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- W2008387670 abstract "Zeolitic imidazolate framework (ZIF) materials have received considerable attention recently due to their potential as materials for gas separation applications. In this work, we study, both experimentally and with molecular modeling, methane adsorption in a series of five ZIFs (ZIF-25, -71, -93, -96, and -97) that share a common structural topology (RHO), but differ in imidazolate functionalization. Such a series allows for the direct assessment of the role that functionalization plays in determining methane adsorption. Experimental measurements of methane adsorption up to 1 bar at various temperatures are well reproduced by molecular simulations, which are further used to examine adsorption up to higher pressures of 80 bar, and to analyze the preferred binding sites within the structure. We find that CH4 uptake in these ZIFs is roughly proportional to the Brunauer–Emmett–Teller (BET) surface area, in contrast to our earlier work on the adsorption of CO2 for this series [J. Am. Chem. Soc.2010, 132, 11006], which showed a significant enhancement of CO2 adsorption, due to electrostatic effects, in asymmetrically functionalized ZIFs (ZIF-93, -96, -97) over those with symmetric functionalization (ZIF-25, -71). Furthermore, the ideal adsorbed solution theory (IAST) is used to predict selectivity of CO2 over CH4 in these RHO ZIFs by fitting CH4 adsorption measurements in this work and the CO2 experimental isotherms from our earlier work [J. Am. Chem. Soc.2010, 132, 11006]." @default.
- W2008387670 created "2016-06-24" @default.
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- W2008387670 date "2013-05-13" @default.
- W2008387670 modified "2023-10-18" @default.
- W2008387670 title "A Combined Experimental–Computational Investigation of Methane Adsorption and Selectivity in a Series of Isoreticular Zeolitic Imidazolate Frameworks" @default.
- W2008387670 cites W1970144466 @default.
- W2008387670 cites W1972106760 @default.
- W2008387670 cites W1972429571 @default.
- W2008387670 cites W1973464595 @default.
- W2008387670 cites W1975501285 @default.
- W2008387670 cites W1979993416 @default.
- W2008387670 cites W1988187459 @default.
- W2008387670 cites W1993745000 @default.
- W2008387670 cites W1997682680 @default.
- W2008387670 cites W1998128953 @default.
- W2008387670 cites W1998167445 @default.
- W2008387670 cites W2000443388 @default.
- W2008387670 cites W2000581072 @default.
- W2008387670 cites W2001037711 @default.
- W2008387670 cites W2001982155 @default.
- W2008387670 cites W2002266840 @default.
- W2008387670 cites W2002319969 @default.
- W2008387670 cites W2002487183 @default.
- W2008387670 cites W2003370141 @default.
- W2008387670 cites W2003785763 @default.
- W2008387670 cites W2005947717 @default.
- W2008387670 cites W2006776390 @default.
- W2008387670 cites W2007548657 @default.
- W2008387670 cites W2010328792 @default.
- W2008387670 cites W2012272068 @default.
- W2008387670 cites W2013498673 @default.
- W2008387670 cites W2016159385 @default.
- W2008387670 cites W2016854671 @default.
- W2008387670 cites W2018643298 @default.
- W2008387670 cites W2018832904 @default.
- W2008387670 cites W2019293828 @default.
- W2008387670 cites W2019465613 @default.
- W2008387670 cites W2020039565 @default.
- W2008387670 cites W2021549741 @default.
- W2008387670 cites W2025628771 @default.
- W2008387670 cites W2025734933 @default.
- W2008387670 cites W2028182782 @default.
- W2008387670 cites W2030971064 @default.
- W2008387670 cites W2031588335 @default.
- W2008387670 cites W2035814934 @default.
- W2008387670 cites W2036412791 @default.
- W2008387670 cites W2037278963 @default.
- W2008387670 cites W2038440906 @default.
- W2008387670 cites W2039028350 @default.
- W2008387670 cites W2039853779 @default.
- W2008387670 cites W2046138316 @default.
- W2008387670 cites W2046464929 @default.
- W2008387670 cites W2047916257 @default.
- W2008387670 cites W2050311951 @default.
- W2008387670 cites W2050842663 @default.
- W2008387670 cites W2051381895 @default.
- W2008387670 cites W2051958965 @default.
- W2008387670 cites W2053700726 @default.
- W2008387670 cites W2054881399 @default.
- W2008387670 cites W2056127514 @default.
- W2008387670 cites W2060860425 @default.
- W2008387670 cites W2063091996 @default.
- W2008387670 cites W2064477776 @default.
- W2008387670 cites W2065021157 @default.
- W2008387670 cites W2067329791 @default.
- W2008387670 cites W2068706210 @default.
- W2008387670 cites W2069222330 @default.
- W2008387670 cites W2069945445 @default.
- W2008387670 cites W2072243025 @default.
- W2008387670 cites W2080316712 @default.
- W2008387670 cites W2087811083 @default.
- W2008387670 cites W2089923744 @default.
- W2008387670 cites W2094392172 @default.
- W2008387670 cites W2098393780 @default.
- W2008387670 cites W2099486431 @default.
- W2008387670 cites W2100496925 @default.
- W2008387670 cites W2101202318 @default.
- W2008387670 cites W2113254436 @default.
- W2008387670 cites W2129288307 @default.
- W2008387670 cites W2153785089 @default.
- W2008387670 cites W2163535530 @default.
- W2008387670 cites W2166689829 @default.
- W2008387670 cites W2312788560 @default.
- W2008387670 cites W2318306843 @default.
- W2008387670 cites W2318717484 @default.
- W2008387670 cites W2320057048 @default.
- W2008387670 cites W2320170576 @default.
- W2008387670 cites W2322288271 @default.