Mathematical model of stacked one-sided arrangement of the burners

Paper is aimed at computer simulation of the turbulent methane-air combustion in upgraded U-shaped boiler unit. To reduce the temperature in the flame and hence NOx release every burner output was reduced, but the number of the burners was increased. The subject of studying: complex of characteristics with space-time fields in the upgraded steam boiler E-370 with natural circulation. The flare structure, temperature and concentrations were determined computationally

Heterocyclic Inhibitors of Viroporins in the Design of Antiviral Compounds

[Figure not available: see fulltext.] Ion channels of viruses (viroporins) represent a common type of protein targets for drugs. The relative simplicity of channel architecture allows convenient computational modeling and enables virtual search for new inhibitors. In this review, we analyze the data published over the last 10 years on known ion channels of viruses that cause socially significant diseases. The effectiveness of inhibition by various types of heterocyclic compounds of the viroporins of influenza virus, hepatitis С virus, human immunodeficiency virus, human papillomaviruses, coronaviruses, and respiratory syncytial virus is discussed. The presented material highlights the promise held by the search for heterocyclic antiviral compounds that act by inhibition of viroporins

Phase partitioning and uranium speciation in brannerite-based ceramics

Branneritecontaining ceramics were produced by cold pressing and sintering (CPS) and cold crucible inductive melting (CCIM) methods and examined by X-ray diffraction and absorption and by scanning electron microscopy. Brannerite content in the ceramics ranged between ∼20 and 90 vol.%. Uranium is mainly partitioned between brannerite and minor mixed U/RE oxide but since brannerite is a dominant phase, it takes up to 90% of total U. Uranium in the ceramics is present as U(IV) and U(V). In the low-brannerite ceramics U occurs as U(IV) whereas in the ceramics with brannerite as major phase U(V) dominates over U(IV). Ce in the brannerite ceramics is mainly trivalent. The first coordination shell of U in ceramics produced by CPS is split into two sub-shells with U-O distances of 1.7–1.9 Å and ∼2.1 Å while in the melted ceramics this interatomic distance is 2.1–2.2 Å. The next three atoms (Ti) are positioned at a distances of 3.1–3.2 Å

Microporosity and nanostructure of activated carbons: characterization by X-ray diffraction and scattering, Raman spectroscopy and transmission electron microscopy

International audienceMicroporosity and structure of a set of activated carbons was studied by combination of N 2 and CO 2 adsorption, Transmission Electron Microscopy (TEM), X-ray diffraction and scattering and multiwavelength Raman spectroscopy. It is shown that correlations between measured parameteres may be established for a given set of activated carbons, most often obtained from a same precursor. Comparison of results of TEM images processing and of Small-angle scattering with adsorption data suggests that super-micropores (0.7-2 nm) are highly variable in shape and strongly deviate from the ideal slit pore model. These pores are likely located in between disordered continuous graphene stacks. It is shown that Small-angle scattering is mostly caused by supermicropores; contribution of other types of porosity is of secondary importance. For a set of carbons with similar structure, a reasonable correlation between Guinier radii and pore width obtained from N 2 adsorption can be found; however, the reason for the observed offset between the data sets remain uncertain. Sensitivity of the Raman scattering to atomic scale processes leads to poor or unclear correlations between the spectroscopic and structural data, although some notable exceptions are noted