879770 countsByYear W28048797702021 @default.
- W2804879770 countsByYear W28048797702022 @default.
- W2804879770 countsByYear W28048797702023 @default.
- W2804879770 crossrefType "journal-article" @default.
- W2804879770 hasAuthorship W2804879770A5011062500 @default.
- W2804879770 hasAuthorship W2804879770A5071837327 @default.
- W2804879770 hasAuthorship W2804879770A5084413552 @default.
- W2804879770 hasConcept C118792377 @default.
- W2804879770 hasConcept C127413603 @default.
- W2804879770 hasConcept C147597530 @default.
- W2804879770 hasConcept C150394285 @default.
- W2804879770 hasConcept C154881586 @default.
- W2804879770 hasConcept C159985019 @default.
- W2804879770 hasConcept C161790260 @default.
- W2804879770 hasConcept C178790620 @default.
- W2804879770 hasConcept C179366358 @default.
- W2804879770 hasConcept C185592680 @default.
- W2804879770 hasConcept C192562407 @default.
- W2804879770 hasConcept C2780596747 @default.
- W2804879770 hasConcept C27983359 @default.
- W2804879770 hasConcept C42360764 @default.
- W2804879770 hasConcept C58445606 @default.
- W2804879770 hasConcept C59593255 @default.
- W2804879770 hasConcept C6648577 @default.
- W2804879770 hasConceptScore W2804879770C118792377 @default.
- W2804879770 hasConceptScore W2804879770C127413603 @default.
- W2804879770 hasConceptScore W2804879770C147597530 @default.
- W2804879770 hasConceptScore W2804879770C150394285 @default.
- W2804879770 hasConceptScore W2804879770C154881586 @default.