Error Analysis of Absolute Rate Coefficient Extrapolated Under Pseudo-First Order Conditions
Author(s) -
Luca D’Ottone,
Chukunoye Enunuwe Ochonogor
Publication year - 2017
Publication title -
journal of the turkish chemical society section a chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.179
H-Index - 6
ISSN - 2149-0120
DOI - 10.18596/jotcsa.333857
Subject(s) - chemistry , approximation error , first order , constant (computer programming) , reaction rate constant , nitrogen , analytical chemistry (journal) , thermodynamics , statistics , organic chemistry , mathematics , kinetics , physics , quantum mechanics , computer science , programming language
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%.
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