Korablev G.A., Lipanov A.M., Kodolov V.I., Zaikov G.E. The Equilibrium Exchange of Spatial-Energy Interactions
Korablev Grigoriy Andreevich
Doctor of Chemical Sciences, Professor, Head of Department of Physics,
Izhevsk State Agricultural Academy
This email address is being protected from spambots. You need JavaScript enabled to view it.
Studencheskaya St., 11, 426000 Izhevsk, Russian Federation
Lipanov Aleksey Matveevich
Doctor of Technical Sciences, Professor, Academician of RAS,
Institute of Applied Mechanics of Ural Branch of RAS
This email address is being protected from spambots. You need JavaScript enabled to view it.
T. Baramzinoy St., 34, 426067 Izhevsk, Russian Federation
Kodolov Vladimir Ivanovich
Doctor of Chemical Sciences, Professor,
Head of Department of Chemistry and Chemical Technology, Izhevsk State Technical University
This email address is being protected from spambots. You need JavaScript enabled to view it.
Studencheskaya St., 11, 426000 Izhevsk, Russian Federation
Zaikov Gennadiy Efremovich
Doctor of Chemical Sciences, Professor, Head of Department
of Biological and Chemical Physics of Polymers,
Institute of Biochemical Physics named after N.M. Emanuel, RAS
This email address is being protected from spambots. You need JavaScript enabled to view it.
Kosygina St., 4, 119334 Moscow, Russian Federation
Abstract. The establishment of dependencies between the energy parameters of free atoms and the degree of structural interactions in simple and complex systems is one of the strategic objectives of physical chemistry. Classical physics and quantum mechanics are widely used for this purpose, Coulomb interactions and its varieties. So, the electron-conformational interactions in biological systems include the interaction of van der Waals forces, orientation and charge-dipole interactions, and as a special case of exchange-resonance energy transfer.
But many biological and cluster systems are electroneutral in their structural basis. And the equilibrium exchange spatial-energy interactions of Coulomb type is of primary importance for them.
The structural interaction of total electronic densities of the valence orbitals of the respective conformational centers – equilibrium processes of a blend of electron densities due to the overlapping of their wave functions.
In this work, similar equilibrium-exchange processes are evaluated through the idea of spatial-energy parameter to the P option.
On the basis of the modified Lagrange equations for the relative motion of two interacting material points the notion of spatial and energy parameter (P-parameter) is introduced. This parameter is represented by the most important complex characteristics of atomic values. The authors establish the wave properties of P-parameter, give its wave equation having a formal analogy with the equation of Ш-function.
Some correlations of the values of the P-parameter with the functions of Lagrange and Hamilton are received. On the basis of the P-parameter methodology the authors conduct numerous calculations of equilibrium exchange structural interactions (including for nanosystems) and show the applicability of this model to the evaluation of their intensity.
The implementation of this methodology allows simulating physical and chemical processes, based on the energy characteristics of the free atom.
Key words: Lagrange equations, wave functions, spatial-energy parameter, electron density, structural interactions.
The Equilibrium Exchange of Spatial-Energy Interactions by Korablev G.A., Lipanov A.M., Kodolov V.I., Zaikov G.E. is licensed under a Creative Commons Attribution 4.0 International License.
 9_Korablev_i_dr.pdfURL: https://ti.jvolsu.com/index.php/en/component/attachments/download/363 | 767 Downloads |  |