Computer Simulation of Diffusion and Adsorption in Pillared Clays

1994 ◽  
Vol 368 ◽  
Author(s):  
Xiaohua YI ◽  
Muhammad Sahimi ◽  
Katherine S. Shing
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Monte Carlo ◽  
Canonical Ensemble ◽  
Finite Size ◽  
Grand Canonical Ensemble ◽  
Pillared Clays ◽  
Ensemble Monte Carlo ◽  
Dynamics Simulations ◽  
Grand Canonical

ABSTRACTWe developed a model to describe the morphology and energetics of pillared clays. Grand- Canonical Ensemble Monte Carlo and Molecular Dynamics simulations are used to study diffusion and adsorption of finite-size molecules in such systems, and the effect of various factors on these processes is investigated.

The gas-liquid transition for 12-6 argon: a grand ensemble Monte Carlo calculation

1980 ◽  
Vol 33 (4) ◽  
pp. 899
Author(s):  
JE Lane ◽  
TH Spurling
Keyword(s):  
Monte Carlo ◽  
Canonical Ensemble ◽  
Monte Carlo Calculation ◽  
Grand Canonical Ensemble ◽  
Previous Calculation ◽  
Ensemble Monte Carlo ◽  
Monte Carlo Calculations ◽  
Lennard Jones ◽  
Liquid Transition ◽  
Grand Canonical

New grand canonical ensemble Monte Carlo calculations of the gas-liquid transition for a Lennard-Jones 12-6 fluid confirm the validity of the previous calculation by Adams.

Sign in / Sign up

Export Citation Format

Share Document