{X,Y}-Cyclacene Graphs with Next Nearest Neighbor Interactions

Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions.     

Real-Time Ultrasonic Monitoring of the Vulcanization Process in Nitrile Rubbers

Russian Journal of Nondestructive Testing - Nitrile rubbers, also known as Nitrile-Butadiene rubbers, belong to the category of synthetic rubbers and are a better choice as materials for...     

Kinetic analysis of magnesium aluminate spinel formation: Effect of MgO:Al2O3 ratio and titania dopant

The mechanistic pathway of MgO-Al₂O₃ reaction in solid state to form MgAl₂O₄ spinel was investigated to correlate the kinetic parameters with ratio of reactants (MgO:Al₂O₃) and with the presence of a doping agent, TiO₂. The time-temperature-expansion data of oxide compacts was analyzed using several model free analyses and model based (linear and non-linear) kinetic algorithms. These indicated that spinel formation process can be best described by single step with n-dimensional Avrami equation for every MgO:Al₂O₃ ratio, irrespective of titania dopant. The activation energy (E_a) of the process was proportional to % spinel formed in each system and validated with quantitative XRD analysis. The higher value of Avrami coefficient (n) in 90 wt% Al₂O₃ compositions has been explained with geometric considerations of powder packing. Incorporations of 1% TiO₂ in the MgO: Al₂O₃ oxide compact did not markedly affect the reaction model, frequency factor and Activation energy.     

Possibility to Use Hydrothermally Synthesized CuFeS<Subscript>2</Subscript> Nanocomposite as an Acceptor in Hybrid Solar Cell

Here we have approached the plausible use of CuFeS₂ nanocomposite as an acceptor in organic–inorganic hybrid solar cell. To produce CuFeS₂ nanocomposite, hydrothermal strategy was employed. The room-temperature XRD pattern approves the synthesized material as CuFeS₂ with no phase impurity (JCPDS Card no: 37-0471). The elemental composition of the material was analyzed from the TEM-EDX data. The obtained selected area electron diffraction (SAED) planes harmonized with the XRD pattern of the synthesized product. Optical band gap (4.14 eV) of the composite from UV–Vis analysis depicts that the synthesized material is belonging to wide band gap semiconductor family. The HOMO (? 6.97 eV) and LUMO (? 2.93 eV) positions from electrochemical study reveal that there is a possibility of electron transfer from MEH-PPV to CuFeS₂. The optical absorption and photoluminescence spectra of MEH-PPV:CuFeS₂ (donor:acceptor) composite were recorded sequentially by varying weight ratios. The monotonic blue shifting of the absorption peak position indicated the interaction between donor and acceptor materials. The possibility of electron transfer from donor (MEH-PPV) to acceptor (CuFeS₂) was approved with photoluminescence analysis. Subsequently, we have fabricated a hybrid solar cell by incorporating CuFeS₂ nanocomposite with MEH-PPV in open atmosphere and obtained 0.3% power conversion efficiency.     

Zincated Nanoclay Polymer Composites (ZNCPCs): Synthesis,Characterization, Biodegradation and Controlled Release Behaviour in Soil

Novel zincated nanoclay polymer composites (ZNCPCs) with variable percentage of commercial bentonite and nanobentonite (8%, 10% and 12% of monomer for each case) were synthesized. Polyacrylic acid-Polyacrylamide copolymer was synthesized using N, N-Methylene bisacrylamide as crosslinker and ammonium persulfate as initiator. Clays as well as ZNCPCs were characterized by XRD, SEM, TEM and FTIR. 12% nanoclay containing formulation showed slowest release rate. ZNCPCs containing 8% clay recorded highest Zn content as well as highest equilibrium water absorbency. Biodegradation study revealed that Aspergillus spp was more effective as compared with Trichoderma spp in degradation of ZNCPCs.     

Buckling and dynamic instability analysis of stiffened shell panels

The static and dynamic instability characteristics of stiffened shell panels subjected to uniform in-plane harmonic edge loading are investigated in this paper. The eight-noded isoparametric degenerated shell element and a compatible three-noded curved beam element are used to model the shell panels and the stiffeners, respectively. As the usual formulation of degenerated beam element is found to overestimate the torsional rigidity, an attempt has been made to reformulate it in an efficient manner. Moreover, the new formulation for the beam element requires five degrees of freedom per node as that of shell element. The method of Hill's infinite determinant is applied to analyze the dynamic instability regions. Numerical results are presented through convergence and comparison with the published results from the literature. The effect of various parameters like shell geometry, stiffening scheme, static and dynamic load factors, stiffener size and position, and boundary conditions are considered in buckling and dynamic instability analysis of stiffened panels subjected to uniform in-plane harmonic loads along the boundaries.     

Kinetic modelling and microbial community assessment of anaerobic biphasic fixed film bioreactor treating distillery spent wash

Anaerobic digestion, microbial community structure and kinetics were studied in a biphasic continuously fed, upflow anaerobic fixed film reactor treating high strength distillery wastewater. Treatment efficiency of the bioreactor was investigated at different hydraulic retention times (HRT) and organic loading rates (OLR 5-20 kg COD m⁻³ d⁻¹). Applying the modified Stover-Kincannon model to the reactor, the maximum removal rate constant (U_max) and saturation value constant (K_B) were found to be 2 kg m⁻³ d⁻¹ and 1.69 kg m⁻³ d⁻¹ respectively. Bacterial community structures of acidogenic and methanogenic reactors were assessed using culture-independent analyses. Sequencing of 16S rRNA genes exhibited a total of 123 distinct operational taxonomic units (OTUs) comprising 49 from acidogenic reactor and 74 (28 of eubacteria and 46 of archaea) from methanogenic reactor. The findings reveal the role of Lactobacillus sp. (Firmicutes) as dominant acid producing organisms in acidogenic reactor and Methanoculleus sp. (Euryarchaeotes) as foremost methanogens in methanogenic reactor.