AbstractThis work 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 mainly focuses on the following two areas. Firstly, a new molecular dynamics (MD) algorithm for the simulation of complex hydrocarbon molecules, with emphasis on the evaporation/condensation process of liquid n-dodecane (C12H26), which is used as an approximation for Diesel fuel, has been developed. The analysis of n-dodecane molecules has been reduced to the analysis of simpli�ed molecules, consisting of pseudoatoms, each representing the methyl (CH3) or methylene (CH2) groups. This analysis allows us to understand the underlying physics of the evaporation/condensation process of n-dodecane molecules and to estimate the values of its evaporation/condensation coef- �cients for a wide range of temperatures related to Diesel engines. Nobody, to the best of our knowledge, has considered MD simulation of molecules at this level of complexity.
|Date of Award||Feb 2013|
Development of a new kinetic model for the analysis of heating and evaporation processes in complex hydrocarbon fuel droplets
Xie, J. (Author). Feb 2013
Student thesis: Doctoral Thesis