NEURAL-NETWORK-AIDED DESIGN OF AUTOMOBILE EXHAUST CATALYSTS

A priori design of catalysts is not yet possible. Such task would demand unavailable scientific knowledge of the correlations among synthesis parameters and resulting solid state and surface structures, on the one hand, and among those atomic-level structural details and their catalytic functions, on the other hand. To avoid testing every possible combination, therefore, the applied chemist or chemical engineer must identify empirical correlations underlying the existing experimental data base.

The ability of artificial neural networks to identify complex correlations and to predict the result of experiments has recently generated considerable interest in various areas of science and engineering. In this paper, neural networks are used to identify composition-performance relationships in automobile exhaust catalysts.

This work employs an artificial neural network technique to do a sensitivity analysis of the conversions of pollutant gases as a function of the catalyst composition and the operating conditions. This approach converges on the optimum catalyst composition and operating condition in order to produce specified conversions of carbon monoxide, hydrocarbons and nitrogen oxides, to carbon dioxide, water and di-nitrogen respectively.     

Vulcanization behavior and mechanical properties of organoclay fluoroelastomer nanocomposites

The vulcanization behavior and mechanical properties of clay/fluoroelastomer nanocomposites produced by melt‐mixing of Dyneon FPO 3741 (a terpolymer of vinylidene fluoride, hexafluoropropylene, and tetrafluoroethylene) with 10 phr of unmodified montmorillonite (CloisiteNA) or di(hydrogenated tallow‐alkyl) dimethyl ammonium‐modified montmorillonites (Cloisite15A and Cloisite20A) were studied. The properties of clay/FKM nanocomposites were compared with composites prepared using 10 and 30 phr of carbon black. The effects of clay surfactant and surfactant concentration on the vulcanization behavior, mechanical, and dynamical properties of peroxide cured composites were studied. XRD results of cured composites showed a decrease in d‐spacing and indicated deintercalation of the clays after the vulcanization process. It was also found that organoclays retard the FKM peroxide vulcanization process. Significantly, higher maximum torque on vulcanization was obtained with organoclays versus unmodified clay and carbon black. Although the morphologies of organoclay/FKM nanocomposites studied by XRD and TEM suggest similar intercalated/exfoliated structures, the organoclay with the lowest concentration of surfactant (95 meq/100 g clay) resulted in the highest increase in torque, modulus, hardness, and tear strength in the clay/FKM nanocomposites. It was also found that organoclays can increase both the hydrodynamic reinforcement and hysteresis loss of FKM nanocomposites. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011     

Self‐assembled centimetre‐sized rods obtained in the oxidation of o‐phenylenediamine and aniline

Morphologically well‐defined rods of approximately 1 cm in length are effectively and economically obtained by mixing ortho‐phenylenediamine (30 mmol L^?1) with ammonium persulfate (12.5 mmol L^?1) in an acidic solution (0.37 mol L^?1 HCl) at room temperature with and without the presence of 50 mmol L^?1 aniline. These self‐assembled, morphologically uniform products can be potentially scaled up and used as morphological templates to fabricate well‐defined structures of other materials such as conducting polymers. The products were characterized using Raman, UV‐visible, high‐resolution NMR (¹H and ¹³C) and mass spectroscopies, X‐ray diffraction, scanning electron microscopy and elemental analysis. Apart from certain differences in visual appearance and in X‐ray diffractograms, other analytical data suggest that there are no structural changes upon addition of aniline into the reaction mixture. NMR and mass spectra imply that all syntheses carried out either with or without aniline result in a mixture of two products, attributed to 2,3‐phenazinediamine and 3‐aminophenazin‐2‐ol. A formation mechanism based on hydrogen bonding and π–π stacking has been proposed. © 2015 Society of Chemical Industry     

Validity of sequential bootstrap for subcritical and critical branching processes

Sequential bootstrapping for branching processes with immigration is proposed. The asymptotic validity of a sequential bootstrap estimator of the offspring mean in is estabilished for all values of m ? (0, 1]. This result is to be constrasted with the standard (non-sequential)bootstrapping where the bootstrap estimator estimator has been shown to asymptotically invalid (see, Sriram (1992)).     

Decoloration of acid dye effluent with ozone: effect of pH, salt concentration and treatment time

A study of the ozone treatment of textile effluent containing acid dyes has been carried out to explore the influence of their chemistry, and the pH, salt concentration, ozone dose and time of treatment. The experiments were constructed using a Box-Hunter second-order composite design for three variables. The study has demonstrated that the type of aromatic rings and the number of sulphonic acid groups in the dye have a marked effect on decoloration. The pH, salt concentration and treatment time are also found to have a predictable influence. The ozone oxidation of acid dye effluent results in a reduction in pH and total organic carbon content.     

