ELECTRICAL ChARGES AS CATALySTS OF ChEMICAL REACTIONS ON A SOLID SuRFACE

Purpose. To determine the change dependency of the potential energy of the chemical bond of a diatomic molecule on the value of the point charge and its distance to the bond using quantum mechanical calculation. Methodology. Numerical simulation of a quantum mechanical system consisting of a point charge and a diatomic molecule interacting with each other. Findings. The quantum-mechanical problem of the effect of an external Coulomb center on the chemical bond of diatomic molecules is solved. Originality. A quantum mechanical model of a physical system consisting of three interacting Coulomb centers (there is a chemical bond between two of them) is developed. The model makes it possible to understand the dynamics of the interaction of a molecule with an ion, the charge of which can be characterized by either integers or fractional numbers. The change in the energy of the chemical bond in the ion field depending on the distance to the bond and the magnitude of the charge is established. Practical value. The developed technique for calculating the energy of a chemical bond as a function of the magnitude of the electric charge was used in the development of the method for growing single crystals of metastable diamond, in calculating the limits of the chemical bond stability in metal azides, in developing the way of additional harmful gases formation during rock blasting and in calculating the stability of nanoscale hydrocarbon chains in coal, and others. The method can be used to decide on the catalyst and control the catalytic reactions

MECHANISM OF THICK METAL WALLS PENETRATION BY HIGH-SPEED MICROPARTICLES

Purpose. Analysis and estimation of physical parameters which create conditions for microparticles penetration into metal microstructure to abnormally big depth. Methodology. Quantum mechanical three­site model has been used for studying the regularities of electron motion in the field of two Coulomb centres and numerical solution for the problem of the effect of external electrical charge on stability of the chemical bond. Solution was found for the equation of heat conductivity for estimating the temperature of microparticles heating under compression and acceleration by explosively driven accelerator. Stokes’s law was used for estimating viscosity of hypothetical medium which can be penetrated by microparticle at a great speed and to a great depth. The research was done with the help of X­ray microanalysis, X­ray crystallography, micrographic investigation, mass­spectrometry and electronic spectroscopy. Findings. Solution of the quantum mechanical model testifies that electric charges serve as catalysts responsible for the significant reduction of the energy barrier of chemical reactions. To ensure super deep penetration, it is necessary to achieve acceleration of a great number of microparticles in a special explosively driven accelerator. Heating, intensive stirring and friction result in electrification of the surface of the particles, which is known as triboelectric effect. The hypothesis about physical and chemical mechanism of particles penetration into metals resulting from high­speed impact has been put forward. Originality. The research has established relationship between the sizes of microparticles accelerated by explosion and the density of electric charges on their surfaces, as well as the depth of their penetration into the metal barrier. By experimental research, it was proven that maximum depth of microparticles penetration is directly proportional to the maximum density of surface charges for the particles of the 50…80 µm size. It is assumed that particles penetration into metals to greater depths is conditioned by the reduction of the barrier material viscosity in the zone of particle­barrier contact due to quantum mechanical effects in the solid­state plasma. Practical value. The value of the work includes creating a new generation of metal composites as well as new prospective technologies of reactive materials utilization