Matches in SemOpenAlex for { <https://semopenalex.org/work/W2061353204> ?p ?o ?g. }
Showing items 1 to 97 of
97
with 100 items per page.
- W2061353204 endingPage "66" @default.
- W2061353204 startingPage "60" @default.
- W2061353204 abstract "Grand canonical Monte Carlo (GCMC) simulations were employed to compute the adsorption of hydrogen gas in zeolitic imidazolate frameworks (ZIFs). This set of ZIFs has the same basic structure, but different functional groups or central metal ions were substituted into the zeolitic framework. The amount of hydrogen adsorption in ZIFs is mainly affected by the effective porosity, but the substituent group may also influence the hydrogen adsorption amount. Under both low pressure and high pressure conditions, the trend in hydrogen adsorption amount is: –NO2>–CN (–Cl)>–CH3, which suggests a role for the electronegativity of the substituted functional group. Generally speaking, the higher the electronegativity, the larger the adsorption amount. However, the –C6H4 group is a special functional group with high π-electron delocalization that can greatly increase the saturated adsorption amount by ZIFs. The effect of the benzene (–C6H4 group) fused to imidazole in the large pores of ZIFs is superior relative to that in the small pores. The central metal ion, Zn(II) or Co(II), plays a negligible role in the ZIFs saturation adsorption capacity. These results may be helpful in designing and synthesizing new ZIFs with higher hydrogen uptake capability." @default.
- W2061353204 created "2016-06-24" @default.
- W2061353204 creator A5000761841 @default.
- W2061353204 creator A5015195367 @default.
- W2061353204 creator A5016729221 @default.
- W2061353204 creator A5035827314 @default.
- W2061353204 creator A5069618747 @default.
- W2061353204 date "2013-06-01" @default.
- W2061353204 modified "2023-10-17" @default.
- W2061353204 title "Effects of substituent groups and central metal ion on hydrogen adsorption in zeolitic imidazolate frameworks" @default.
- W2061353204 cites W1968897108 @default.
- W2061353204 cites W1970072302 @default.
- W2061353204 cites W1976122321 @default.
- W2061353204 cites W1981823640 @default.
- W2061353204 cites W2001037711 @default.
- W2061353204 cites W2003370141 @default.
- W2061353204 cites W2007548657 @default.
- W2061353204 cites W2012219400 @default.
- W2061353204 cites W2015811967 @default.
- W2061353204 cites W2020039565 @default.
- W2061353204 cites W2025628771 @default.
- W2061353204 cites W2030971064 @default.
- W2061353204 cites W2037278963 @default.
- W2061353204 cites W2038040645 @default.
- W2061353204 cites W2038440906 @default.
- W2061353204 cites W2046120957 @default.
- W2061353204 cites W2057240571 @default.
- W2061353204 cites W2062930697 @default.
- W2061353204 cites W2067447722 @default.
- W2061353204 cites W2093626010 @default.
- W2061353204 cites W2113254436 @default.
- W2061353204 cites W2163535530 @default.
- W2061353204 cites W4246242966 @default.
- W2061353204 cites W4382914080 @default.
- W2061353204 doi "https://doi.org/10.1016/j.ces.2013.03.044" @default.
- W2061353204 hasPublicationYear "2013" @default.
- W2061353204 type Work @default.
- W2061353204 sameAs 2061353204 @default.
- W2061353204 citedByCount "13" @default.
- W2061353204 countsByYear W20613532042014 @default.
- W2061353204 countsByYear W20613532042015 @default.
- W2061353204 countsByYear W20613532042016 @default.
- W2061353204 countsByYear W20613532042017 @default.
- W2061353204 countsByYear W20613532042018 @default.
- W2061353204 countsByYear W20613532042019 @default.
- W2061353204 crossrefType "journal-article" @default.
- W2061353204 hasAuthorship W2061353204A5000761841 @default.
- W2061353204 hasAuthorship W2061353204A5015195367 @default.
- W2061353204 hasAuthorship W2061353204A5016729221 @default.
- W2061353204 hasAuthorship W2061353204A5035827314 @default.
- W2061353204 hasAuthorship W2061353204A5069618747 @default.
- W2061353204 hasConcept C147789679 @default.
- W2061353204 hasConcept C150394285 @default.
- W2061353204 hasConcept C177293861 @default.
- W2061353204 hasConcept C178790620 @default.
- W2061353204 hasConcept C179104552 @default.
- W2061353204 hasConcept C179366358 @default.
- W2061353204 hasConcept C185592680 @default.
- W2061353204 hasConcept C2777691172 @default.
- W2061353204 hasConcept C2778689049 @default.
- W2061353204 hasConcept C2780874372 @default.
- W2061353204 hasConcept C27983359 @default.
- W2061353204 hasConcept C512968161 @default.
- W2061353204 hasConcept C544153396 @default.
- W2061353204 hasConceptScore W2061353204C147789679 @default.
- W2061353204 hasConceptScore W2061353204C150394285 @default.
- W2061353204 hasConceptScore W2061353204C177293861 @default.
- W2061353204 hasConceptScore W2061353204C178790620 @default.
- W2061353204 hasConceptScore W2061353204C179104552 @default.
- W2061353204 hasConceptScore W2061353204C179366358 @default.
- W2061353204 hasConceptScore W2061353204C185592680 @default.
- W2061353204 hasConceptScore W2061353204C2777691172 @default.
- W2061353204 hasConceptScore W2061353204C2778689049 @default.
- W2061353204 hasConceptScore W2061353204C2780874372 @default.
- W2061353204 hasConceptScore W2061353204C27983359 @default.
- W2061353204 hasConceptScore W2061353204C512968161 @default.
- W2061353204 hasConceptScore W2061353204C544153396 @default.
- W2061353204 hasLocation W20613532041 @default.
- W2061353204 hasOpenAccess W2061353204 @default.
- W2061353204 hasPrimaryLocation W20613532041 @default.
- W2061353204 hasRelatedWork W2012860633 @default.
- W2061353204 hasRelatedWork W2034733338 @default.
- W2061353204 hasRelatedWork W2058442518 @default.
- W2061353204 hasRelatedWork W2257555439 @default.
- W2061353204 hasRelatedWork W228314565 @default.
- W2061353204 hasRelatedWork W2754134719 @default.
- W2061353204 hasRelatedWork W2986873337 @default.
- W2061353204 hasRelatedWork W3089936095 @default.
- W2061353204 hasRelatedWork W3129867761 @default.
- W2061353204 hasRelatedWork W1972836053 @default.
- W2061353204 hasVolume "97" @default.
- W2061353204 isParatext "false" @default.
- W2061353204 isRetracted "false" @default.
- W2061353204 magId "2061353204" @default.
- W2061353204 workType "article" @default.