Chemical Kinetics: A CS Perspective

Chemical kinetics has played a critical role in understanding phenomena such as global climate change and photochemical smog, and researchers use it to analyze chemical reactors and alternative fuels. When computing is applied to the development of detailed chemical kinetic models, it allows scientists to predict the behavior of these complex chemical systems. This overview discusses algorithmic techniques for mechanism generation, consistency and completeness verification, and mechanism reduction, as well as ongoing research trends.