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Open Access research which pushes advances in bionanotechnology

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SIPBS is a major research centre in Scotland focusing on 'new medicines', 'better medicines' and 'better use of medicines'. This includes the exploration of nanoparticles and nanomedicines within the wider research agenda of bionanotechnology, in which the tools of nanotechnology are applied to solve biological problems. At SIPBS multidisciplinary approaches are also pursued to improve bioscience understanding of novel therapeutic targets with the aim of developing therapeutic interventions and the investigation, development and manufacture of drug substances and products.

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Modeling of PAHs in low pressure sooting premixed methane flame

El Bakali, A and Mercier, Xavier and Wartel, Maxime and Acevedo, F and Burns, Iain and Gasnot, L and Pauwels, J-F and Desgroux, P. (2012) Modeling of PAHs in low pressure sooting premixed methane flame. Energy, 43 (1). 73–84. ISSN 1873-6785

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Abstract

A detailed chemical kinetic modeling has been developed to investigate aromatic and first polyaromatic hydrocarbons formation pathways in sooting methane premixed flames operating at two equivalence ratios (2.05; 2.32) and various pressures (0.211- 0.263 atm). The model validation is performed by comparing modeled and quantitative experimental profiles of low molecular weight aromatic species ranging from benzene to pyrene. Experiments were carried out using jet-cooled laser-induced fluorescence performed after microprobe sampling. Temperature profiles were obtained using two-line atomic fluorescence (TLAF). The kinetic mechanism proposed in this work is an extension of our previous mechanism validated on a large number of reactive systems including saturated and unsaturated hydrocarbons under very large conditions in terms of pressure and equivalence ratio, but never in conditions producing soot particles. With the new proposed mechanism, it is possible to predict the formation/consumption of the studied PAHs in the reaction zone and in the post flame region where soot particles are produced. This last point is a challenge for the main literature combustion mechanisms. We also identified and discussed here the main reaction pathways responsible for this behavior. It was also shown that the relative importance of reactions determining benzene, naphthalene and pyrene formation may vary considerably from one literature mechanism to another.