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NO-CO-O/sub 2/ heterogenous catalytic surface reaction: a monte carlo study

Technical Report:

Abstract

The effect of NO on the heterogeneous catalytic surface reaction CO-O/sub 2/ and the effect of O/sub 2/ on the CO-NO reaction in studied by the Monte Carlo simulation technique. The overall kinetic behavior of the three component reaction is seen to be dominated by the characteristics of the CO-NO reaction rather than by the CO-O/sub 2/ reaction. The addition of NO at the expense of O/sub 2/ in the CO-O/sub 2/ reaction leads to an enhanced production of both CO/sub 2/ and N/sub 2/. For the NO-CO reaction the addition of O/sub 2/ at the expense of NO decreases the production rates of these two gases. The experimentally observed blocking effect of NO on the CO-O/sub 2/ reaction is not observed in the simulation. For the blocking effect to be realised the un-dissociated NO on the surface plays a crucial role. Our simplified model assumes complete dissociation of NO, consequently the blocking effect is not observed. The effect of the third component (NO or O/sub 2/) on the `critical transition` leading to poisoning of the two component reaction is also studied. 7 figs. (author).
Publication Date:
Jul 01, 1992
Product Type:
Technical Report
Report Number:
PINSTECH/NPD-133
Reference Number:
SCA: 665000; 360602; PA: AIX-25:004823; EDB-94:016300; ERA-19:005819; NTS-94:014806; SN: 93001121387
Resource Relation:
Other Information: PBD: Jul 1992
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; HETEROGENEOUS CATALYSIS; CARBON MONOXIDE; NITROGEN OXIDES; OXYGEN; MONTE CARLO METHOD; COMPUTERIZED SIMULATION; SURFACES; 665000; 360602; PHYSICS OF CONDENSED MATTER; STRUCTURE AND PHASE STUDIES
OSTI ID:
10109986
Research Organizations:
Pakistan Inst. of Nuclear Science and Technology, Islamabad (Pakistan). Nuclear Physics Div.
Country of Origin:
Pakistan
Language:
English
Other Identifying Numbers:
Other: ON: DE94609955; TRN: PK9300038004823
Availability:
OSTI; NTIS (US Sales Only); INIS
Submitting Site:
INIS
Size:
19 p.
Announcement Date:
Jun 30, 2005

Technical Report:

Citation Formats

Khan, K M, Ahmed, N, and Yaldram, K. NO-CO-O/sub 2/ heterogenous catalytic surface reaction: a monte carlo study. Pakistan: N. p., 1992. Web.
Khan, K M, Ahmed, N, & Yaldram, K. NO-CO-O/sub 2/ heterogenous catalytic surface reaction: a monte carlo study. Pakistan.
Khan, K M, Ahmed, N, and Yaldram, K. 1992. "NO-CO-O/sub 2/ heterogenous catalytic surface reaction: a monte carlo study." Pakistan.
@misc{etde_10109986,
title = {NO-CO-O/sub 2/ heterogenous catalytic surface reaction: a monte carlo study}
author = {Khan, K M, Ahmed, N, and Yaldram, K}
abstractNote = {The effect of NO on the heterogeneous catalytic surface reaction CO-O/sub 2/ and the effect of O/sub 2/ on the CO-NO reaction in studied by the Monte Carlo simulation technique. The overall kinetic behavior of the three component reaction is seen to be dominated by the characteristics of the CO-NO reaction rather than by the CO-O/sub 2/ reaction. The addition of NO at the expense of O/sub 2/ in the CO-O/sub 2/ reaction leads to an enhanced production of both CO/sub 2/ and N/sub 2/. For the NO-CO reaction the addition of O/sub 2/ at the expense of NO decreases the production rates of these two gases. The experimentally observed blocking effect of NO on the CO-O/sub 2/ reaction is not observed in the simulation. For the blocking effect to be realised the un-dissociated NO on the surface plays a crucial role. Our simplified model assumes complete dissociation of NO, consequently the blocking effect is not observed. The effect of the third component (NO or O/sub 2/) on the `critical transition` leading to poisoning of the two component reaction is also studied. 7 figs. (author).}
place = {Pakistan}
year = {1992}
month = {Jul}
}