Chemical kinetic modelling of combustion-generated nanoparticles

Chemical kinetic modelling of combustion-generated nanoparticles presented by Nicola Bianco on 2016-07-04 15:00:00
Authors: Nicola Bianco, Amit Bhave, Sebastian Mosbach


Combustion generated nanoparticles include both organic (soot, carbon black, etc.) and inorganic (silica, silicon, titania, etc.) materials. Chemical kinetics modelling for silicon nanoparticles synthesis [1, 2] and soot formation [3] is presented. Computational Modelling Cambridge Ltd. (CMCL Innovations)’s proprietary software kinetics™ is used to model the two use cases. Reactors parameterization (hot–wall and IC engine) and mechanism reduction are also carried out using kinetics™. CMCL’s MoDS (Model Development Suite) is used for model calibration and to perform sensitivity and uncertainty analysis on the model parameters. Kinetic mechanism reduction using DRG and DRG-EP strategies is implemented to the gas-phase pyrolysis of the silicon precursor silane and to the soot formation mechanisms. Particulate phase modelling of soot formation is also presented and includes a detailed high-dimensional population balance sub-model solved using the method of moments. [1] W. Menz, S. Shekar, G. Brownbridge, R. K ö rmer, W. Peukert and M. Kraft, J. Aerosol Sci., Proc. Combust. Inst., 44 (2012) 46÷61. [2] W. Menz and M. Kraft, Combust. Flame, 160 (2013) 947÷958. [3] B. Wang, S. Mosbach, S. Scmutzhard, S. Shuai, Y. Huang and M. Kraft, Applied Energy, 163 (2016) 154÷166.

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