Modeling the adsorption of aromatic compounds on the TiO2/SiO2 catalyst

被引：0
作者：
Bartłomiej Szyja
Krzysztof Brodzik
机构：
[1] Wrocław University of Technology,Faculty of Chemistry
来源：
Journal of Molecular Modeling | 2007年 / 13卷
关键词：
Sorption; Grand Canonical Monte Carlo; Titania-silica;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The Grand Canonical Monte Carlo method was used to analyse the phenomenon of adsorption of aromatic compounds (i.e. phenol, toluene, benzoic acid and salicylic acid) on the surface of the titania-silica (TiO2/SiO2) catalyst. We found that different types of interactions play important roles in the adsorption of molecules having polar and non-polar groups. Moreover, we found that the interactions between sorbate molecules are strong, and are the cause of multilayer adsorption occurring in the investigated temperature and pressure range.
引用
收藏
页码：731 / 737
页数：6
相关论文
共 61 条
  • [1] Fujishima A(1972)undefined Nature 238 37-38
  • [2] Honda K(1995)undefined Chem Rev 95 735-758
  • [3] Linsebigler AL(2003)undefined Res Chem Intermed 29 233-256
  • [4] Lu G(1997)undefined Chem Technol Biotechnol 70 117-140
  • [5] Yates JT(2000)undefined J Photochem Photobiol C 1 1-21
  • [6] Moon SC(2001)undefined J Chem Technol Biotechnol 77 102-116
  • [7] Matsumura Y(1998)undefined Appl Cat B 16 19-29
  • [8] Kitano M(2000)undefined Appl Cat B 26 207-215
  • [9] Matsuoka M(1999)undefined J Photochem Photobiol A 122 57-60
  • [10] Anpo M(2001)undefined J Non-Cryst Solids 285 8-12
1234567