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Project
Multi-scale modeling of plasma catalysis/
This project aims to obtain more insight in the fundamental processes of plasma catalysis by multi-scale modeling. The plasma chemistry in a CH4/CO2 mixture will be described by a 0D model, and inserted in a 3D macro-scale model of a packed bed reactor. The plasma behavior near/in catalyst pores will be modelled on a micro-scale. Finally, the plasma-catalyst interactions on the atomic scale will be modeled by classical MD and DFT simulations.
Date:1 Jan 2016 → 31 Dec 2019
Keywords:MOLECULAR DYNAMICS, PLASMA CHEMISTRY, PLASMA CATALYSIS, COMPUTER MODELING
Disciplines:Applied mathematics in specific fields, Classical physics, Physics of gases, plasmas and electric discharges, Physical chemistry