Molecular Simulations of CO2/CH4, CO2/N2 and N2/CH4 Binary Mixed Hydrates

Colloid Journal - Grand canonical Monte Carlo simulations were performed to study the occupancy of structure I multicomponent gas hydrates by CO2/CH4, CO2/N2, and N2/CH4 binary gas mixtures with...     

Dissipation of the energy of sound waves in small gas bubbles

One of the main factors affecting the dynamics of homogeneous solution type pulse reactors is the formation of gas bubbles on the fission-fragment tracks [1, 2]. The behavior of the reactor depends very considerably on the size (10^?5 cm) and growth rate of these bubbles [2], and it is, accordingly, a very important matter to study these properties. One convenient means of doing this lies in the acoustic method. The behavior of gas bubbles in the field of a sound wave has been studied in a large number of papers and reviews [3, 4]. In this paper we shall see the approximation of a sound wave of small amplitude to consider the dissipation of sound-wave energy in a gas bubble, at the same time allowing for inertia, surface tension, viscosity, heat transfer, and the diffusion of gas through the surface of the bubble.     

Terahertz detectors and focal plane arrays

Terahertz (THz) technology is one of emerging technologies that will change our life. A lot of attractive applications in security, medicine, biology, astronomy, and non-destructive materials testing have been demonstrated already. However, the realization of THz emitters and receivers is a challenge because the frequencies are too high for conventional electronics and the photon energies are too small for classical optics. As a result, THz radiation is resistant to the techniques commonly employed in these well established neighbouring bands.     

Nitro derivatives of 1,3-dihydrobenzimidazol-2-one: II. Rearrangement of <Emphasis Type="Italic">N</Emphasis>-nitrobenzimidazol-2-ones

N-Nitrobenzimidazol-2-ones readily undergo rearrangement to C-nitro derivatives on heating in various solvents (ethyl acetate, butyl acetate, acetonitrile, acetone, dioxane, o-dichlorobenzene, anisole, acetic acid). This rearrangement was used to develop a procedure for the synthesis of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one in high yield (90–96%) by nitration of 1,3-dihydrobenzimidazol-2-one, as well as of 5,6-dinitro- and 4,5,6-trinitro-1,3-dihydrobenzimidazol-2-ones, with a small excess of concentrated nitric acid in a mixture with acetic anhydride and acetic acid at 50–60°C.     

Poly(naphthalenehydrocarbyne): synthesis,characterization, and application to preparation of thin diamond films

The diamond phase precursor, viz., poly(naphthalenehydrocarbyne) (1), was prepared. Its disordered structure is built of CH fragments with sp³-hybridized carbon atoms, and arene fragments are inserted in the structure. The use of 1 in the process of diamond layer deposition makes it possible to prepare highly qualitative thin diamond coatings with low roughness and good optical properties.     

Molecular simulation of nanoclusters of gas hydrates in a water shell. The mechanical state of the system

The molecular dynamics method is employed to study hydrates of methane (sI), and krypton hydrate (sII), as well as an ice nanocluster in a supercooled water shell. The main attention is focused on the local structure and the mechanical state of two-phase nanosized systems, which is described using the local pressure tensor. Analysis of the temperature dependence of the local pressure allows one to compare two possible mechanisms responsible for the anomalous stability of gas hydrates at ambient pressure. According to the first mechanism, the water shell plays the role of a barrier that prevents the gas from escaping from the hydrate core. The second mechanism implies that the water shell generates additional pressure, which transfers the hydrate to a thermodynamically stable state. Results of molecular dynamics simulation indicate that both mechanisms are simultaneously involved in the stabilization of the hydrate nanocluster.     

Complex Calculation of Solution Pulsed Nuclear Reactor VIR-2M

Physics of Atomic Nuclei - The results of complex calculation of the solution pulsed nuclear reactor (PNR) VIR-2M are presented. The simulation of the fuel solution dynamics is described, and...     

Synthesis of esters of 2-substituted 4-ketopentanoic acids by the alkylation of CH-acids using chloroacetone under phase transfer catalysis conditions

An improved method was developed for the synthesis of ethyl esters of 2-substituted 4- ketopentanoic acids by the alkylation of CH₂ (X)CO ₂ Et using chloroacetone in the liquid- solid KOH (K ₂CO₃ or Na ₂CO₃ DMF-PhCH ₂ (Et) ₃ NCl system.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 473–474, February, 1990.     

Thermochemical Study of Gaseous Salts of Oxygen-containing Acids: IX. Calcium and Strontium Metaborates

Vapor formation in the systems CaO-B₂O₃ and SrO-B₂O₃ was studied by high-temperature mass spectrometry. Equilibria involving gaseous calcium and strontium metaborates were studied. Standard enthalpies of formation and atomization of the molecules CaB₂O₄(gas), CaBO₂(gas), SrB₂O₄(gas) and SrBO₂(gas) were determined.