Thermal behavior of Ni,Co and Fe succinates embedded in silica matrix

This paper presents the thermal behavior of Co, Ni and Fe succinates obtained by sol-gel synthesis using Co(II), Ni(II) and Fe(III) nitrates, 1,4-butanediol and tetraethyl orthosilicate as reactants. The thermal analysis revealed the formation of succinates at 413–453 K and their decomposition to ferrites at 503–623 K. The rate constants for the decomposition of succinates to ferrites, calculated using the isotherms at 473, 523, 573 and 623 K, were used to determine the activation energy of each ferrite (NiFe₂O₄, Ni_0.3Co_0.7Fe₂O₄, Ni_0.7Co_0.3Fe₂O₄ and CoFe₂O₄) embedded in the silica matrix. By increasing the Ni content in the mixed Ni–Co ferrites, the activation energy decreases from 13.530 to 1.944 kJ mol^?1. The formation and decomposition of succinate precursors and the formation of silica matrix were confirmed by FT-IR spectroscopy, while the formation of CoFe₂O₄ and NiFe₂O₄ single-phases embedded in the silica matrix was confirmed by X-ray diffraction analysis. The nanocrystallites size decreases from 31.7 (CoFe₂O₄) to 18.5 nm (NiFe₂O₄). The optical band gap of mixed Co–Ni ferrites was significantly higher than that corresponding to CoFe₂O₄. The photocatalytic activity of the samples was evaluated against Rhodamine B under visible light. All the samples have photocatalytic activities, the best performance being obtained in the case of Ni_0.7Co_0.3Fe₂O₄.

     

Review on synthesis methods to obtain LiMn2O4-based cathode materials for Li-ion batteries

Journal of Solid State Electrochemistry - Lithium manganese spinel (LiMn2O4) is considered a promising cathode material for lithium-ion batteries (LIBs). Its structure, morphology, and...     

Correction to: Effect of varying biogas mass flow rate on performance and emission characteristics of a diesel engine fuelled with blends of n‑butanol and diesel

Journal of Thermal Analysis and Calorimetry - In the original publication of the article, Figs. 6 and 7 were published incorrectly without test fuel D80/nb20+BG (0.5 kg/h).     

The thermodynamic characteristics of dissolution and solvation of cetyltrimethylammonium perchlorate in the water-propan-2-ol system

The solubility of cetyltrimethylammonium perchlorate (CTAP) in propan-2-ol and its mixtures with water was determined by the isothermal saturation method over the whole composition range at 278.15–308.15 K. The solubility products and total standard Gibbs energies of transfer of the n-C₁₆H₃₃N(CH₃) ₃ ⁺ and ClO ₄ ^? ions were calculated. The solubility of CTAP in the mixed solvent specified was substantially influenced by solvophilic effects and the heterosolvation of ions caused by them.     

Thermal behavior of Co<Subscript>x</Subscript>Fe<Subscript>3−x</Subscript>O<Subscript>4</Subscript>/SiO<Subscript>2</Subscript> nanocomposites obtained by a modified sol–gel method

The thermal behavior of Co_xFe_3?xO₄/SiO₂ nanocomposites obtained by direct synthesis starting from nonahydrate ferric nitrate and hexahydrate cobalt nitrate in different ratios with and without the addition of 1,4-butanediol was studied. For the synthesis of Co_xFe_3?xO₄ (x = 0.5–2.5) dispersed in the silica matrix a wide Co/Fe molar ratio was used. The decomposition processes, formation of crystalline phases, gases evolvement and mass changes during gels annealing at different temperatures were assessed by thermal analysis. The absence of succinate precursor and a low mass loss were observed in the case of the gel obtained in the absence of 1,4-butanediol. In case of gels obtained using a stoichiometric ratio of Co/Fe, no clear delimitation between Co and Fe succinates was observed, while for samples with a Fe or Co excess, the formation of the two succinates was observed. The evolution of the crystalline phase after annealing (673, 973 and 1273 K) investigated by X-ray diffraction analysis and Fourier transformed infrared spectrometry revealed that in samples with Fe excess, stoichiometric Fe/Co ratio or low Co excess, the cobalt ferrite (CoFe₂O₄) was obtained as a single phase, while in samples with higher cobalt excess, olivine (Co₂SiO₄) as a main phase, cobalt oxide and CoFe₂O₄ as secondary phases were obtained after annealing at 1273 K. The SEM images confirmed the nanoparticles embedding in the silica matrix, while the TEM and X-ray diffraction data showed that the obtained nanoparticles’ size was below 10 nm in most samples.     

Surface UV aging of elastomers investigated with microscopic resolution by single-sided NMR

Depth profiles taken from the surface of UV irradiated natural rubber sheets have been measured with microscopic resolution using a Profile NMR-MOUSE. An NMR observable related to the sum of the spin echoes in the Carr-Purcell-Meiboom-Gill pulse sequence was used to characterize the cross-link density changes produced by the action of UV radiation in each sheet. The aging process was investigated as function of irradiation time and penetration depth. An exponential attenuation law with a space dependent absorption coefficient describes the change in the NMR observable with penetration depth. An Avrami model is used to describe the dependence of the absorption coefficient on the aging time. The method can be applied to investigate the effect of various aging agents on the surfaces of elastomers.     

Effect of boron concentration on the magnetic properties of (FeCoNi) 100−xBx (x=15 and 20 wt%) nanowire arrays

The Fe_14.5Co_16.5Ni₅₅B₁₅ and the Fe₁₃Co_15.5Ni_51.5B₂₀ ferromagnetic nanowires were deposited using the electrochemical deposition method. The structure of these nanowires was investigated using X-ray diffraction. Squid magnetometer was used to investigate the magnetic behavior. The hysteresis loops of 50 μm long nanowire arrays were studied as a function of boron concentration, nanowire diameter and field orientation. The competition between shape anisotropy and magnetostatic interactions played a vital role in determining the magnetic field necessary to saturate an array. The decrease in coercive field (H_c) and the squareness (SQ) of the hysteresis loop from 100 to 200 nm wire diameter for both types of compositions suggests the formation of multidomains in the nanowire.     

Reconstruction of atomistic details from coarse‐grained structures

We present an algorithm to reconstruct atomistic structures from their corresponding coarse‐grained (CG) representations and its implementation into the freely available molecular dynamics (MD) program package GROMACS. The central part of the algorithm is a simulated annealing MD simulation in which the CG and atomistic structures are coupled via restraints. A number of examples demonstrate the application of the reconstruction procedure to obtain low‐energy atomistic structural ensembles from their CG counterparts. We reconstructed individual molecules in vacuo (NCQ tripeptide, dipalmitoylphosphatidylcholine, and cholesterol), bulk water, and a WALP transmembrane peptide embedded in a solvated lipid bilayer. The first examples serve to optimize the parameters for the reconstruction procedure, whereas the latter examples illustrate the applicability to condensed‐phase biomolecular systems. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010