Chemical Reaction Kinetics
Mechanism and Pathway Determination
Typically, chemical reaction kinetics are calculated from initial rate studies. One reagent is held at an artificially high concentration so that the concentration is effectively constant, and the kinetic rates are calculated from the change in concentration of another reagent. The majority of the concentration changes are never captured beyond the first few minutes, so the experiment must be repeated multiple times under varying concentrations. If measured offline, the data that is collected can be subject to errors due to sampling and the compound's sensitivity to temperature, oxygen, or atmospheric water vapor. Reaction Progression Kinetics Analysis (RPKA) uses in situ data under synthetically relevant concentrations, and captures information throughout the whole experiment, ensuring that the complete reaction behavior can be accurately described.