scholarly journals Adhesion of surfaces mediated by adsorbed particles: Monte Carlo simulations and a general relationship between adsorption isotherms and effective adhesion energies

Soft Matter ◽  
2012 ◽  
Vol 8 (46) ◽  
pp. 11737 ◽  
Author(s):  
Tillmann Stieger ◽  
Martin Schoen ◽  
Thomas R. Weikl
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Adsorption Isotherms ◽  
General Relationship

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.

Adsorption isotherms of associating chain molecules from Monte Carlo simulations

1995 ◽  
Vol 85 (1) ◽  
pp. 9-21 ◽  
Author(s):  
Erich A. Müller ◽  
Lourdes F. Vega ◽  
Keith E. Gubbins ◽  
Luis F. Rull
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Adsorption Isotherms ◽  
Chain Molecules

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

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