NanoDome

Chemical kinetic modelling of combustion-generated nanoparticles

Reference
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




Abstract

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.




Affiliations
Computational Modelling Cambridge Ltd.
Sheraton House
Castle Park
CB3 0AX
Cambridge
United Kingdom



Department of Chemical Engineering and Biotechnology, University of Cambridge
West Cambridge Site
Philippa Fawcett Drive
CB3 0AS
Cambridge
United Kingdom