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Reference Number EP/H001603/1
Title Development of a new quantitative kinetic model for the analysis of heating and evaporation processes in complex hydrocarbon fuel droplets
Status Completed
Energy Categories FOSSIL FUELS: OIL, GAS and COAL(Oil and Gas, Oil and gas combustion) 100%;
Research Types Basic and strategic applied research 100%
Science and Technology Fields PHYSICAL SCIENCES AND MATHEMATICS (Physics) 100%
UKERC Cross Cutting Characterisation Not Cross-cutting 100%
Principal Investigator Professor S Sazhin
No email address given
Sch of Engineering
University of Brighton
Award Type Standard
Funding Source EPSRC
Start Date 12 April 2010
End Date 11 July 2013
Duration 39 months
Total Grant Value £141,550
Industrial Sectors Energy
Region South East
Programme Energy : Engineering
Investigators Principal Investigator Professor S Sazhin , Sch of Engineering, University of Brighton (99.999%)
  Other Investigator Professor M Heikal , Sch of Engineering, University of Brighton (0.001%)
  Industrial Collaborator Project Contact , Ricardo Consulting Engineers Ltd (0.000%)
Project Contact , Research Partner in China (0.000%)
Web Site
Abstract This proposal is concerned with the development of a new quantitative kinetic model for the analysis of hydrocarbon fuel droplet heating and evaporation, suitable for practical engineering applications. The work on the project will be mainly focused on the following two areas. Firstly, a new molecular dynamics algorithm for the simulation of complex hydrocarbon molecules, with particular focus on the evaporation process of liquid n-dodecane (C_12H_26), which is used as an approximation for Diesel fuel, will be developed. The complexity of the n-dodecane molecules will be reduced based on the consideration of a number of psuedoatoms, each representing the methyl (CH_3) or methylene (CH_2) groups. This research will allow us to understand the underlying physics of the evaporation process of these molecules and to estimate the values of the evaporation/ condensation coefficient of n-dodecane in a wide range of temperatures relevant to Diesel engines. Secondly, a newnumerical algorithm for the solution of the Boltzmann equation, taking into account inelastic collisions between complex molecules, will be developed. In this algorithm, additional dimensions referring to inelastic collisions will be taken into account alongside three other dimensions describing the translational motion of molecules as a whole. The conservation of the total energy before and after collisions will be taken into account. A discrete number of combinations of the values of energy corresponding to the components of translational motions and internal motions of molecules after collisions will be allowed and the probabilities of the realisation of these combinations will be equal. The results will be applied to the kinetic modelling of the evaporation process of n-dodecane droplets in Diesel engine-like conditions. This will be a collaborative project between Dr Bing-Yang Cao (Tsinghua University, Beijing, P.R. China), whose expertise includes the development of numerical algorithms for molecular dynamics simulation, Dr Irina Shishkova (Moscow Power Engineering Institute, Russia), whose expertise is focused on the development of numerical codes for the solution of the Boltzmann equation, the PI, Professor Sergei Sazhin, whose expertise includes the development of new physical models of fuel droplet heating and evaporation with a view of applications to modelling the processes in internal combustion engines, Professor Morgan Heikal, the co-investigator of theproject, who will advise the project members on the relevance of the models to automotive applications, and a research student, who will be trained in new research methods, not widely known and/or used in the UK. This project will build upon previously funded EPSRC projects EP/C527089/1 and EP/E02243X/1, and the Royal Society Joint project with Russia, supporting the collaboration between the PI and Dr I. Shishkova
Publications (none)
Final Report (none)
Added to Database 02/11/09