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CO–NO CATALYTIC SURFACE REACTION ON BODY-CENTERED CUBIC STRUCTURE: MONTE CARLO STUDY

M. KHALID

Department of Physics, Gomal University, Dera Ismail Khan, Pakistan

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A. U. QAISRANI

Department of Physics, Gomal University, Dera Ismail Khan, Pakistan

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M. K. KHAN

Department of Physics, Quaid-i-Azam University, Islamabad, Pakistan

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https://doi.org/10.1142/S012918310500790XCited by:0 (Source: Crossref)

Abstract

A Monte Carlo Simulation study of the monomer dimer (CO–NO) heterogeneous catalytic reaction on body-centered cubic structure (BCC) is presented. The effect of Eley–Rideal (ER), diffusion of nitrogen and carbon monoxide on the phase diagram is investigated. The steady reactive state is observed while using Langmuir–Hinsehelwood (LH) mechanism. Whenever the ER mechanism is included in our simulation, the production of CO₂ starts as soon as y_CO departs from zero, which is consistent with the experimental results. The ER mechanism does not affect the production of N₂. The effect of diffusion of CO and N are found very little on the steady state reactive region where the concentration of CO is very high.

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