Effect of Precursor Mechanism on CO--NO Catalytic Reaction on Body-Centred Cubic Structure: Monte Carlo Simulation
A. U. Qaisrani1 , M. Khalid1 , M. K. Khan2
1 Department of Physics, Gomal University, Dera Ismail Khan, Pakistan
2 Department of Physics, Quaid-i-Azam University, Islamabad, Pakistan
Effect of Precursor Mechanism on CO--NO Catalytic Reaction on Body-Centred Cubic Structure: Monte Carlo Simulation
A. U. Qaisrani1 ;M. Khalid1 ;M. K. Khan2
1 Department of Physics, Gomal University, Dera Ismail Khan, Pakistan
2 Department of Physics, Quaid-i-Azam University, Islamabad, Pakistan
关键词 ：
82.65.+r ,
83.10.Rs ,
87.15.Aa ,
02.70.Uu
Abstract ： The CO--NO catalytic reaction on body-centred cubic (bcc) lattice is studied by Monte Carlo simulation. The simple Langmuir--Hinshelwood (LH) mechanism yields a steady reactive window, which is separated by continuous and discontinuous irreversible phase transitions. The effect of precursor mechanism on the phase diagram of the system is also studied. According to this mechanism, the precursor motion of CO molecules is considered only on the surface of bcc lattice. Some interesting observations are reported.
Key words ：
82.65.+r
83.10.Rs
87.15.Aa
02.70.Uu
出版日期: 2005-09-01
:
82.65.+r
(Surface and interface chemistry; heterogeneous catalysis at surfaces)
83.10.Rs
(Computer simulation of molecular and particle dynamics)
87.15.Aa
02.70.Uu
(Applications of Monte Carlo methods)
引用本文:
A. U. Qaisrani;M. Khalid;M. K. Khan. Effect of Precursor Mechanism on CO--NO Catalytic Reaction on Body-Centred Cubic Structure: Monte Carlo Simulation[J]. 中国物理快报, 2005, 22(9): 2422-2425.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2005/V22/I9/2422
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