• 文献标题:   Co-adsorptions of CO/N2O, NO/NH3, CO2/N-2 and conversion of CO/N2O to CO2/N-2 on ZnO graphene-like nanosheet
  • 文献类型:   Article
  • 作  者:   KAEWRUKSA B, WANBAYOR R, RUANGPORNVISUTI V
  • 作者关键词:   adsorption reaction energie, co, co2, n2o, n2, no nh3 gase
  • 出版物名称:   JOURNAL OF MOLECULAR STRUCTURE
  • ISSN:   0022-2860 EI 1872-8014
  • 通讯作者地址:   Chulalongkorn Univ
  • 被引频次:   5
  • DOI:   10.1016/j.molstruc.2011.12.039
  • 出版年:   2012

▎ 摘  要

Adsorption energies of CO, CO2, N2O, N-2, NO, NH3 and CO/N2O, NO/NH3 and CO2/N-2 co-adsorptions on the ZnO graphene-like nanosheet (ZnOGLNS) were obtained using DFT calculations. The energies and thermodynamic properties for conversion of CO + N2O to CO2 + N-2 over the ZnOGLNS, its equilibrium constant and adsorption coefficients are reported. The activation energy for the conversion reaction of CO + N2O to CO2 + N-2 over the ZnOGLNS of 42.30 kcal/mol was obtained. The CO + N2O to CO2 + N-2 conversion over the ZnOGLNS is the energetically and thermodynamically preferred reaction. (C) 2012 Elsevier B.V. All rights reserved.