Thermodynamic behaviour of some glycol—water mixtures. Excess and partial volumes

Densities of water—glycol (mono- di-, tri- and tetraethyleneglycol) mixtures have been measured over the entire composition range at 298. 15 K. Mixtures involving monoethyleneglycol (MEG) have also been studied at different temperatures from 308.15 to 288.15 K. Deviations, V^E, from ideal volumes of mixing have been calculated: negative values are observed for all systems. They increase with the number of ether functions present in the organic molecule; a slight dependence of V^E towards temperature has been shown in the water—MEG mixtures. Partial molal volumes have also been calculated for both components of each system; they exhibit an extremum in the water-rich region.     

The gas phase structures of the isomers of benzene: IV. Hexafluoro-dewar-benzene

Gas phase electron diffraction data for HFDB were analyzed, following conventional procedures, and a structure was deduced for the perfluoro-bicyclo-[2.2.0]hexa-2,5-diene consistent with its C_2v symmetry. A least squares analysis of the molecular scattering function gave the following r_g values: [-C-C-] = 1.597 ± 0.006 Å, [C-C-] = 1.503 ± 0.002 Å, [-C-C-] = 1.356 ± 0.007 Å, [-C-F](bridge) = 1.331 ± 0.008 Å, [-C-F] (terminal) = 1.323 ± 0.004 Å. The flap angle between the rings is 115.3( ± .7)°. The terminal fluorines are in the planes of the corresponding rings.The most notable feature of the structure is the long C-C bridge bond, which was also observed in hexamethyl-Dewar-benzene. The geometrical features of HFDB are compared with corresponding ones in HMDB, and with perfluoro- cyclobutene as well as with theoretical estimates.     

Best bounds on the distance between 3-direction quartic box spline surface and its control net

We present the best bounds on the distance between 3-direction quartic box spline surface patch and its control net by means of analysis and computing for the basis functions of 3-direction quartic box spline surface. Both the local bounds and the global bounds are given by the maximum norm of the first differences or second differences or mixed differences of the control points of the surface patch.     

Structural Phase Transition and the Dielectric Permittivity of the Model Lipid Bilayer [(CH2)12(NH3)2]CuCl4

Structural phase transitions in the lipid-like bilayer material [(CH₂)₁₂(NH₃)₂]CuCl₄ have been observed using differential thermal scanning. The compound shows an irreversible thermochromic transition at ? 465 K and three reversible transitions at T ₁ = 433 ± 4 K and T ₂ = 411 ± 2 K and T ₃ = 358 K. The transition at 350 K is ascribed to chain melting. The other two correspond to crystalline phase transformation.

Phase (IV) T₃ = 358 ± 2K Phase (III) T₂ = 411 ± 2K Phase (II) T₁ = 433 ± 4K Phase (I)

Dielectric permittivity is studied as a function of temperature in the range 300-440 K and frequency, range (60 Hz-100 kHz). It confirms the observed transitions. The dielectric permittivity reflects rotational and conformational transitions for the compound. The variation of the real part of the conductivity with temperature is thermally activated in the temperature range above 350 K, with frequency-dependent activation energy, the values of activation energy lie in the range of ionic hopping. The dependence of the conductivity on frequency follows the universal power law σ = σ₀ + A(T) ω ^{s ( T )} with 0<s<1. Comparison of this material with other members of the series is discussed     

A review of recent advances in catalytic combustion of VOCs on perovskite-type catalysts

Along with the rapid development of industry, VOCs gradually move into the spotlight, and now become a kind of harmful environmental pollutants that cannot be overlooked. This paper introduces the hazards of VOCs and the common catalytic combustion catalysts, noble metal catalysts and non-noble metal catalysts, for the elimination of VOCs. Perovskite catalysts, as one of the non-noble catalysts, play an important role in the field of catalytic combustion in recent years. According to the classification of elements doping in perovskites, the research achievements in the past five years were analyzed and reviewed. In addition, this paper also analyzes and elaborates the reaction kinetics and QSAR/QSPR models for the introduction of structural properties and reaction mechanisms.     

本刊英文版Vol.30(2014),No.9论文摘要(英文)

<正>Least Number of Periodic Points of Self-maps of Lie Groups Jerzy JEZIERSKI Abstract There are two algebraic lower bounds of the number of n-periodic points of a self-map f:M→M of a compact smooth manifold of dimension at least 3:NF_n(f)=min{#Fix(g~n);g~f;g is continuous}and NJD_n(f)=min{#Fix(g~n);g~f;g is smooth}.In general,NJD_n(f)may be much greater than NF_n(f).If M is a torus,then the invariants are     

Solvent free,light induced 1,2-bromine shift reaction of α-bromo ketones

Photolysis of α-bromopropiophenones in acetonitrile results in formation of β-bromopropiophenones with good product selectivity, which can be coined as 1,2-Br shift reaction. The product selectivity increases when the reaction is done in neat or solid state, where only the 1,2-Br shift product is formed in some cases. The reaction is suggested to proceed by CBr bond homolysis to give a radical pair, followed by disproportionation and conjugate addition of HBr to the α,β-unsaturated ketone intermediate. When the unsaturated intermediate is stabilized by an extra conjugation, the reaction stops at the stage, in which the unsaturated ketone becomes a major product. The synthetic method described in this research fits in a category of eco-friendly organic synthesis nicely since the reaction does not use volatile organic solvents and any other additives such as acid, base or metal catalysts, etc. Besides, the method fits into perfect atom economy, which does not give any side products. The synthetic method should find much advantage over other alternative methods to obtain β-bromo carbonyl compounds.     

Polyboxes,Cube Tilings and Rigidity

A non-empty subset A of X=X ₁×???×X _d is a (proper) box if A=A ₁×???×A _d and A _i ?X _i for each i. Suppose that for each pair of boxes A, B and each i, one can only know which of the three states takes place: A _i =B _i , A _i =X _i ?B _i , A _i ?{B _i ,X _i ?B _i }. Let F and G be two systems of disjoint boxes. Can one decide whether ∪F=∪G? In general, the answer is ‘no’, but as is shown in the paper, it is ‘yes’ if both systems consist of pairwise dichotomous boxes. (Boxes A, B are dichotomous if there is i such that A _i =X _i ?B _i .) Several criteria that enable to compare such systems are collected. The paper includes also rigidity results, which say what assumptions have to be imposed on F to ensure that ∪F=∪G implies F=G. As an application, the rigidity conjecture for 2-extremal cube tilings of Lagarias and Shor is verified.     

具有无界变差的连续函数研究进展

讨论了具有无界变差的连续函数的结构.首先按照局部结构和分形维数对连续函数进行了分类,给出了相应的例子.对这些具有无界变差的函数的性质进行了初步的讨论.对于新定义的奇异连续函数,给出了一个等价判别定理.基于奇异连续函数,又给出了局部分形函数和分形函数的定义.同时,分形函数又由奇异分形函数、非正则分形函数和正则分形函数组成.相应于不连续函数的情形也进行了简单的讨论.