About this Research Topic
As recently discussed by Curran et al, there are broadly four levels of development that combustion kinetics researchers work in, (i) quantum mechanics and direct kinetic measurements of rate coefficients and reaction intermediates and products, (ii) fuel structure and fundamental chemistry, (iii) CFD studies with reduced chemistry and (iv) design of practical applications. In particular, recent advances in theoretical kinetics, experimental techniques and largely improved computational capabilities enable the development of models of constantly increasing predictive character, paving the way to the closure of the loop between fundamental theories and real-world applications. The goal of this issue is exactly that of showcasing the ongoing research efforts in this direction, motivating interactions between researchers active in the determination of properties at the microscale (e.g. kinetic rate coefficients of single elementary steps, thermodynamic and transport properties of chemical species), mesoscale (e.g. droplets combustion) and those involved in macroscale technological developments for the transport, energy and process industries.
This Research Topic calls for state-of-the-art contributions in the areas like:
• Experimental measurements of rate constants and fundamental properties of combustion (ignition delay times, laminar flame speeds, speciation measurements and pollutant formation, etc.)
• Theoretical kinetics (electronic structure calculations, ab-initio transition state theory-based master equation, etc.) applied to fuels combustion and formation of pollutants
• Fuel models development, including the formulation of appropriate surrogate fuel mixtures and of complex kinetic models
• Chemical mechanisms reduction and simplification techniques
• Applications of detailed and reduced kinetics to mesoscale and large-scale fluid dynamics computation of reacting flows (e.g. droplets, chemical reactors, engines, flames, turbulence/chemistry interactions).
An important part of the research papers submitted to this Research Topic should tackle the influence of the described microscale effects to macroscale phenomena.
Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.