Propylene Copolymers with Odd Carbon Number Olefins

Preliminary investigation on propylene copolymers with odd carbon number olefin are reviewed. Additional experimental data presents propylene copolymers with 1-heptene and 1-nonene having higher impact strength and lower tensile strength values than copolymers of propylene and 1-pentene.Thermoanalysis shows that the melting temperatures of the different copolymers decreases with increasing comonomer content. Slight changes were observed between the different propylene/1-heptene copolymer melting and propylene/1-pentene while the 1-nonene copolymers show broadening of the melting curves as the comonomer content increases. It was highlighted that the source of novelty for these polymers is the comonomer type and content.     

Preparation of Ni boracite crystals by hydrothermal synthesis

Ni boracite crystals with the general formula Ni₃B₇I_1—x(OH)_xO₁₃ have been prepared by hydrothermal synthesis. The experimental conditions are given along with some characteristics of the crystals obtained.     

Water incorporation into the Ba2(In1 − xMx)2O5‪ (M = Sc 0 ≤ x < 0.5 and M = Y 0 ≤ x < 0.35) system and protonic conduction

Ba₂(In_1 − xM_x)₂O_{5 − y / 2}(OH)_y‪□_{1 − y / 2} (y ≤ 2; M = Sc³⁺ 0 ≤ x < 0.5 and M = Y³⁺ 0 ≤ x < 0.35) compounds were prepared by reacting Ba₂(In_1 − xM_x)₂O₅‪ phases with water vapor. This reaction is reversible. Analyses of the hydration process by TG and XRD studies show that the thermal stability of hydrated phases increases when x increases and that the incorporation of water is not a single-phase reaction inducing either a crystal system or space group modification. Fully hydrated (y = 2) and dehydrated (y = 0) samples have been stabilized at room temperature and characterized for all compositions. In wet air, all phases show a proton contribution to the total conductivity at temperatures between 350 and 600 °C. At a given temperature, proton conductivity increases with the substitution ratio and reaches at 350 °C, 5.4 10^− 3 S cm^− 1 for Ba₂(In_0.65Sc_0.35)₂O_4.2□_0.2(OH)_1.6.     

Bounds on the Total Restrained Domination Number of a Graph

Let G = (V, E) be a graph. A set S í V{S \subseteq V} is a total restrained dominating set if every vertex is adjacent to a vertex in S and every vertex of V − S is adjacent to a vertex in V − S. The total restrained domination number of G, denoted by γ _tr (G), is the smallest cardinality of a total restrained dominating set of G. We show that if δ ≥ 3, then γ _tr (G) ≤ n − δ − 2 provided G is not one of several forbidden graphs. Furthermore, we show that if G is r − regular, where 4 ≤ r ≤ n − 3, then γ _tr (G) ≤ n − diam(G) − r + 1.     

A combined experimental and theoretical study on the conformational behavior of a calix[6]arene

An experimental and theoretical study on the conformational behavior of the 1,3,5-OMe-2,4,6-OCH(2)CONHOH-p-tert-butylcalix[6]arene has been carried out. In particular, semiempirical (AM1) and density functional theory (DFT) calculations have been performed in order to identify the possible conformers. The obtained results show that the cone structure is the most stable conformer at any level of theory, even if significant differences have been obtained for the other species. The inclusion of solvent effect, through a continuum model, also points out the relevant role played by the solvent in the stabilization of the cone structure in solution. These latter results have been confirmed by NMR experiments, which clearly show the presence of only the cone conformer in a polar solvent, such as DMSO. Finally, (1)H and (13)C NMR spectra on model systems, i.e., two successive phenol rings (Ar(1)-CH(2)-Ar(2)), have been computed at the DFT level and compared with the experimental spectra of the complete molecule. The results show an overall good agreement with the experimental data, thus leading to an unambiguous assignment of the experimental spectra.     

Simulating temperature programmed desorption of water on hydrated gamma-alumina from first-principles calculations

The knowledge of the properties of gamma-alumina is of great importance in order to control its surface for numerous applications. We investigate the kinetic behavior of the hydrated alumina (110) surface toward water desorption: the minimum energy path is presented for successive desorption steps starting from the completely hydrated surface toward the dehydrated one. It appears that water desorption is a non activated process. A kinetic model is proposed based on an extension of the Eyring theory. This model is a useful tool to understand the evolution of water coverage during the pretreatment of alumina. It is then used to model temperature programmed desorption experiments for various heating rates. The shape of the desorption curve is qualitatively reproduced, and the differences between theory and experiments are discussed.