Kinetic Interaction of Hexan Conversion and Oxidation on the Surface of an Al2O3 Nanocatalyzer at Room Temperature under the Effect of Gamma Radiation

The kinetic and temperature dependencies of the conversion of hexane to gas and liquid oxide products on the surface of the nano-Al2O3 catalyst in the homo and hetero phase were investigated and compared. The rate of hexane conversion in air in different phases at temperature ∆T = 180–2000 C was determined ((a) 10–15% from the homo phase in the hetero phase; (b) thermal 12–17%; (c) radiation-thermal 14–22%). It is shown that the excess electron density formed in radiation defects migrates from the surface to the adsorbents, thereby weakening the intramolecular chemical bonds of the adsorbent and accelerating the decomposition processes investigated.

Molecular dynamics simulation for structural heterogeneity and diffusion process in liquid GeO2

In this paper, we perform a simulation about liquid GeO2. The structure and diffusion process are analyzed through the radial distribution function, the distribution of GeOx (x = 4, 5, 6) structural units, length distribution, angle distribution, and data visualization. Simulation results show that the structure of liquid GeO2 composes clusters of GeO4, GeO5, or GeO6. These clusters have sizes depending on pressure and are distributed heterogeneously in space. This result confirms the origin of dynamical heterogeneity in the liquid oxide systems. In addition, the diffusion coefficient of Ge and O decreases upon pressure. We show that the diffusion relates to the breaking bond Ge-O.

Measurements of Density of Liquid Oxides with an Aero-Acoustic Levitator

Densities of liquid oxide melts with melting temperatures above 2000 °C are required to establish mixing models in the liquid state for thermodynamic modeling and advanced additive manufacturing and laser welding of ceramics. Accurate measurements of molten rare earth oxide density were recently reported from experiments with an electrostatic levitator on board the International Space Station. In this work, we present an approach to terrestrial measurements of density and thermal expansion of liquid oxides from high-speed videography using an aero-acoustic levitator with laser heating and machine vision algorithms. The following density values for liquid oxides at melting temperature were obtained: Y2O3 4.6 ± 0.15; Yb2O3 8.4 ± 0.2; Zr0.9Y0.1O1.95 4.7 ± 0.2; Zr0.95Y0.05O1.975 4.9 ± 0.2; HfO2 8.2 ± 0.3 g/cm3. The accuracy of density and thermal expansion measurements can be improved by employing backlight illumination, spectropyrometry and a multi-emitter acoustic levitator.

Thermodynamic Modeling of the Processes of Interaction of Calcium, Magnesium, Aluminum and Boron with Oxygen in Metallic Melts

A method for calculation of the diagrams of steel deoxidation and modification by calcium, magnesium, aluminum and boron was developed. The coordinates of the liquidus surfaces of the oxide systems B2O3–Al2O3–MgO, B2O3–Al2O3–CaO, B2O3–MgO–CaO were found at 1873 K. The energy parameters were determined for the theory of subregular ionic solutions of the studied oxide systems. The coordinates of the solubility surfaces for the systems Fe–Mg–Al–B–O, Fe–Ca–Al–B–O, Fe–Mg–Ca–Al–B–O were calculated. The effect of the total pressure on solubility of magnesium and calcium in liquid iron was studied. The activity of the components of the metallic melt was calculated using the first-order interaction parameters (Wagner's theory). The activities of the components of solid solutions (oxides and spinels) were equated with their molar fractions. It was shown that during extensive refining of metal from the oxygen, only a small fraction of boron oxidizes and these oxides form fraction of the oxide melts. The major non-metallic oxide inclusions were magnesia spinel, calcium bialuminate and liquid oxide formations. The "free" boron was dissolved in liquid metal in amounts which were in equilibrium with oxide phases.

Computer Simulation of Microsegregation of Sulphur and Manganese and Formation of MnS Inclusions while Casting Rail Steel

The quality of rail steel is conditioned by its high mechanic qualities, which greatly depend on the presence of undesired nonmetallic inclusions. The paper is devoted to the segregation of components, mainly sulphur, and the formation of manganese sulphide in the process of steel solidification, at the casting rate of 100 and 500 K/min. Sulphur is a steel component which disadvantageously influences its numerous parameters. The oxide-sulphide and sulphide precipitations cause cracks and lower the strength of the material. This phenomenon was modeled with the use of author’s computer program based on Matsumiya interdendritic microsegregation model. The main assumptions of this model and thermodynamic conditions of inclusion formation during casting of steel are discussed in this paper. Two cases were analyzed: in the first one the MnS was assumed to form a pure and constant compound, whereas in the other one the manganese sulfide was precipitated as a component of a liquid oxide solution, and its activity was lower than unity. The final conclusion is that chemical composition of steel is the major parameter deciding about the formation of MnS inclusions.