Three-dimensional multiphase CFD modeling of thermal–hydraulic characteristics of nanofluid flow in helical microchannels

Journal of Thermal Analysis and Calorimetry - Forced convection heat transfer of two different types of water-based nanofluids (Al2O3, TiO2) was investigated numerically. In this numerical...     

Understanding the domino reactions of alkyne-tethered N-tosylhydrazones yielding fused polycyclic pyrazoles. An MEDT study

The domino reactions of alkyne-tethered N-mesylhydrazones yielding fused polycyclic pyrazoles have been studied within the Molecular Electron Density Theory (MEDT). Analysis of the Gibbs free energies indicates that the more favourable reactive path is the one in which the elimination of mesylate anion takes place before the intramolecular [3 + 2] cycloaddition (IM32CA) reaction, which corresponds with the rate-determining step of these domino processes. ELF topological analysis of the bond formation along the IM32CA reaction indicates that in spite of the high activation energy associated to this intramolecular reaction, it shows a pmr-type mechanism characterised by the presence of a pseudoradical carbon at the phenyldiazomethane framework.     

Effect of alkali content on AC conductivity of borate glasses containing two transition metals

Sodium borate glasses containing iron and molybdenum ions with the total concentration of transition ions constant and gradual substitution of sodium oxide (network modifier) by borate oxide (network former) was prepared. Densities, molar volume, DC and AC conductivities are measured. The trends of these properties are attributed to changes in the glass network structure. Their DC and AC conductivity increased with increasing NaO concentration. The increase of AC conductivity of sodium borate glasses is attributed to the chemical composition and the hopping mechanism of conduction. Measurements of the dielectric constant (ε) and dielectric loss (tan δ) as a function of frequency (50 Hz–100 kHz) and temperature (RT—600 K) indicate that the increase in dielectric constant and loss (ε and tan δ) values with increasing sodium ion content could be attributed to the assumption that Fe and Mo ions tend to assume network-forming position in the glass compositions studied.The variation of the value of frequency exponent s for all glass samples as the function of temperature at a definite frequency indicates that the value of s decreases with increasing the temperature which agrees with the correlated barrier-hopping (CBH) model.     

An efficient synthesis of α‐Amino phosphonates using silica sulfuric acid as a heterogeneous catalyst

α‐Amino phosphonates were obtained in a one‐pot, simple, and efficient method from the reaction between aldehyde, aniline, trialkyl phosphite, and silica sulfuric acid as a catalyst in acetonitrile at room temperature. © 2009 Wiley Periodicals, Inc. Heteroatom Chem 20:316–318, 2009; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20543     

Evaporative isotope enrichment as a constraint on reach water balance along a dryland river

Deuterium and oxygen-18 enrichment in river water during its transit across dryland region is found to occur systematically along evaporation lines with slopes of close to 4 in (2)H-(18)O space, largely consistent with trends predicted by the Craig-Gordon model for an open-water dominated evaporating system. This, in combination with reach balance assessments and derived runoff ratios, strongly suggests that the enrichment signal and its variability in the Barwon-Darling river, Southeastern Australia is acquired during the process of evaporation from the river channel itself, as enhanced by the presence of abundant weirs, dams and other storages, rather than reflecting inherited enrichment signals from soil water evaporation in the watershed. Using a steady-state isotope mass balance analysis based on monthly (18)O and (2)H, we use the isotopic evolution of river water to re-construct a perspective of net exchange between the river and its contributing area along eight reaches of the river during a drought period from July 2002 to December 2003, including the duration of a minor flow event. The resulting scenario, which uses a combination of climatological averages and available real-time meteorological data, should be viewed as a preliminary test of the application rather than as a definitive inventory of reach water balance. As expected for a flood-driven dryland system, considerable temporal variability in exchange is predicted. While requiring additional real-time isotopic data for operational use, the method demonstrates potential as a non-invasive tool for detecting and quantifying water diversions, one that can be easily incorporated within existing water quality monitoring activities.     

Synthesis,structure and magnetism of a new dicubane-like ferromagnetic tetranuclear nickel cluster containing versatile azido-only bridges and a bis(bidentate) Schiff base blocker

A new tetranuclear double-open dicubane complex [Ni4(mu 2-N3)4(mu 3-N3)2(N3)2(enbzpy)2].2H2O (enbzpy = [N,N-bis(pyridin-2-yl)benzylidene]ethane-1,2-diamine) has been characterised structurally and magnetostructurally.     

Chromium,molybdenum and ruthenium complexes of chloranilic acid

Chloranilic acid (H₂CA) reacts with Cr(CO)₆ and CrCl₃ to give the tris derivatives Cr(H₂CA)₃ and Cr(HCA)₃. Spectroscopic measurements on the two complexes reveal that the ligand–metal bond is of the semiquinone type. Susceptibility determinations showed effective magnetic moments of 1.82 and 1.07_B. Examination of Cr(H₂CA)₃ by cyclic voltammetry revealed two redox reactions due to tautomeric interconversion through electron transfer. Boiling Mo(CO)₆ with H₂CA in air gave MoO₃(HCA) in which the molybdenum atom is in the +5 oxidation state. The i.r. spectrum of the MoO₃(HCA) displayed bands due to terminal M=O bonds. The cluster compound Ru₃(CO)₁₂ reacted with H₂CA to give Ru₃(CO)₁₀(-H)(HCA), the i.r. spectrum of which revealed that the ligand is bound to the metal as a catechol moiety. The spectroscopic and magnetic studies of the molybdenum and ruthenium complexes confirmed the proposed structures.