Experimental determination and prediction of (solid + liquid) phase equilibria for binary mixtures of aromatic and fatty acids methyl esters

Solid–liquid equilibria for binary mixtures of {methyl stearate (1) + biphenyl (2)}, {methyl stearate (1) + naphthalene (2)}, {methyl palmitate (1) + biphenyl (2)} and {methyl palmitate (1) + naphthalene (2)} were measured using differential scanning calorimeter. Simple eutectic behaviours for these systems were observed. The experimental results were correlated by means of the NRTL, Wilson, UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.5477 K (for UNIQUAC model) to 7.79 K; the deviations depend on the binary system studied and particular model used. The best solubility correlation was obtained with UNIQUAC model and this observation confirms previous results.     

Applied multi-pulsed laser in surface treatment and numerical-experimental analysis

This paper presents a comparison between simulation and experimental results of the melting process of metallic material by a pulsed laser source Nd-YAG. The simulations of temperature and velocity fields of melted material were done by solving the transient heat transfer and fluid-flow equations. Variations of the thermophysical properties were considered. Furthermore, the model included the effects of the surface-tension gradient on the fluid surface and the buoyancy force. The simulation was useful in improving our understanding of the phenomena occurring in the treated material. Using a laser triangulation sensor, an experimental study was also conducted on the surface profile of the melted zones to seek a relationship between the so-called keyhole effect and the laser triangulation measurements. The keyhole effect induced strong surface deformations and often formed cavities, which were undesirable in the surface treatment process. The laser power, energy density, and treatment duration could be optimized to prevent the keyhole effect. The predicted laser melted zone (LMZ) morphology was in good agreement with the corresponding experimental measurements for various irradiation conditions, as long as the keyhole effect did not occur.     

Efficiency of succinylated-olive stone biosorbent on the removal of cadmium ions from aqueous solutions

Chemical functionalization of olive stone wastes with succinate linkers can potentially improve the performance of wastewater treatment technologies via enhanced adsorption and high affinity of the covalently attached succinate groups for heavy metals. In this study, a novel reusable adsorbent material based on agricultural waste has been synthesized by esterifying the lignocellulosic matrix of olive stones with succinic anhydride in toluene under basic conditions. Characterization of the as-prepared material by FTIR and solid-state MAS ¹³C NMR spectroscopies and TGA confirmed that the heterogeneous esterification has proceeded very efficiently to yield the succinylated-olive stone (S–OS). Subsequent alkaline treatment of S–OS with saturated NaHCO₃ aqueous solution led to the resulting sodic material (NaS–OS), which was subjected to batch experiments in order to evaluate its cadmium-removing efficiency from aqueous solutions at realistic concentrations of cadmium found in industrial effluents. The results obtained from the sorption characteristics have revealed that NaS–OS material is highly effective in removing cadmium from aqueous solutions, with a maximum uptake capacity of 200 mg g⁻¹ (1.78 mmol g⁻¹). The Langmuir isotherm model was found to fit adequately the equilibrium isotherm data. Cadmium adsorption occurs rapidly and the adsorption mechanism is a chemical sorption via ionic exchange between the adsorbate and adsorbent. Thermodynamic parameters were also evaluated from the effect of temperature studies. Regenerability of NaS–OS material was ascertained by quantitative desorption of cadmium with 1 M aqueous NaCl and the reusability of the matrix after five repeated cycles led to nearly no attenuation in its performance (less than 2% in the sorption capacity), indicating that repeated use of NaS–OS is quite feasible. Compared to other low-cost adsorbents utilized for the removal of Cd(II) from water/wastewater, NaS–OS shows higher sorption capacity. These results have important implications for the design of low-cost adsorbents based on agricultural wastes.     

