témavezető: Nagy Tibor
helyszín (magyar oldal): Természettudományi Kutatóközpont helyszín rövidítés: ELKH
A kutatási téma leírása:
"The detailed reaction kinetic mechanisms developed for the combustion of natural gas, fractions of petroleum and biofuels contain several hundreds or thousands of species and reaction steps. However, the simulation of spatially inhomogeneous systems, such as internal combustion engines and burners of gas turbines, is infeasible with kinetic models containing more than a few dozens of species. Thus, it is necessary to greatly reduce the size of the detailed model by eliminating redundant species and reactions. Furthermore, in order to improve the accuracy of the reduced model, it is worth reoptimizing its influential Arrhenius parameters of by fitting the simulations results to experimental data. The aim of the proposed computational research is to develop small and accurate, class-leading combustion kinetic models by combined application of highly efficient model reduction [1] and model optimization [2] techniques. The applicant can also get involved in the development of even more efficient methods.
References
1. Reduction of very large reaction mechanisms using methods based on simulation error minimization, T Nagy, T Turányi, Combustion and Flame 156 (2), 417-428, 2009.
2. Determination of rate parameters based on both direct and indirect measurements, T Turányi, T Nagy et al., International Journal of ChemicalKinetics 44 (5), 284-302, 2012."
előírt nyelvtudás: angol további elvárások: Good knowledge of thermodynamics and programing experience in Python or Fortran or C++.
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