Simplified Step-by-Step Nonlinear Static Program Investigating Equilibrium Conditions of Electrons in Atom and Ionization Energies: Case Study on Argon

作     者：Panagis G. Papadopoulos Christopher G. Koutitas Yannis N. Dimitropoulos Elias C. Aifantis 

作者机构：Structural Engineering Division Civil Engineering Department Aristotle University of Thessaloniki Thessaloniki Greece Fluid Mechanics Division Civil Engineering Department Aristotle University of Thessaloniki Thessaloniki Greece Physical Chemistry Division Chemistry Department University of Ioannina Ioannina Greece Aristotle University of Thessaloniki Thessaloniki Greece Michigan Technological University Houghton MI USA Beijing University of Civil Engineering and Architecture Beijing China ITMO University St. Petersburg Russia Togliatti State University Togliatti Russia 

出 版 物：《Open Journal of Physical Chemistry》 (物理化学期刊（英文）)

年 卷 期：2018年第8卷第2期

页      面：33-56页

学科分类：1002[医学-临床医学] 100214[医学-肿瘤学] 10[医学] 

主　　题：Ionization Energy Electrostatic Laws Lennard-Jones Curve Incremental Nonlinear Static Analysis Atomic Radius Rhombic Dodecahedron Regular Polyhedron 

摘      要：For investigation of equilibrium conditions of electrons in an atom, and Ionization Energies of Elements, a simplified deterministic static model is proposed. The electrons are initially uniformly and sparsely arranged on the outer surface of nucleus. Then, by taking into account the nucleus-electron interaction (attractive and repulsive) and the mutual electron-electron repulsions, and by a simple step-by-step nonlinear static analysis program, all the electrons are found to equilibrate on the outer surface of the same sphere, which is concentric and larger than nucleus. In a second stage, starting from an equilibrium sphere of electrons, one of the electrons is subjected to gradual forced removal, radially and outwards with respect to nucleus. Within each removal step, the produced work increment is determined and the increments are summed. When no more significant attraction is exerted by nucleus to removed electron, the total work gives the Ionization Energy. After removing of single electron, the remaining electrons fall on a lower shell, that is, they equilibrate on the outer surface of a smaller concentric sphere. For nucleus-electron interaction, an L-J (Lennard-Jones) type curve, attractive and repulsive, is adopted. When the parameter of this curve is n 1.0, the Ionization Energy exhibits an upper bound. As parameter n increases from 1.0 up to 2.0, the attractive potential of L-J curve is gradually weakened. The proposed model is applied on Argon. It is observed that, as the number of electrons increases, the radius of equilibrium sphere increases, too, whereas the attractive nucleus-electron potential is reduced;thus the Ionization Energy is reduced, too. Particularly, as the number of electrons and the radius of equilibrium sphere exceed some critical values, the above two last quantities exhibit abrupt falls. A regular polyhedron is revealed, which can accommodate Elements up to atomic number Z = 146, that is 28 more than Z = 118 of existing last Elem