Error Analysis of Absolute Rate Coefficient Extrapolated Under Pseudo-First Order Conditions

Year 2018, Volume: 5 Issue: 1, 29 - 40, 01.09.2017

Luca Dottone , Enunuwe Ochonogor

https://doi.org/10.18596/jotcsa.333857

Abstract

Computer
based simulations for the three-body recombination reaction of nitrogen (II) oxide
with the hydroxyl radical have been used to estimate the error associated with
the pseudo-first orderapproximation
under different simulated conditions. For the absolute rate coefficients
calculated by dividing the pseudo-first
order constant by the concentration of the reactant in excess, the analysis of
the relative error associated with working under pseudo-first order conditions shows that for a reactiants’ ratio
higher than 10, the relative error is less than 5%.

Keywords

Pseudo-first order conditions, absolute rate coefficient, computer simulations

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