Shelf-Life Studies on B-Stage Novolac Epoxy Glass Mica Tapes

Activation energy for the curing process of epoxy glass mica tape has been experimentally determined from differential scanning calorimetric measurements and found to be 20 kcal/ mol. Thermochemical calculation shows that the rate controlling step is the dissociation of the C-O bond in the epoxide leading to ring opening and its subsequent reaction with amine hardener. Shelf life has been determined from the measurement of the enthalpy loss corresponding to the curing during the aging process. The kinetics of the aging process also yields an activation energy of 20 kcal/mol which corresponds to the slow curing of the epoxy resin.     

Study of the Effect of the Interaction Between Kaolin and Surfactant Blend (AOS: APG C12) on the Solubility,Dispersibility, and Wetting Property of the Pesticide Granule

The extensive use of pesticides in agriculture in particular herbicides is a serious environmental threat. There is an urgent need to develop pesticide formulation that combines optimum bioactivity and minimum dosage. In the present article an attempt has been made to design granular formulation of one of the most commonly used herbicide, atrazine (AT). This potent herbicide along with kaolin as the carrier and suitable clay modifiers can be thought as one of the potential way of formulation keeping in view the desired dosage and bioavailability of the same. The process of granule formulation was carried out using the principle of rapid mix granulation. These granule formulations were then compared with the other formulation where the clay was not modified with the help of parameters such as dissolution rate, dispersion stability and wetting time. The study reveals a very positive effect of clay modifications on granules in terms of above mentioned quality parameters.     

Monte Carlo predictions of phase equilibria and structure for dimethyl ether + sulfur dioxide and dimethyl ether + carbon dioxide

A new force field for dimethyl ether (DME) based on the Lennard-Jones (LJ) 12-6 plus point charge functional form is presented in this work. This force field reproduces experimental saturated liquid and vapor densities, vapor pressures, heats of vaporization, and critical properties to within the statistical uncertainty of the combined experimental and simulation measurements for temperatures between the normal boiling and critical point. Critical parameters and normal boiling point are predicted to within 0.1% of experiment. This force field is used in grand canonical histogram reweighting Monte Carlo simulations to predict the pressure composition diagrams for the binary mixtures DME + SO(2) at 363.15 K and DME + CO(2) at 335.15 and 308.15 K. For the DME + SO(2) mixture, simulation is able to qualitatively reproduce the minimum pressure azeotropy observed experimentally for this mixture, but quantitative errors exist, suggesting that multibody effects may be important in this system. For the DME + CO(2) mixture, simulation is able to predict the pressure-composition behavior within 1% of experimental data. Simulations in the isobaric-isothermal ensemble are used to determine the microstructure of DME + SO(2) and DME + CO(2) mixtures. The DME + SO(2) shows weak pairing between DME and SO(2) molecules, while no specific pairing or aggregation is observed for mixtures of DME + CO(2).     

Structural Synthon Approach to Predict the Possible Polytypes of Layered Double Hydroxides

The complete universe of possible polytypes of layered double hydroxides (LDH) is predicted on the basis of symmetry arguments. A single [MX₂] (X = OH) layer, also defined as a structural synthon, belongs to the layer group P$\bar{3}$ 2/m1. These layers can be stacked in such a way as to conserve the unique 3‐axis of the layer in the resultant crystal. The different stacking sequences that facilitate symmetry conservation, yield the different possible polytypes of rhombohedral and hexagonal symmetries. More polytypes can be envisaged by including stacking sequences that systematically destroy the principal symmetry elements of the structural synthon. Thereby, stacking sequences that destroy the 3‐axis, while retaining the 2‐axis, yield possible polytypes of monoclinic symmetry. The nitrate‐containing LDH of zinc and aluminum crystallizes in a faulted structure in which, the planar faults are shown to arise on account of stacking sequences whose local symmetry is monoclinic. This approach to polytype prediction expands on an earlier reported method by Bookin and Drits and is very general with important implications for other classes of layered materials.     

CuI/l-proline-catalyzed selective one-step mono-acylation of styrenes and stilbenes

Vicinal di-oxygenation of styrene-type olefins was achieved with cheaper, less toxic CuI in the presence of l-proline as ligand and NaIO₄ as the oxidant. This approach provides a straightforward and efficient access to mono-acylated diols from both styrene and stilbene derivatives with good to excellent yields and diastereoselectivity.     

A continuous method for computing bounds in integer quadratic optimization problems

In the graph partitioning problem, as in other NP-hard problems, the problem of proving the existence of a cut of given size is easy and can be accomplished by exhibiting a solution with the correct value. On the other hand proving the non-existence of a cut better than a given value is very difficult. We consider the problem of maximizing a quadratic function x ^T Q x where Q is an n × n real symmetric matrix with x an n-dimensional vector constrained to be an element of {–1, 1} ⁿ . We had proposed a technique for obtaining upper bounds on solutions to the problem using a continuous approach in [4]. In this paper, we extend this method by using techniques of differential geometry.     

Phenoxide bridged tetranuclear Co(II), Ni(II), Cu(II) and Zn(II) complexes: Syntheses,characterization and fluorescence studies

A tetranucleating compartmental Schiff base ligand system has been derived from 2,6-diformyl-4-methylphenol, p-phenylenediamine and 2-aminomethylbenzimidazole. Phenoxide bridged later first row transition metal(II) complexes of this ligand have been prepared by conventional sequential route. Ligand and complexes were characterized by routine physicochemical characterizations. The mutual influence of metal centers in terms of cooperative effect on the electronic, magnetic, electrochemical and structural properties was investigated. The Schiff-bases exhibit fluorescence originating from intraligand (π→π?) transitions. Metal mediated fluorescence enhancement is observed on complexation with Zn(II), whereas metal mediated fluorescence quenching occurs in all other complexes.     

Investigation of third-order nonlinear optical properties of conjugated benzodioxal derivatives

An investigation of third-order nonlinear optical characterization of newly synthesized conjugated benzodioxal derivatives has been done by using nanosecond Z-scan technique at 532 nm. The molecules demonstrate self-defocusing effect with intensity dependent refractive index (n₂) of the order of 10⁻¹⁴ cm²/W. The measured molecular TPA cross-section is ranging from 2.47 ×10⁻⁴⁷ cm⁴ s/photon to 6.00 cm⁴ s/photon. Their input-output curves indicate that there is a clear optical power limiting behavior with the limiting threshold in the range 125-181 μJ. The main factor to exhibit the observed nonlinearity in these molecules is the presence of charge donor and acceptor groups. The increased conjugation length increases the nonlinear refraction and increased electron density enhances the nonlinear absorption. The molecules exhibit good nonlinear optical properties, comparable to those of regular azoaromatic compounds. Therefore, the molecules investigated here are promising candidates for optical power limiting devices.     

Electron energy loss spectroscopy (eels) of organic molecules in vapour phase: Design and fabrication of an indigenouseel spectrometer

An indigenous electron energy loss spectrometer has been designed and fabricated for the study of free molecules. The spectrometer enables the recording of low-resolution electronic spectra of molecules in the vapour phase with ready access to the vacuum ultraviolet region. Electron energy loss spectra of aliphatic alcohols and carbonyl compounds as well as of benzene derivatives have been recorded with the indigenous spectrometer and the electronic transitions in these molecules discussed. Contribution No. 274 from the Solid State and Structural Chemistry Unit, dedicated to Dr. Raja Ramanna on his 60th birthday.