The Equilibrium Exchange of Spatial-Energy Interactions

• Published in: Vestnik Volgogradskogo gosudarstvennogo universiteta. Serii͡a︡ 10, Innovat͡s︡ionnai͡a︡ dei͡a︡telʹnostʹ no. 1(16)
• Main Authors: Korablev, Grigoriy Andreevich, Lipanov, Aleksey Matveevich, Kodolov Vladimir Ivanovich, Zaikov Gennadiy Efremovich
• Format: Journal Article
• Language: Russian
• Published: Volgograd Volgograd State University 01.03.2014
• Subjects: Atomic properties; Chemical reactions; Complex systems; Computer simulation; Dipole interactions; Energy; Equilibrium; Euler-Lagrange equation; Exchanging; Organic chemistry; Parameter modification; Physical chemistry; Quantum mechanics; Van der Waals forces; Wave equations; Wave functions
• ISSN: 2305-7815; 2409-2398

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.