An MEDT study of the mechanism and selectivities of the [3+2] cycloaddition reaction of tomentosin with benzonitrile oxide

The [3+2] cycloaddition (32CA) reaction of tomentosin with benzonitrile oxide yielding a spiro-isoxazoline has been studied within the Molecular Electron Density Theory at the B3LYP/6-31(d,p) computational level. Given the multifunctionality of tomentosin, this 32CA reaction can take place along 16 competitive reaction paths. The chemo-, regio-, and stereoisomeric reaction paths involving the two C C double bonds of tomentosin have been studied. Density functional theory (DFT) calculations account for the total chemo- and regioselectivity, in complete agreement with the experimental outcomes, being suggestive of low diastereofacial selectivity. Analysis of the conceptual DFT indices accounts for the nonpolar character of this 32CA reaction. On the other hand, the topological analysis of the electron localization function of the selected points of the intrinsic reaction coordinate associated with the formation of the C C and C O single bonds emphasizes the zw-type reactivity of the phenyl nitrile oxide; the reaction taking place through a non-concerted two-stage one-step mechanism initialized with the formation of the C C single bond involving the β-conjugated carbon of tomentosin.     

Hypersurfaces compactes d'un fibré vectoriel riemannien à courbure moyenne prescriteCompact hypersurfaces of a Riemannian vector bundle with prescribed mean curvature

Let M be a compact Riemannian manifold, E a Riemannian vector bundle on M and Σ the sphere subbundle of E. We look for embeddings of Σ into E admitting prescribed mean curvatures of various types. To cite this article: P. Cherrier, A. Hanani, C. R. Acad. Sci. Paris, Ser. I 335 (2002) 525–528.     

Global solutions and self-similar solutions of semilinear wave equation

We prove existence, uniqueness and regularity results for the global solutions of the semilinear wave equations. In particular, we show existence of regular self-similar solutions. Also, we build some finite-energy asymptotically self-similar solutions. Received: 20 September 1999; in final form: 10 May 2000 / Published online: 25 June 2001     

A regiodivergent synthesis of ring a C-prenylflavones

Capitalizing on the use of orthogonal protecting groups and the development of a modified Robinson flavone synthesis that avoids harsh acidic conditions, a regioselective synthesis of 6- and 8-prenylflavones from the same prenylated disilylated phloracetophenone (9) has been developed, targeting cannflavin B (1d), the COX-inhibiting principle of marijuana, and its unnatural isomer isocannflavin B (1e) as model compounds.     

Dynamic near three-to-one internal resonance in composite stiffened panels

Nonlinear dynamic of composite stiffened panels to parametric and three-to-one internal resonances is investigated. The ordinary differential equation of two mode shapes is established by using Galerkin method and the condition of three-to-one internal resonance between the first mode (1,3) and the second mode (3,1) is examined near the principal resonance 2:1 of the first mode. Then, the nonlinear behavior of the two buckling mode shapes is analyzed using a perturbation analysis. We show the existence of jump phenomena for the two modes indicating a complex dynamic of the structure near the three-to-one internal resonance for the HM Graphite/epoxy materials.     

A DFT calculation of electronic structures,magnetic, and thermoelectric properties of the new equiatomic quaternary Heusler alloy RuTiCrSi

The stabilities, mechanical, electronic, and magnetic properties of the new equiatomic quaternary Heusler alloy (EQHA) RuTiCrSi were investigated using the Kohn-Sham DFT (KS-DFT) calculations within the generalized gradient approach (GGA), the modified version of the exchange potential introduced by Becke and Johnson in addition to the GGA (mBJ-GGA), and Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional. The ground-state equilibrium energy reveals that the ferromagnetic with type 2 structure is the more stable. The RuTiCrSi is energetically, mechanically, and dynamically stable. The calculated self-consistent total magnetic moment is 2 μB and agrees well with the Slater-Pauling rule of $M_{\mathrm{t}}=\left|Z_{\mathrm{t}}-24\right|$. The electronic structure results from mBJ-GGA and HSE06 functionals show a half-metallic behavior. A high Curie temperature is obtained using the mean-field approximation. The thermoelectric response was calculated using the semi-classical Boltzmann transport equation under constant relaxation time. The maximum value of Seebeck coefficient is observed at the ambient temperature of $741\mathrm{\mu V}{\mathrm{K}}^{-1}$. It was also observed that the power factor increases significantly as temperature rises. Therefore, the new EQHA RuTiCrSi seems to be a potential candidate for spintronic thermoelectric applications.