Matches in SemOpenAlex for { <https://semopenalex.org/work/W1973965765> ?p ?o ?g. }
- W1973965765 endingPage "11550" @default.
- W1973965765 startingPage "11542" @default.
- W1973965765 abstract "A molecular simulation study is reported for the adsorption of water and alcohols (methanol and ethanol) in two metal−organic frameworks (MOFs) topologically similar to rho-zeolite; one is a hydrophilic Na+-exchanged rho-zeolite-like MOF (Na-rho-ZMOF), and the other is a hydrophobic zeolitic−imidazolate framework-71 (ZIF-71). The adsorption isotherms in Na-rho-ZMOF are type I as a consequence of the high affinity of the nonframework Na+ ions and ionic framework. The adsorption capacity decreases in the order of water > methanol > ethanol. Water is adsorbed more closely in the window region, whereas methanol and ethanol are populated in the α cage due to steric effect. In water/methanol and water/ethanol mixtures, water adsorption increases continuously with increasing pressure and replaces alcohols competitively at high pressures. In ZIF-71, the framework−adsorbate affinity is relatively weaker and type V adsorption is observed. Water has vanishingly small adsorption at low pressures and a sharp increase in adsorption at 22 kPa due to capillary condensation. Methanol and ethanol exhibit cluster-growth adsorption, followed by continuous pore filling. The adsorption in ZIF-71 increases in the order of water < methanol < ethanol at low pressures; however, the opposite order is observed at high pressures because of entropy effect. In water/alcohol mixtures, alcohols are selectively more adsorbed at low pressures but surpassed by water with increasing pressure. The framework charges have a substantial effect on adsorption in Na-rho-ZMOF, but not in ZIF-71. This study provides a molecular understanding for the adsorption of water and alcohols in two zeolitic MOFs with the identical topology and reveals the significantly different adsorption mechanisms." @default.
- W1973965765 created "2016-06-24" @default.
- W1973965765 creator A5054308712 @default.
- W1973965765 creator A5072476367 @default.
- W1973965765 creator A5079849954 @default.
- W1973965765 date "2010-06-10" @default.
- W1973965765 modified "2023-10-01" @default.
- W1973965765 title "Molecular Understanding for the Adsorption of Water and Alcohols in Hydrophilic and Hydrophobic Zeolitic Metal−Organic Frameworks" @default.
- W1973965765 cites W1964953510 @default.
- W1973965765 cites W1968666708 @default.
- W1973965765 cites W1969982142 @default.
- W1973965765 cites W1972106760 @default.
- W1973965765 cites W1972429571 @default.
- W1973965765 cites W1974864818 @default.
- W1973965765 cites W1975398525 @default.
- W1973965765 cites W1985035122 @default.
- W1973965765 cites W1986022082 @default.
- W1973965765 cites W1987736265 @default.
- W1973965765 cites W1987766369 @default.
- W1973965765 cites W1988187459 @default.
- W1973965765 cites W1989128973 @default.
- W1973965765 cites W1991012360 @default.
- W1973965765 cites W1994591674 @default.
- W1973965765 cites W1996261042 @default.
- W1973965765 cites W2001037711 @default.
- W1973965765 cites W2001354180 @default.
- W1973965765 cites W2010587930 @default.
- W1973965765 cites W2011018859 @default.
- W1973965765 cites W2011460312 @default.
- W1973965765 cites W2012155212 @default.
- W1973965765 cites W2012435141 @default.
- W1973965765 cites W2019293828 @default.
- W1973965765 cites W2022167379 @default.
- W1973965765 cites W2028182782 @default.
- W1973965765 cites W2030971064 @default.
- W1973965765 cites W2034383720 @default.
- W1973965765 cites W2040563720 @default.
- W1973965765 cites W2043901383 @default.
- W1973965765 cites W2047198066 @default.
- W1973965765 cites W2049696358 @default.
- W1973965765 cites W2052874602 @default.
- W1973965765 cites W2054067063 @default.
- W1973965765 cites W2057295600 @default.
- W1973965765 cites W2063716026 @default.
- W1973965765 cites W2065517828 @default.
- W1973965765 cites W2069548705 @default.
- W1973965765 cites W2076106456 @default.
- W1973965765 cites W2084198473 @default.
- W1973965765 cites W2085971925 @default.
- W1973965765 cites W2086870787 @default.
- W1973965765 cites W2090933587 @default.
- W1973965765 cites W2102537419 @default.
- W1973965765 cites W2107029002 @default.
- W1973965765 cites W2114391604 @default.
- W1973965765 cites W2153995188 @default.
- W1973965765 cites W2157942880 @default.
- W1973965765 cites W2159683864 @default.
- W1973965765 cites W2163470323 @default.
- W1973965765 cites W2163535530 @default.
- W1973965765 cites W4236097021 @default.
- W1973965765 cites W4239958190 @default.
- W1973965765 doi "https://doi.org/10.1021/jp1033273" @default.
- W1973965765 hasPublicationYear "2010" @default.
- W1973965765 type Work @default.
- W1973965765 sameAs 1973965765 @default.
- W1973965765 citedByCount "110" @default.
- W1973965765 countsByYear W19739657652012 @default.
- W1973965765 countsByYear W19739657652013 @default.
- W1973965765 countsByYear W19739657652014 @default.
- W1973965765 countsByYear W19739657652015 @default.
- W1973965765 countsByYear W19739657652016 @default.
- W1973965765 countsByYear W19739657652017 @default.
- W1973965765 countsByYear W19739657652018 @default.
- W1973965765 countsByYear W19739657652019 @default.
- W1973965765 countsByYear W19739657652020 @default.
- W1973965765 countsByYear W19739657652021 @default.
- W1973965765 countsByYear W19739657652022 @default.
- W1973965765 countsByYear W19739657652023 @default.
- W1973965765 crossrefType "journal-article" @default.
- W1973965765 hasAuthorship W1973965765A5054308712 @default.
- W1973965765 hasAuthorship W1973965765A5072476367 @default.
- W1973965765 hasAuthorship W1973965765A5079849954 @default.
- W1973965765 hasConcept C127413603 @default.
- W1973965765 hasConcept C150394285 @default.
- W1973965765 hasConcept C161790260 @default.
- W1973965765 hasConcept C178790620 @default.
- W1973965765 hasConcept C179104552 @default.
- W1973965765 hasConcept C179366358 @default.
- W1973965765 hasConcept C185592680 @default.
- W1973965765 hasConcept C201194858 @default.
- W1973965765 hasConcept C2778077586 @default.
- W1973965765 hasConcept C2779607525 @default.
- W1973965765 hasConcept C2780161600 @default.
- W1973965765 hasConcept C2780596747 @default.
- W1973965765 hasConcept C2781066024 @default.
- W1973965765 hasConcept C27983359 @default.
- W1973965765 hasConcept C42360764 @default.
- W1973965765 hasConcept C90260826 @default.