複合和金屬燃料燃燒的複雜電漿內生成分子團及奈米微粒之研究

Abstract

The project does address the mechanisms of formation of cluster and nanoparticles in plasma produced during combustion of both metallized and composite fuels, i.e. fuels consisting of hydrocarbons with admixture of metallic particles. It also does address the ways of controlling the processes of nanoparticles formation in these systems. Numerical and experimental investigations of dynamics of cluster and particle formation during combustion of Al-O2-N2, Al-H2O, Al-CO2, Al-CH4-O2-N2, Zn-O2-N2 and Zn-H2O systems will be conducted. Potential energy surfaces of the reactions of Al2O3 monomer clusterization as well as the structures, electronic energies and thermodynamic properties of both stoichiometric and non-stoichiometric clusters of aluminum oxide and clusters of other compounds (with C, N and Al elements) will be investigated by using quantum chemistry methods. Obtained data will be utilized to build a novel nonequilibrium model of (Al2O3)n cluster and liquid particle formation, which consider the processes of clusterization and coagulation of stoichiometric (Al2O3)n, n=1,…10 clusters and particles on the basis of unified kinetic approach. Numerical modeling of processes of ion and electron formation during combustion of Zn-O2-N2, Al-O2-N2, Al-H2O and Al-CH4-O2-N2 mixtures at various initial parameters and mixture compositions will be performed. The ions will be determined, on which clusterization of Al2O3, AlO, aluminum carbide and aluminum nitride in combustion products of Al-CH4-O2-N2 mixture, and zinc oxide in the products of Zn-O2-N2 and Zn-H2O systems oxidation is possible. Also, a new model of unsteady ion-induced nucleation and formation of polydisperse ensemble of charged and neutral clusters and particles in plasma produced during combustion of Al-O2-N2, Al-H2O, Al-CO2 and Al-CH4-O2-N2 systems will be developed. Experimental and numerical studies of size distribution function of aluminum oxide and zinc oxide nanoparticles during combustion of a composite and metallized fuels as well in air as Al-H2O and Zn-H2O systems will be performed. Numerical analysis of the possibility of intensifying the formation of Al oxide nanoparticles and nanoparticles of complex composition in Al-H2O, Al-CO2 and Al-CH4-O2-N2 systems by artificial formation of ions, which stimulate the clusterization processes, will be performed.