2009/12/08 by Christopher G. Jesudason, Jesudason, Christopher G.
Chemistry · Physics and Astronomy · #Analytical Chemistry and Chromatography #Chemical Physics (physics.chem-ph) #Chemical Thermodynamics and Molecular Structure #Data Analysis #FOS: Physical sciences #Statistics and Probability (physics.data-an) #physics.chem-ph #physics.data-an #thermodynamics and calorimetric analyses
paper · pdf · doi:10.48550/arxiv.0912.1410
This work was submitted to the RAMSA [International Conference on Recent Advances in Mathematical Sciences and Applications] 2009 Conference Proceedings on 1 December, 2009 to be held in Visakhpatnam, India, 19-22/Dec/09
arxiv created 2009/12/08 · openalex publication_date 2009/12/08 · arxiv updated 2010/01/07 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
For some centuries, first order chemical rate constants were determined mainly by a linear logarithmic plot of reagent concentration terms against time where the initial concentration was required, which is experimentally often a challenging task to derive accurate estimates. By definition, the rate constant was deemed to be invariant and the kinetic equations were developed with this assumption. A reason for these developments was the ease in which linear graphs could be plotted. Here, different methods are discussed that does not require exact knowledge of initial concentrations and which require elementary nonlinear analysis and the ensuing results are compared with those derived from the standard methodology from an actual chemical reaction, with its experimental determination of the initial concentration with a degree of uncertain. We verify experimentally our previous theoretical conclusion based on simulation data [ J. Math . Chem \bf 43 (2008) 976--1023, arXiv:physics/0608073] that the so called rate constant is never constant even for elementary reactions and that all the rate laws and experimental determinations to date are actually averaged quantities over the reaction pathway. We conclude that nonlinear methods in conjunction with experiments could in the future play a crucial role in extracting information of various kinetic parameters.