Host Institution: Politecnico di Milano (Italy)
Department of Chemistry, Materials, and Chemical Engineering, Politecnico di Milano
Phone: +39 02 2399 3205
Nowadays we pay more and more attention to the pollutant generation at all burning processes therefore it is important that we can describe and predict these processes well and this way develop our equipments. We would like to be effective therefore spare simulation time as much as possible. Soot generation at natural gas combustion is a very complicated process which could be described in details, though when it comes to combining it with fluid dynamic simulations we would like to get a tool which provides results fast but also preserves accuracy. The simplification of the detailed kinetic scheme will be in the focus of my studies using some already available techniques as CRG, path analysis and PCA to determine the significance of the part reactions, sort out the essential ones. Meanwhile attention will be paid to reduce stiffness of the mechanism by considering quasy-steady-state species and partial equilibrium reactions. The core of my model will be the method of moments and the main goal is to apply it in unsteady, multidimensional simulations.
Project title: Reduction of detailed kinetic mechanism and development of soot models based on Method of Moments (MOM)
Objectives. The main objective is the proper reduction of the detailed kinetic scheme developed combustion and oxidation of natural gas, in order to apply it in unsteady, multi-dimensional simulations of multidimensional systems and/or real industrial devices. The reduction will be performed using different techniques available in the literature (DRG and its variants, path analysis, PCA, etc.), always ensuring an adequate performance in comparison with the detailed model. In additional, attention will be devoted to the derivation of non-stiff reduced mechanisms for numerical simulations requiring explicit integration solvers. The stiffness reduction will be achieved through the identification of quasi-steady- state (QSS) species and partial-equilibrium (PE) reactions. On-the-fly techniques for stiffness removal will be also taken into account and tested.
A specific methodology will be developed and applied with the aim to derive simplified soot kinetic models based on the Method of Moments (MOM), whose key parameters are derived from the detailed kinetic mechanism.
Planned secondment. FR-ECP (8-10 months). Application of Method of Moments for modeling formation of soot in multidimensional simulations of real industrial devices.