Determination of nonlinear parameters included in rate equations by Taylor's differential correction method intermolecular transfer of a fluorine atom from UF6 to UF5

摘要

The analysis of experimental data obtained in chemical observation often leads to cumbersome problems in the determination of reaction parameters included nonlinearly in the governing rate equations. When the quantities to be observed are given in explicit functional expressions of these parameters, such a nonlinear regression method as first proposed by Marquard(1)) and recently devoted to selected applications to various experiments by Rusling and Kumosinski(2)) can be used to extract reliable parameters from raw experimental data. However, there are many cases where the rate equations do not have analytical solutions. In this note we discuss a stepwise, iterative approach to the least squares condition for such cases where the observed quantities must be related to their numerical solutions, taking as an example the intermolecular transfer of a fluorine atom from UF6 to UF5. The discussions include also a short review of the previous researches and the possibility of a new rate equation for this reaction.