Year: 2019
Type: preprint
Abstract: The goal of the paper is to automatize the selection of mechanisms which are able to describe a set of measurements. In order to do so first we construct a set of possible mechanism fulfilling chemically reasonable requirements with a given number of species and reaction steps. Then we try to fit all the mechanisms, and offer the best fitting one to the chemist for further analysis. The method can also be used to a kind of lumping: to reproduce the results of a big mechanism using a smaller one, with less number of species. We show two applications: one on an artificial example and another one on a small real life data.
Source: arXiv (Cornell University)
Authors: Nagy, Tibor, Tóth, János, Ladics, Tamás
Language: English
Subfield: Fluid Flow and Transfer Processes
Field: Chemical Engineering
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2931470958