Vibrational study of hydrogen bonding and structural disorder in Na2H(SO4)2, K3H(SO4)2 and (NH4)3H(SO4)2 crystals

Infrared and Raman spectra on Na₃H(SO₄)₂, K₃ H(SO₄)₂ and (NH₄)₃ H(SO₄)₂ crystals have been investigated at 300 and 100 K in the 4000 to 30 cm⁻¹ region. An assignment of bands in terms of OH group frequencies and more or less distorted tetrahedra of ammonium and sulphate ions is given. The crystallographic and spectroscopic symmetry and/or dissymetry of OHO hydrogen bonds linking sulphate ions into dimers is discussed using OH group frequencies and the splitting of the v₁ (SO₄) Raman bands as criteria. In the particular case of (NH₄)₃H(SO₄)₁ compound containing several solid phases it can be shown that the room temperature phase (II) is strongly disordered, principally because of an orientational disorder of ammonium ions, and that a progressive ordering takes place with temperature lowering.     

Crystal structure of triethylentetraammonium bis monohydrogenmonophosphate dihydrate, [NH3(CH2)2NH2(CH2)2NH2(CH2)2NH3](HPO4)2 · 2H2O

The salt triethylentetraammonium bis monohydrogenmonophosphate dihydrate is monoclinic with the following unit cell dimensions: a = 8.462(1), b = 10.500(1), c = 9.520 Å, = 99.297(1)°, space group P2₁/n with Z = 2. The structure was solved by the Patterson method and refined to final R value of 0.043 for 1590 independent reflections. The structure consists of infinite parallel two-dimensional [ 01] planes built of mutually connected ions and water molecules by strong O—H···O and N—H···O hydrogen bonding.     

Crystal structure of bis 4-benzyl piperidinium bis dihydrogenmonophosphate trihydrogenmonophosphate

The salt bis 4-benzyl piperidinium bis dihydrogenmonophosphate trihydrogenmonophosphate (bis 4-BPP bis DPT) is monoclinic with the following unit cell dimensions: a = 13.132(2) Å, b = 8.755(2) Å, c = 13.643(2) Å, β = 92.40(2)°, space group P2₁ with Z = 2. The structure was solved by the Patterson method and refined to final R value of 0.0430. The structure consists of infinite parallel two-dimensional planes built of mutually H₂PO₄ ⁻, H₃PO₄ tetrahedra and cations connected by strong O–H···O and N–H···O hydrogen bonding. There are no contacts other than van der Waals interactions between the layers.     

The effect of inorganic and organic macromolecular structures on the performance of metallocene polymerization catalysts

After a short comparative analysis of different macromolecular ligands reported in the relevant literature, the presentation will be centered on the results obtained in the authors' laboratory using structurally defined inorganic supports in terms also of their macromolecular structure. Zeolites and mesomorphous silica can link, after proper chemical modification of their surface with MAO, unmodified metallocene complexes through cage entrapment and weak interactions, thus allowing the transfer from the solution to the solid phase. The metallocene complexes in their new phase are characterized by the catalytic behavior in olefin polymerization after activation with MAO. A decrease of productivity is generally observed depending on the type of support. The steric hindrance provided by the support is evidenced by the depression of chain transfer rate with formation of higher molecular weight polymers. Also shape selectivity is observed during copolymerization of ethylene with α‐olefins having variable size. These steric effects are released when going from HY zeolite to MCM silica.     

Boundary Behaviour of Positive Solutions of Second-Order Parabolic Operators with Lower-Order Terms in a Half-Space

In this paper, we study the boundary behaviour of positive solutions of certain parabolic operators with lower order terms in a half-space. Basing on these results, we characterize the Martin boundary and show that any positive solution has an integral representation. We thus generalize to a large class of parabolic operators some results proved by Kaufman, Wu, Mair, and Taylor for the heat equation.     

Ranking efficient DMUs using the Tchebycheff norm

One problem that has been discussed frequently in data envelopment analysis (DEA) literature has been lack of discrimination in DEA applications, in particular when there are insufficient DMUs or the number of inputs and outputs is too high relative to the number of units. This is an additional reason for the growing interest in complete ranking techniques. In this paper a method for ranking extreme efficient decision making units (DMUs) is proposed. The method uses L_∞(or Tchebycheff) Norm, and it seems to have some superiority over other existing methods, because this method is able to remove the existing difficulties in some methods, such as Andersen and Petersen [2] (AP) that it is sometimes infeasible. The suggested model is always feasible.     

Synthesis and characterization of sulfamic acid supported on Fe3O4 nanoparticles: A green,versatile and magnetically separable acidic catalyst for oxidation reactions and Knoevenagel condensation

Sulfamic acid immobilized on diethylenetriamine functionalized Fe₃O₄ nanoparticles (SA‐DETA‐Fe₃O₄) was successfully prepared and characterized by X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FT‐IR), vibrating sample magnetometer (VSM), thermo gravimetric analysis (TGA), X‐Ray diffraction (XRD) and scanning electron microscopy (SEM). The sulfamic acid was found as a magnetically separable and highly active catalyst for the oxidative coupling thiols, oxidation of sulfides. Furthermore, the SA‐DETA‐Fe₃O₄ showed the high catalytic activity in Knoevenagel condensation of aromatic aldehydes with active methylene compounds (malononitrile and ethyl cynoacetate). The nanosolid catalyst could be easily recovered by a simple magnetic separation and reused for many cycles without deterioration in catalytic activity.     

A compromised multi-objective solution using fuzzy mixed integer goal programming for market-based short-term unit commitment problem

When implementing, the solution of single-objective unit commitment models may be dissatisfactory or inapplicable. This might mainly be due to not considering the secondary conflicting objectives from the policy-making in internal/external environment of generation companies in the developed models. To attain a practical compromised multi-objective solution for the short-term unit commitment in the deregulated hybrid markets, a novel fuzzy mixed integer linear goal programme is developed in which several complementary objectives with lower relative importances are also incorporated. Non-linear characteristic curves of the generating units are approximated through the piece-wise linear functions. The fuzzy approach is proposed to handle the imprecise nature of the goals’ target levels and priorities as well as some critical data. The critical aspects of power systems are considered in the model. The efficiency of the proposed approach is demonstrated using the experimental results inspired by a real case. The applicable nice feature of our model is that it can easily and efficiently be matched with a various line of unit commitment problems.