Nitrogen adsorption on nanoporous zeolites studied by Grand Canonical Monte Carlo simulation
M Rahmati, H Modarress - Journal of Molecular Structure: THEOCHEM, 2009 - Elsevier
Grand Canonical Monte Carlo simulation is used to study adsorption of nitrogen on new type
of zeolites such as IHW, IWV, SIV, UFI, and MSE at temperature range 273–325K and
pressures up to 50bars. The optimum parameters of Lennard–Jones potential are evaluated
and their effects on the simulation results are examined. Besides, the effects of temperature,
pressure, framework density (FD) and oxygen density in unit cell on the adsorption
isotherms are investigated. Although, the adsorption of nitrogen is a complex function of …
of zeolites such as IHW, IWV, SIV, UFI, and MSE at temperature range 273–325K and
pressures up to 50bars. The optimum parameters of Lennard–Jones potential are evaluated
and their effects on the simulation results are examined. Besides, the effects of temperature,
pressure, framework density (FD) and oxygen density in unit cell on the adsorption
isotherms are investigated. Although, the adsorption of nitrogen is a complex function of …
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