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A Priori Calibration of Transient Kinetics Data via Machine Learning
As such, the proposed methodology demonstrates clear benefits over the traditional preprocessing in the calibration of the inert and feed mixture products without need of prior calibration experiments or heuristic input from the user.
Data Driven Reaction Mechanism Estimation via Transient Kinetics and Machine Learning
As such, this work details a methodology based on the combination of transient rate/concentration dependencies and machine learning to measure the number of active sites, the individual rate constants, and gain insight into the mechanism under a complex set of elementary steps.
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