Multiscale modeling of carbon deposition: from carbon nanotube whiskers to free radical coke formation Ghent University
In this work, for the first time a first principles based coking model will be developed to describe catalytic and non-catalytic carbon growth valid under typical pyrolysis conditions on transition metal surfaces. This model will be incorporated in a computational fluid dynamics (CFD) code to be able to accurately account for three-dimensional flow phenomena and concentration gradients.