Ion-molecular Model Research Articles

Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model

Thermodynamics of liquid water in terms of a non-standard approach-the ion-molecular model-is considered. Water is represented as a dense gas of neutral H2O molecules and single charged H3O+ and OH- ions. The molecules and ions perform thermal collisional motion and interconvert due to ion exchange. The energy-rich process-vibrations of an ion in a hydration shell of molecular dipoles-well known to spectroscopists with its dielectric response at 180 cm-1 (5 THz), is suggested to be key for water dynamics. Taking into account this ion-molecular oscillator, we compose an equation of state of liquid water to obtain analytical expressions for the isochores and heat capacity.

Оn the problem of the 240 K singularity in water

Water’s properties are exceptional at low temperatures. Dielectric constant demonstrates ferroelectric-like behavior. We treat an idea to interpret the fundamental feature of water, 240 K singularity, through the Maxwell speed distribution of freely moving water molecules. We use the ion-molecular model recently proposed by us, in which water molecules make the translation-oscillator movement with rapid potential/kinetic energy transformation. The model provides direct access to the velocity distribution through the kinetic energy of free thermal motion.

Cohesion and Heat Capacity of Liquid Water from the Viewpoint of an Electrostatic Model

The ion–molecular model of water, which assumes a high concentration of short-lived ions of Н3О+ and ОН– and their proton exchange with neutral Н2О molecules, indicates that water cohesion is achieved in the form of electrostatic interaction between oscillating ions and the molecular dipoles that surround them. It is shown that these oscillators with a frequency of 5 THz are responsible for the specific heat capacity of water.

Ионно-молекулярная модель памяти. Запоминание

This article is from the series on the creation of ion-molecular models of memory, dedicated memorizing, i.e., the process of storing information in memory. The authors believe that the process of memorizing is carried out by images, and for the physical model, the question is the theory of soliton-holographic system. The process of memorizing is implemented in the structural changes of molecules and sub-molecular structures, and the way memory is formed during a finite time. The quality memorization requires multiple copies, for example, fractal, soliton-holographic and other images. The authors reviewed more "thin" issues, the specific implementation of the memory. The authors present one of the possible variants of memorizing in the framework of ion-molecular memory model. The concept of memorizing is discussed below in the duality of memory: memorizing and its retrieving as system duality of the mechanism of memory. Regarding the actual images memorizing, we are talking about a set of specific characters, which allow an adequate degree of accuracy to recover memory when retrieving from memory the stored image. The actual process of memorizing is realized in the process of structural transformations of molecular and sub-molecular structures, as a result of certain physic and chemical interactions. Such changes are to be under any influences from the external environment through the senses and evolution in the internal environment. Here the authors emphasize the electromagnetic basis of processes of memorizing and memory, i.e., electrical signals from neurons to structural elements of the library memory. It is important to emphasize that the (real) memorizing not all the information, but only volume that allows to restoring it completely, saves space and time needed to remember.

Ионно-молекулярная модель памяти. Потенциальные источники, детекторы, передатчики и накопители информации

This paper deals with the important issues of the developed model of memory, namely: basic elements of functional scheme of ion-molecular model: potential sources, transmitters, detectors, mass storage media by means of radio-physical analogy. It was established that neurons are structural elements of memory. The question of the role of cash and new proteins in the organization of memory was considered. Without a doubt, that in the process of transfer and accumulation of information is the activation of protein synthesis. Definitions of the source, detector, transmitter and drive information in their biological, biophysical interpretations were given. It is about a multi-element information system. It is clear that from the position of the conceptual model of memory, as originally postulated, opens a wide field for discussion. The below is an element of the hierarchical tree of memory, the more difficult it becomes positively identify him. But any new theory invariably goes through this stage. Detailed scheme of subordination elements of the system of receiving information on ionic and molecular carriers of memory was presented. In the end of this paper a substantial question was considered: is it possible to store all the received information, limited only by the time of functioning (existence) of the body? On the basis of the analysis of literary sources and in the context of developing the authors of ion-molecular memory model answer to the question can be the following: the concept of the possibility of such information storage if there is, obviously, only in that case when there are no structural changes in the library memory.

Study of phonon dispersion relations in forsterite, Mg2SiO4 by inelastic neutron scattering

Abstract Phonon dispersion relations in forsterite, Mg2SiO4 (orthorhombic, a = 10.190, b = 5.978, c = 5.753 A , space group PnmaZ = 4) have been determined under ambient conditions using inelastic neutron scattering (INS). Nine acoustic and seventeen optic branches have been measured along the three principal symmetry directions in the Brillouin zone. Seven zone center phonons have been observed with frequencies 104, 144, 184, 192, 200, 258, 315, and 325 cm−1, which are in good agreement with Raman and infra red measurements, except the lowest frequency phonon at 104 cm−1, which is Raman and IR inactive and has been observed for the first time in INS. In order to select suitable wave vector transfers for phonon measurements, the one-phonon neutron structure factors predicted from a lattice-dynamical rigid ion molecular model were used as guides for the INS experiment. The measured dispersion relations agree very well with those predicted from a rigid ‘molecular’ ion model, where the tetrahedral [SiO4] unit is assumed to be a rigid group. The elastic constants determined from the slopes of the acoustic branches show good agreement with those measured by ultrasonic techniques.

The molecular aspect of ferroelectricity in KDP crystals

Abstract The totality of structural and spectroscopic data implies that the H2PO4 − groups in the crystal lattice of the ferroelectric phase of KDP represent molecular formations. Their structure, force field and charge distribution are determined by the covalent binding pattern. Spontaneous polarization in the ion-molecular model of a crystal is represented by a sum of the oppositely directed surface contribution and bulk polarization. The bulk polarization is produced by the molecular dipoles of the anions, and the surface contribution, by charged surface layers created at the polar faces by proton ordering. The surface contribution being predominant, the spontaneous polarization of a crystal is directed opposite to the anion dipole moments. A detailed analysis of the charge distribution in molecular anions reveals that the polarization is primarily due to the electronic populations of the O and OH atoms in the structure being nonequivalent.