Magneto-volume effects in Fe–Cu solid solutions

The magnetic properties of Fe–Cu metastable solid solutions have been investigated by means of neutron diffraction and magnetisation measurements. These compounds exhibit ferromagnetic order with Curie temperatures above room temperature for concentrations beyond 40 at% in Fe. The magnetic moment at 5 K can reach values over 2 μ_B, while the high field susceptibility is similar to that found in FCC–FeNi Invar alloys. These features together with the low values for the linear coefficient for thermal expansion in the ferromagnetic region suggest that magneto-volume anomalies, including Invar behaviour, play a major role in the magnetic properties of this system when the crystal structure is face centred cubic. Such behaviour could be explained using theoretical total-band energy calculations.     

Crystal chemistry of AB2X4 (X = S,Se, Te) compounds

An attempt is made to correlate the crystal structures of ternary chalcogenides of composition AB₂X₄ with the cationic radius ratio and a pseudo force-constant involving their electronegativities. The resultant diagram adequately resolves structures based on the types K₂SO₄, monoclinic, olivine, MnY₂S₄, Th₃P₄, and CaFe₂O₄ but structure types based on spinel, Cr₃Se₄, and Ag₂HgI₄ are not resolved. Crystal chemical arguments are used to explain these observations and to advance reasons for the successes and failures of this method for predicting structure types.     

Synthesis and kinetics of polymerization of unsaturated monomers with OH groups in their structure: I.3-hydroxyneopentyl acrylate

The synthesis of new unsaturated monomers containing functional groups has been theoretically analyzed by considering a simple kinetic scheme. In the reactions between acetyl and acryloyl chloride with neopentylglycol, it was shown that the comparison between theoretical and experimental results, does not allow us to conclude that the two rate constants controlling the reactions are equivalent. Kinetic experiments of the polymerization of 3-hydroxyneopentyl acrylate were carried out in benzene and 1,4-dioxane solution at different temperatures. Dilatometric techniques and nonlinear least-squares methods were used to obtain kinetic data and to determine the kinetic constants, respectively. The values of $k_p /k_t^{1/2}$ for this monomer were found higher in dioxane than in benzene due, probably, to the fact that in the last solvent the polymerization is heterogeneous. The activation energy, determined by using different values of $k_p /k_t^{1/2}$ was found 7.6 kcal/mol. The stereostructure of the polymers derived from 3-hydroxyneopentyl acrylate and 3-acetoxyneopentyl acrylate was determined by ¹³C-NMR spectroscopy from the analysis of the resonance signals belonging to the carbonyl groups, obtaining values for the fraction of isotactic dyads in the range 0.36 ± 0.03 for both polymers. Finally, the glass transition temperatures of both polymers, determined calorimetrically, were found 281 and 255 K, respectively. © 1994 John Wiley & Sons, Inc.     

The nature of active sites in Ba(OH)2 catalyst

A general and repetitive method to determine the base strength and number of basic sites of catalysts with low surface area is reported. The nature of the titrating agent is discussed. The nature of the active sites of a Ba(OH)₂ catalyst with low surface area is discussed.

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. . Ba(OH)₂, .

     

Estimation of the Nitta-Chao Parameters for the ether-group. Ether + n-alkane mixtures

In this work we have estimated the structural and interactional parameters of the ether- group for the group-contribution model of Nitta-Chao using a extensive experimental database of thermodynamic properties of ethers (monoethers, polyethers and acetals) and ether + n-alkane and ether + ether mixtures. The results obtained by Nitta-Chao model with this parameters get closer to the experimental values than those obtained with parameters of Eckart et al. (1986). The thermodynamic properties obtained by the Nitta-Chao model with old and new parameters were compared to predictions by other models such as Flory (1965) theory, DISQUAC (Kehiaian, 1977) model and UNIFAC model (versions of Dang and Tassios, 1986, and Larsen et al., 1987).     

Diffuse-reflectance Fourier transform-infrared spectroscopic microanalysis of the flavonolignans

Diffuse-reflectance Fourier transform-infrared spectroscopic (DRIFT) microanalysis (10 g samples) of a selected series of flavonoids was studied, comparing to transmission FT-IR spectroscopic analysis of the same samples at the mg level. DRIFT was shown to be a useful, sample-saving and reliable IR technique for the structural analysis and compound identification of the mainSilybum genus 3-OH-flavonolignans (silybin, isosilybin, silydianin, silychristin and isosilychristin) and the dihydroflavonol taxifolin.     

A multineuron interaction model for neural networks

A multineuron interaction model (RS model) with an energy function given by the product of the squared distances in phase space between the state of the net and the stored patterns is studied in detail within a mean-field approach. Two limits are considered: when the patterns and antipatterns are stored (as in the Hopfield model), PAS case, and when only the patterns are taken into account, OPS case. TheT=0 solutions for the proper memories are exactly obtained for all finite values of, as a consequence of the energy function: whenever one of the overlaps is exactly one the corresponding equations decouple and no configuration average is required. Special interest is focused on the OPS situation, which presents a peculiar phase space topology. On the other hand, the PAS configuration recovers the Hopfield model in the appropriate limit, while keeping associative memory abilities far beyond the critical values of other models when the full Hamiltonian is considered.