A combined modelling-experimental investigation of the reaction kinetics of carbon-limiting and zero-carbon processes

01 October 2017 → 01 November 2019
Regional and community funding: Special Research Fund
Research disciplines
  • Engineering and technology
    • Computational materials science
    • Metals recycling and valorisation
processes reaction kinetics carbon
Project description

The macroscopic behaviour of a material is determined by the structure of the material on microscopic level (the microstructure). This microstructure and how it evolves are determined by the rate or kinetics of various reactions. During metallurgical production processes, metals can be obtained from metal-oxides by reduction reactions. For this, reductive agents, such as carbon or
cokes are used and the kinetics of the reduction reactions have been investigated.
In search to lower greenhouse gas emissions, other reductive agents are wanted. The kinetics of the reduction reactions with such carbonless or alternative (for example solid plastic waste) have not yet been investigated. The proposed work will do so and the obtained kinetics will be implemented in a model to validate the results.
Modelling is the mathematical description of a certain phenomenon. In practice, the material subject to this phenomenon is fictionally divided in very small volume elements and, in each of these elements, algorithms, which are constructed from the equations that describe this specific phenomenon, are executed. The phase field method is a modelling technique with a lot of
advantages when considering complex microstructures. The kinetic coefficients used in models so far were idealized. The experimental work will help to obtain the kinetic input parameters that will yield simulated microstructures, which can be compared to the experimentally obtained ones, to validate the kinetic coefficients.