Analysis of hydrodynamic and thermal dispersion in porous media by means of a local approach

A pore scale analysis is implemented in this numerical study to investigate the behavior of microscopic inertia and thermal dispersion in a porous medium with a periodic structure. The macroscopic characteristics of the transport phenomena are evaluated with an averaging technique of the controlling variables at a pore scale level in an elementary cell of the porous structure. The Darcy–Forchheimer model describes the fluid motion through the porous medium while the continuity and Navier–Stokes equations are applied within the unit cell. An average energy equation is employed for the thermal part of the porous medium. The macroscopic pressure loss is computed in order to evaluate the dominant microscopic inertial effects. Local fluctuations of velocity and temperature at the pore scale are instrumental in the quantification of the thermal dispersion through the total effective thermal diffusivity. The numerical results demonstrate that microscopic inertia contributes significantly to the magnitude of the macroscopic pressure loss, in some instances with as much as 70%. Depending on the nature of the porous medium, the thermal dispersion may have a marked bearing on the heat transfer, particularly in the streamwise direction for a highly conducting fluid and certain values of the Peclet number.     

1,3,4-Oxadiazole, 1,3,4-thiadiazole and 1,2,4-triazole derivatives as potential antibacterial agents

Since the introduction of the first antibiotic (penicillin, 1942) into medical practice, to date, there has been an ongoing “race” between scientists creating new drugs and pathogenic bacteria. Antibiotic-bacteria are becoming progressively common, and to make matters worse, more and more bacteria are becoming resistant to all known antibiotics. The traditional method for this problem is to introduce new antibiotics that kill the resistant mutants. This specific “arms race” resulted into thousands of potentially active chemicals are synthesized in laboratories around the world every day.1,3,4-Oxadiazole; 1,3,4-thiadiazole; 1,2,4-triazole and some of their derivatives are involved in modifications at the following axes: First, attaching a thio-group into heterocyclic rings. Second, introducing different substitutions at position 5 which often are the residuals of the synthetic starting materials such as simple aliphatic, substituted aliphatic chains, aromatic carbocyclic and heterocyclic residues.     

Elastic and inelastic scattering in silicon using Mössbauer diffraction

The Mossbauer diffraction instrument at the Missouri University Research Reactor has been used to measure the elastic and inelastic contributions to the 444 Bragg reflection in dynamic silicon at room temperature. These measurements used the 46.5-keV gamma rays from high intensity¹⁸³Ta sources cooled to liquid nitrogen temperature. The main feature of this study compared to similar measurements on silicon is the significantly improved momentum space resolution. ΔQ values of 0.011 Å^?1 and 0.11 Å^?1 were measured for the transverse and longitudinal directions, respectively.     

Asymmetry parameters in183W and182W using mice detection with a crystal monochromator

Using exceptionally high intensity Mössbauer sources (～ 1–100 Ci) of¹⁸²Ta and¹⁸³Ta, we have measured the Mössbauer effect for the 46.5 and 99.1 keV transitions of¹⁸³W and the 100.1 keV transition of¹⁸²W. Using a microfoil internal conversion electron (MICE) /1/ detector capable of operation at low temperatures, and a LiF crystal monochromator, we obtain effects of nearly 600% for the 46.5 keV transition and 3 1/2% and 6% for the other two cases, while standard transmission measurements typically yield much smaller signal-to-background ratios. With this technique we have measured the asymmetry term in the conversion electron spectra. To our present level of accuracy the results are in agreement with theoretical calculations of interference parameters /2/. Our results do not agree with earlier measurements /3/ on this transition, which are grossly at variance with theoretical calculations of the interference parameter.     

Theoretical investigations of structural, electronic and thermal properties of Ti2AlX(X=C,N)

We have carried out a first-principles total-energy calculations of the structural and the electronic properties for the series of H-phases compounds Ti₂AlC and Ti₂AlN. We have applied the full-potential linearized augmented plane waves (FP-LAPW) method based on the density functional theory (DFT) using the local-density approximation (LDA) and/or the generalized gradient approximation (GGA). The quasi-harmonic Debye model, using a set of total energy versus volume calculations obtained with the FP-LAPW method which is applied to study the thermal and vibrational effects. Temperature and pressure effects on the structural parameters, thermal expansions, heat capacities and Debye temperatures are determined from the non-equilibrium Gibbs functions.     

Synthesis and characterization of a liquid crystal containing oxadiazole and its performance for the separation of isomers by gas chromatography

Liquid crystals are used as the stationary phase in gas chromatography to separate close-boiling isomers. In this paper, a new nematic liquid crystal containing oxadiazole was prepared by condensation of the amino group of 4-(5-(ethylthio)-1,3,4-oxadiazole-2-yl)aniline and the aldehyde group of p-methoxy-benzaldehyde. The compound was characterized by NMR, IR, X-ray diffraction, polarized light microscopy, and differential scanning calorimetry. The liquid crystal was used as the stationary phase in gas chromatography, and the nematic phase separated a variety of isomers, such as benzene derivatives, ionone, and citral.     

A Comparative Analytical Study of Two New Liquid Crystals Used as Stationary Phases in GC

The investigation of the analytical properties of two new nematic sulphur-containing liquid crystals 5-(4-methoxyphenyl)-azophenyl)-2-butylthio-1,3,4-oxadiazole (Phase I) and 5-(4-(propoxyphenyl)-azophenyl)-2-butyl thio-1,3,4-oxadiazole (Phase II) and which comprise units of 1,3,4-oxadiazole instead of the aromatic cycles, was carried out by gas chromatography using glass capillary columns. For this purpose, many solutes belonging to various families and having different polarities and volatilities were injected. Comparison of the retention data of the studied components has shown that Phase II allowed a better separation than the other phase. The two liquid crystalline materials show a good separation of the studied isomers except for xylene.     

Effect of exchange–correlation on quantum ion-acoustic soliton energy

The electrons exchange–correlation influence on the energy carried by the quantum ion-acoustic soliton (QIAS) is succinctly discussed. Starting from the one-dimensional quantum hydrodynamic model (in which the term of exchange–correlation for electrons is included), a deformed Korteweg–de Vries-like equation is derived. It is found that the QIAS energy experiences a depletion as a result of quantum diffraction. This quantum energy depletion may be counteracted by the exchange–correlation effect. The present work can be viewed as a first step towards the investigation of the exchange–correlation effects on the dynamics of solitary waves in quantum plasmas.     

Synthesis of four liquid crystals and study of alkyl chain effect on the nematic range for application in GC

Four liquid crystals (LCs) compounds which contain the 1,3,4-oxadiazole group were synthesized and characterized with spectroscopic techniques (IR, ¹H- and ¹³C NMR), their thermal properties were analyzed by the Differential Scanning Calorimetry (DSC) and the polarizing microscope (POM). A comparative study of the mesomorphic properties of these LCs and three other compounds which have already been used as a stationary phase in gas chromatography (GC) was carried out. These compounds have the same main nucleus. LCs V1, LC1, LC2 and LC3 gave a nematic (N) phase to the heating, LCs V2 and V3 recorded smectic A (SmA) and N phases. However, the range (N) has disappeared in V4.