Monte Carlo Simulations of Water Adsorption Isotherms in Silicalite and Dealuminated Zeolite Y

2005 ◽  
Vol 1 (3) ◽  
pp. 453-458 ◽  
Author(s):  
Matthieu Fleys ◽  
Robert W. Thompson
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Adsorption Isotherms ◽  
Water Adsorption ◽  
Zeolite Y

Modelling water adsorption on Au(210) surfaces: II. Monte Carlo simulations

2008 ◽  
Vol 612 (2) ◽  
pp. 179-185 ◽  
Author(s):  
Rodrigo S. Neves ◽  
Artur J. Motheo ◽  
Rui P.S. Fartaria ◽  
Fernando M.S. Silva Fernandes
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Water Adsorption

Water adsorption in hydrophobic nanopores: Monte Carlo simulations of water in silicalite

2006 ◽  
Vol 90 (1-3) ◽  
pp. 293-298 ◽  
Author(s):  
Chen E. Ramachandran ◽  
Shaji Chempath ◽  
Linda J. Broadbelt ◽  
Randall Q. Snurr
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Water Adsorption

Grand Canonical Monte Carlo Simulations of Olefins Adsorption in Zeolite ZSM-5

2012 ◽  
Vol 550-553 ◽  
pp. 321-324
Author(s):  
Xue Ding ◽  
Fu Yu Liu ◽  
Chao He Yang
Keyword(s):  
Monte Carlo ◽  
Low Temperature ◽  
Monte Carlo Simulations ◽  
Adsorption Isotherms ◽  
Molecular Adsorption ◽  
Grand Canonical Monte Carlo ◽  
Preferential Adsorption ◽  
Adsorption Behaviors ◽  
Gcmc Simulations ◽  
Grand Canonical

The adsorption behavior of ethylene and propylene in zeolite ZSM-5 was studied by Grand Canonical Monte Carlo (GCMC) simulations. It is found that ethylene and propylene molecules show different adsorption behaviors in the zeolite cavum. The adsorption isotherms of ethylene and propylene in ZSM-5 at 298K and 823K were simulated. The results exhibit that the molecular adsorption is influenced at various temperatures and pressures, leading to different rules for the adsorption of ethylene and propylene molecules in zeolite. At low temperature, when the pressure is enhanced from 100kpa to 1000 kpa, the adsorption amounts of olefin molecule increase obviously and the loading of ethylene are significantly larger than those of propylene. The adsorption of propylene has a preferential adsorption site in cross position, and nearly reaches saturation at pressure higher than 300kPa. While at 823K the adsorption of ethylene is inhibited with lower loading than those of propylene.

Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

2010 ◽  
Vol 133 (14) ◽  
pp. 144702 ◽  
Author(s):  
György Hantal ◽  
Sylvain Picaud ◽  
Paul N. M. Hoang ◽  
Vladimir P. Voloshin ◽  
Nikolai N. Medvedev ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Adsorption Isotherms ◽  
Water Adsorption ◽  
Grand Canonical Monte Carlo ◽  
Carbonaceous Particles ◽  
Grand Canonical
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