Detailed Modeling and Simulation of Thermodynamically Non-Ideal, Laminar and Turbulent Spray Combustion of Multicomponent Liquids

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The essential goals of the present research project are:(i) development of a general set of stochastic governing equations for spray combustion, building from the most basic physical physical principles for continuum flow, for multicomponent liquid fuels, for real (non-ideal) thermodynamic conditions, including detailed gasphase chemistry,and(ii) casting the theoretical formulation into a most efficient, 3-dimensional Monte-Carlo Computer code.No matter if the reactive spray-twophase flow is laminar are turbulent: the most general prossible, contintinuum mechanical governing equations that still can be numerically and computationally realized, are based on a stochastic formulation. Such a formulation is the focus of the proposed research, because it has the capability of providing a base for later, deeper going research activities. Since in the context of fluidmechanical applications of spray combustion the thermodynamics of real (non-ideal) mixture of liquids and gases is vastly scientifically unexplored, as are real molecular transport processes, it is planned to focus attention on these aspects of the formulation.A theoretical formulation of spray combustion as described above, and its respecive numerical realization, is predestined as a base for the investigation of pollutant formation (such as NOx, SOx, soot, etc), and hence needs to be capable to cope with detailed mechanisms of elementary reactions. The detailed investigation of pollutant formation in reactive spray two phase systems is not part of the proposed research, but still the theoretical and computational approach to be developed in this project should lay the foundation for later, profound research in the area of pollutant chemistry.For industrial purposes, where problems need to be solved with a minimum of time and computer resources, commercial computer codes are available that can also be used for the computation of sprays and spray flames. Due to the special target group of the commercial codes, these codes employ relatively simple physico-chemical models that -- with the exception of relatively simply benchmark applications -- cannot reasonably be used to seriously support high-quality, theoretical, fluidmechanically orientated, combustion research. Therefore, in the proposed research project, for the numerical realization of the mathematical model of spray combustion to be developed, development of a powerful, 3-dimesional Monte-Carlo method will be initialized.