Enabling the statistical calibration of active nitridation of graphite by atomic nitrogen

Abstract

A workflow is presented for using PDE-based models to simulate an experimental setup for inferring properties associated with carbon nitridation. The eventual goal is the statistical calibration of the parameters associated with the active nitridation of graphite carbon; this work is a stepping stone in this direction. Simple catalycity models are used to illustrate the the calibration workflow. This study builds from previous work where it was determined that a one-dimensional model used was inadequate to represent the physical mechanisms at work. The experimental work is briefly recapitulated and the mathematical model used for data reduction is presented. Details of the statistical calibration procedure and all assumptions are discussed. Results of the calibration procedure for the simple catalytic model will be presented and discussed. Extensions underway are highlighted.