To develop basic theory of quantum dynamics of elementary chemical act, stimulated by the presence of an electric charge on the solid surface

Project author: National Mining University, Department of Construction, Geotechnics and Geomechanics, Dnepropetrovsk (Ukraine).

Project objective. To develop a quantum-mechanical method for calculating the stability of matter based on the solution of the problem of motion of an electron in the field of two Coulomb centers with the influence of the Coulomb center on the third bond. To establish patterns of change in the state of stability of chemical bonds of the molecules in the field of a point electric charge, to test the theory by the example of real physical systems, to recommend the most relevant practical applications.

Project background. In the project formulated the following models:

• Model the crystallization medium and mineralogical model (built on the experimental results of solid-phase epitaxy of diamond obtained in "NMU");

• Statistical model (as a source of components selected gas, consisting of the CO molecules. Quasi-closed system, i.e. gas exchanges molecules with the environment, without violating thermodynamic equilibrium);

• A physical model (on the surface of solid phase the ions of different valences with a specific density are located. The surface density of the ion is retained in the solid phase growth. The surface density of the ion is retained in the solid phase growth. It is assumed that a portion of the gas molecules gets in the ion field and on some space from the ion the chemical bonds are broken).

Further it is developed the quantum mechanical model of the dynamics of elementary chemical reactions which take place on the surface of the solid phase. Model does not provide for any other interactions, and only gives an opportunity to understand the dynamics of the interaction of a molecule with one specific ion valence (point charge). Basic theoretical difficulty will be the solution of the problem of the behavior of a diatomic molecule in the third Coulomb center.

Research can be used in areas of disposal of greenhouse gases; receipt and use of atomic carbon; disposal of radioactive materials. Hydrogen Energy. Processes of energy generation plant cells. Mineralogy. Production of large diamonds. Design of new compounds and structures in nanotechnology.

Research results are not fundamentally different from the results of a Nobel Laureate in Chemistry (2009) Professor Ertl. Yet more promising is being represented the quantum mechanical approach that we are developing because it takes into account the presence of surface charges - additional energy sources, help reveal the physical essence of the mechanism of interaction of the charge with chemical bonds and their crucial role in the catalytic reactions.