Novel Short-chain Crosslinked Cationomeric Polyurethanes

Summary Novel PUs containing pyridinium moieties were synthesized by chain extending isocyanate endcapped prepolymers with N, N’-bis (2-hydroxyethyl) isonicotinamide. The pyridinium moieties in the PUs were chemically crosslinked using short-chain divalent quaternising agents. The polyurethane cationomers were characterized by spectral, thermal and mechanical analysis. Spectral results confirmed the quaternisation of tertiary nitrogen leading to crosslinking. Compared to conventional PUs, the crosslinked PU networks exhibited improved thermal stability. The damping value (i.e.) tan δ for cationomers were improved over a broad temperature range when compared to conventional PU.     

Crystallization of Zircon in Stoneware Glazes

High levels of zircon are required to impart opacity in glazes. Zircon additions of <3 wt% dissolve into the glassy phase; additions of >12% cause all the zircon to crystallize from the glaze. Dynamic high-temperature X-ray diffraction has shown that, during heating, a portion of the zircon dissolves and subsequently recrystallizes, using undissolved zircon crystals as seeds. This recrystallization does not occur at lesser zircon levels, because of a lack of seed crystals. When zirconia is added to the glaze, zircon is formed as elongated crystals at the glaze surface. Lesser zircon levels have been observed in the glazes that have zirconia additions.     

Analysis of crossed van't Hoff metal hydride based heat pump

In this paper, the operating feasibility of a single-stage metal based hydride heat pump (SS-MHHP) working on the principle of crossed van't Hoff line concept is presented. The performance of the system is predicted by solving the unsteady, two-dimensional mathematical model in an annular cylindrical configuration employing two different hydride alloy pairs, namely, V_0.846Ti_0.104Fe_0.05/Fe_0.9Mn_0.1Ti and V_0.855Ti_0.095Fe_0.05/MmNi_4.7Al_0.3 (regeneration alloy/refrigeration alloy). The influences of heat source (T_H) and refrigeration (T_C) temperatures on the amount of hydrogen transferred between the paired reactors, coefficient of performance (COP) and specific cooling power (SCP) of the crossed van't Hoff SS-MHHP system are studied. Within the selected ranges of operating temperatures, the COP of the crossed van't Hoff SS-MHHP is about 60% higher than the conventional single-stage MHHP. The optimum operating temperatures of V_0.846Ti_0.104Fe_0.05/Fe_0.9Mn_0.1Ti and V_0.855Ti_0.095Fe_0.05/MmNi_4.7Al_0.3 combinations are found to be 373/303/291 K and 400/303/283 K (heat source/heat sink/refrigeration temperatures), respectively. At the optimum operating temperatures, the COP and SCP of the V_0.846Ti_0.104Fe_0.05/Fe_0.9Mn_0.1Ti and V_0.855Ti_0.095Fe_0.05/MmNi_4.7Al_0.3 combinations are 0.89 and 30.8 W/kg of total mass and 0.86 and 30.3 W/kg of total mass, respectively.     

Processing, physical and thermal properties of BlackglasTM matrix composites reinforced with NextelTM fabric

The cure and pyrolysis behavior of a BlackglasTM resin and NextelTM 440 impregnated with BlackglasTM resin were studied. Cure of the BlackglasTM resin is an exothermic process and DSC studies indicate that with an increase of catalyst content from 0.1 to 1.0%, the onset and peak temperature of cure are decreased coupled with an increase in the enthalpy of cure indicating a greater extent of cross linking. However, pyrolysis char yield of the pyrolyzate is relatively insensitive to cure conditions.Cure pressure and pyrolysis environment are variables in the processing of BlackglasTM matrix composite reinforced with NextelTM 440 Plain weave fabric. Variations in cure pressure from 30 to 80 psi had no discernible effect on the chemistry of the pryrolyzate. However, the higher cure pressure resulted in top and bottom ply damage. Pyrolysis in an Ar environment resulted in incorporationj of up to 12 wt % C of which 8 wt % as graphitic in nature in the ceramic matrix. Pyrolysis in NH3 resulted in 3.9 wt % nitrogen and 1.5 wt % carbon in the matrix, with all the nitrogen and carbon bonded to Si. The cured panels have to be pyrolyzed/densified between 6–7 times to achieve required density and porosity content. Oxidation behavior of the composites at 1000°C indicate that the argon pyrolyzed CMC's lose more weight due to decomposition of the pyrolytic carbon, whereas, NH3 pyrolyzed CMC's are stable as both the N and C are bonded to Si in the matrix. Dielectric constants K and K measured at 1 GHz in the as-processed condition are high in the argon pyrolyzed CMC, (K = 11–28) due to the presence of pyrolytic carbon. On the other hand NH3 pyrolyzed CMC exhibit low dielectric constant (K = 4). On oxidation, the dielectric constant in both the Ar and NH3 pyrolyzed panels is approximately 4.0.