Affiliation:
1. King Mongkut's University of Technology North Bangkok
Abstract
Computer simulation techniques have gained many attentions. The objective of this research was to study influence of the exchangeable cations of Group 1A (Li+, Na+, K+, Rb+, Cs+) on the CO2 adsorption in the system using Grand Canonical Monte Carlo (GCMC) simulation. In this simulation, zeolite is a simulation box. The interaction potential simulation with Lennnard-Jones potential showed that Li+ and CO2 had the greatest molecular attraction with Li+ having the highest number of CO2 molecules in the simulation box. The number of CO2/molecules in the simulation box are as followed with Li+ > Na+ > K+ > Rb+ > Cs+.
Publisher
Trans Tech Publications, Ltd.
Subject
Mechanical Engineering,Mechanics of Materials,General Materials Science