Paper Title:
Adsorption of Hydrogen Sulfide, Carbondioxide and Methane by Zeolite (Ferrierite; H-FER): Computational Chemistry Method
  Abstract

The adsorption of hydrogen sulfide (H2S), carbondioxide (CO2) and methane (CH4) on H-FER zeolite was investigated under computational chemistry using ONIOM (HF/6-31G (d,p):UFF) and ONIOM (B3LYP/6-31G (d,p):UFF) method. Compared to the H-FER zeolite induces much stronger binding of H2S, CO2 and CH4 suggesting great enhancements in the adsorption selectivity. The order of binding energies of adsorbed molecules is H2S > CO2 > CH4. It was found that the extended zeolitic framework covering the nanocavity was essential for describing the confinement effect of the zeolite. The results of these calculations show that the zeolite can be used to adsorb H2S bester then CO2 and CH4. Carbondioxide and hydrogen sulfide are pollutant in biogas product from anaerobic digestion of biodegradable materials. There for, zeolite can be use to purified gas before using as fuel.

  Info
Periodical
Advanced Materials Research (Volumes 356-360)
Chapter
Chapter 4: Environmental Planning and Assessment
Edited by
Hexing Li, Qunjie Xu and Daquan Zhang
Pages
707-711
DOI
10.4028/www.scientific.net/AMR.356-360.707
Citation
N. Suthanyawatchai, U. Onthong, "Adsorption of Hydrogen Sulfide, Carbondioxide and Methane by Zeolite (Ferrierite; H-FER): Computational Chemistry Method", Advanced Materials Research, Vols. 356-360, pp. 707-711, 2012
Online since
October 2011
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Ping Tang, Xiong Yang, Ying Shu Liu
Abstract:Five types of active carbon’s adsorption isotherm of nitrogen at 77K were measured, and their adsorption characteristic were analysed. The...
586
Authors: Wei Zhao, Qing Yuan Meng
Chapter 7: Physics and Chemistry Materials and Technology
Abstract:The adsorption of methane (CH4) molecule on the pristine and Al-doped (4, 8) graphene was investigated via the first-principles...
870