scholarly journals Elucidation of Selectivity Reversals for Binary Mixture Adsorption in Microporous Adsorbents

ACS Omega ◽  
2020 ◽  
Vol 5 (15) ◽  
pp. 9031-9040 ◽  
Author(s):  
Rajamani Krishna ◽  
Jasper M. van Baten
Keyword(s):  
Binary Mixture ◽  
Microporous Adsorbents ◽  
Mixture Adsorption

Molecular simulation of binary mixture adsorption in buckytubes and MCM-41

Adsorption ◽  
1996 ◽  
Vol 2 (1) ◽  
pp. 23-32 ◽  
Author(s):  
M. W. Maddox ◽  
S. L. Sowers ◽  
K. E. Gubbins
Keyword(s):  
Binary Mixture ◽  
Molecular Simulation ◽  
Mixture Adsorption ◽  
Mcm 41

Single and Binary Mixture Adsorption Behaviors of C6–C8Hydrocarbons on Silica–Alumina Gel

2018 ◽  
Vol 57 (48) ◽  
pp. 16451-16463 ◽  
Author(s):  
Frederik Berg ◽  
Karina Gohlke ◽  
Christoph Pasel ◽  
Michael Luckas ◽  
Tobias Eckardt ◽  
...  
Keyword(s):  
Binary Mixture ◽  
Adsorption Behaviors ◽  
Mixture Adsorption ◽  
Alumina Gel ◽  
Silica Alumina

scholarly journals Statistical mechanics of binary mixture adsorption in metal–organic frameworks in the osmotic ensemble

2018 ◽  
Vol 376 (2115) ◽  
pp. 20170151 ◽  
Author(s):  
Lawrence J. Dunne ◽  
George Manos
Keyword(s):  
Binary Mixture ◽  
Adsorption Isotherms ◽  
Good Description ◽  
Metal Organic Frameworks ◽  
Co Adsorption ◽  
Experimental Parameter ◽  
Separation Processes ◽  
Mixture Adsorption ◽  
Wide Range ◽  
Metal Organic

Although crucial for designing separation processes little is known experimentally about multi-component adsorption isotherms in comparison with pure single components. Very few binary mixture adsorption isotherms are to be found in the literature and information about isotherms over a wide range of gas-phase composition and mechanical pressures and temperature is lacking. Here, we present a quasi-one-dimensional statistical mechanical model of binary mixture adsorption in metal–organic frameworks (MOFs) treated exactly by a transfer matrix method in the osmotic ensemble. The experimental parameter space may be very complex and investigations into multi-component mixture adsorption may be guided by theoretical insights. The approach successfully models breathing structural transitions induced by adsorption giving a good account of the shape of adsorption isotherms of CO 2 and CH 4 adsorption in MIL-53(Al). Binary mixture isotherms and co-adsorption-phase diagrams are also calculated and found to give a good description of the experimental trends in these properties and because of the wide model parameter range which reproduces this behaviour suggests that this is generic to MOFs. Finally, a study is made of the influence of mechanical pressure on the shape of CO 2 and CH 4 adsorption isotherms in MIL-53(Al). Quite modest mechanical pressures can induce significant changes to isotherm shapes in MOFs with implications for binary mixture separation processes. This article is part of the theme issue ‘Modern theoretical chemistry’.

Simulations of Binary Mixture Adsorption of Carbon Dioxide and Methane in Carbon Nanotubes:  Temperature, Pressure, and Pore Size Effects

2007 ◽  
Vol 111 (32) ◽  
pp. 11912-11920 ◽  
Author(s):  
Liangliang Huang ◽  
Luzheng Zhang ◽  
Qing Shao ◽  
Linghong Lu ◽  
Xiaohua Lu ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Carbon Nanotubes ◽  
Binary Mixture ◽  
Pore Size ◽  
Size Effects ◽  
Mixture Adsorption
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