Kinetics of Thermal Soot Oxidation by Molecular Multi-Scale Modeling
Due to more stringent regulations on soot emissions, car manufacturers need more accurate soot models to develop future engines. To further reduce soot emissions, improved insight in the oxidation mechanisms and their kinetics becomes mandatory. In this PhD program a multi-scale molecular modeling approach will be applied. It includes the use of an atomistic reactive force field to generate representative soot particles, and to study the oxidation mechanisms and corresponding kinetics, refined by ab initio methods. The obtained reaction rates will be then used in a kinetic Monte-Carlo program to derive the mean-field kinetic parameters that are intended to be integrated in computational fluid dynamics codes for cleaner engine design.
This thesis is part of the IPPAD project “Effect of 4500 bar injection pressure and supercritical phase change of surrogate and real-world fuels enriched with additives and powering Diesel engines, on soot emissions reduction” funded by the EU-H2020. Download
Mechanical, Maritime and Materials Engineering
The 3mE Faculty trains committed engineering students, PhD candidates and post-doctoral researchers in groundbreaking scientific research in the fields of mechanical, maritime and materials engineering. 3mE is the epitome of a dynamic, innovative faculty, with a European scope that contributes demonstrable economic and social benefits.
Research in the Process and Energy (P&E) Department focuses on process and energy technology within a mechanical engineering context. This means that a process or energy conversion is part of an apparatus. Continuum fluids are the common denominator, either as a process material, carrier, or solvent, or as a medium through which a transport process, separation process, or chemical conversion is carried out. Research covers the range from full equipment scale, down to the molecular scale. Our laboratories have several large-scale experimental facilities that are unique on a world level. Read More
A 3-year PhD studentship funded by the french National Research Agency (ANR) is available in the Institute of Chemistry at University Blaise Pascal in Clermont-Ferrand (France), to work on the molecular simulation of water – amine – carbon dioxide systems.
The third Distinguished Lecture of the European Working Party on Thermodynamics and Transport Properties will be delivered by Professor Cornelis Peters during the 14th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD 2016), which will be held in Porto, Portugal from 22 to 26 May 2016.
He was elected unanimously by the selection Committee who thereby recognizes his 40 years research contributions to the fundamental understanding of phase theory.
Dr Bjørn Maribo-Mogensen, who completed his PhD at the Department of Chemical and Biochemical Engineering, Technical University of Denmark (DTU) under the supervision of Professor Georgios M. Kontogeorgis and Associate Professor Kaj Thomsen, has been named the winner of the 2015 EFCE Excellence Award in Thermodynamics and Transport Properties.
Dr Maribo-Mogensen, now a Physical Property Specialist at Linde Engineering, Munich, Germany, successfully modelled an equation of state for electrolytes with applications in the oil and gas industry as part of his research.
He also developed a deeper understanding of the different models currently used for electrostatic interactions, comparing the Debye–Hückel model with the mean spherical approximation (MSA) theory.
In the long tradition of the European Symposium on Applied Thermodynamics, the ESAT 2015 will bring together researchers from academia and industry from all over the world. Among others, the conference aims to cover new experimental achievements, prediction of thermophysical properties of complex systems,molecular and statistical thermodynamics, molecular modeling and simulation.
I want to bring to your attention that the ECCE board has included explicitly our ‘IUT’ Symposium to the program of ECCE10. This also means that we should make any possible effort to be present and that the most renown members of the thermodynamic community in your country contribute to the program.
At the Business meeting of April 4, Dr Jean-Charles de Hemptinne was elected as new Working Party Chairman, replacing Prof. Ioannis Economou after six and a half years of service. Dr. de Hemptinne is IFP-School Professor and holder of the Tuck foundation chair on “Biofuels Thermodynamics”