Interactive effects of pore size control and carbonization temperatures on supercapacitive behaviors of porous carbon/carbon nanotube composites

Porous carbon-based electrodes were prepared by carbonization with poly(vinylidene fluoride) (PVDF)/carbon nanotube (CNT) composites to further increase the specific capacitance for supercapacitors. The specific capacitance, pore size distribution, and surface area of the PVDF/CNT composites were measured, and the effect of the carbonization temperatures was examined. The electrochemical properties were examined by cyclic voltammetry, impedance spectroscopy, and galvanostatic charge-discharge performance using a two-electrode system in TEABF(4) (tetraethylammonium tetrafluoroborate)/acetonitrile as a non-aqueous electrolyte. The highest specific capacitance of ～101 Fg(-1) was obtained for the samples carbonized at 600 °C. The pore size of the samples could be controlled to below 7 nm through the carbonization process. This suggests that micropores make a significant contribution to the specific capacitance due to improved charge transfer between the pores of the electrode materials and the electrolyte.     

Molecule‐specific determination of atomic polarizabilities with the polarizable atomic multipole model

Recently, many polarizable force fields have been devised to describe induction effects between molecules. In popular polarizable models based on induced dipole moments, atomic polarizabilities are the essential parameters and should be derived carefully. Here, we present a parameterization scheme for atomic polarizabilities using a minimization target function containing both molecular and atomic information. The main idea is to adopt reference data only from quantum chemical calculations, to perform atomic polarizability parameterizations even when relevant experimental data are scarce as in the case of electronically excited molecules. Specifically, our scheme assigns the atomic polarizabilities of any given molecule in such a way that its molecular polarizability tensor is well reproduced. We show that our scheme successfully works for various molecules in mimicking dipole responses not only in ground states but also in valence excited states. The electrostatic potential around a molecule with an externally perturbing nearby charge also exhibits a near‐quantitative agreement with the reference data from quantum chemical calculations. The limitation of the model with isotropic atoms is also discussed to examine the scope of its applicability. © 2012 Wiley Periodicals, Inc.     

Deflection criterion of a crack approaching a bi-material interface obliquely

Deflection criterion for oblique cracks terminating at a bi-material interface was established numerically based on a remote loading condition where the crack deflection event took place well within the K-dominant stress field. The criterion was described in terms of the ratio of the energy release rate of a deflected crack (G _d) to the maximum energy release rate of a penetrated crack (). The criterion was markedly more conservative than the existing solution based on wedge loading which did not converge with respect to limited number of a/L ratios in the literature (a is the size of the putative crack; L is the loading distance). Further, the criterion established herein for the cracks slightly oblique from the normal direction to the interface was more conservative than the crack normal to the interface.     

Multilayer model of interlayer spacing in graphite intercalation compounds

The elastic deformation of host layers is calculated by constructing a model where the host layers, regarded as continuous two-dimensional elastic sheets, are infinitely stacked and compressible intercalants, represented by harmonic springs, are intercalated into them. If we treat the intercalants as being rigid relative to the soft host layers in the stage-1 graphite intercalation compound, Li_xC₆ (0≤x≤1), the calculated average gallery spacing agrees well with the experiments, without using any adjustable parameter. Received: 14 April 2000 / Accepted: 17 April 2000 / Published online: 23 August 2000     

Photocatalytic Effects of Rutile Phase TiO2 Ultrafine Powder with High Specific Surface Area Obtained by a Homogeneous Precipitation Process at Low Temperatures

The photocatalytic characteristics of nanostructured TiO₂ ultrafine powder with rutile phase produced using the homogeneous precipitation process at low temperatures (HPPLT) were compared with those of commercial P-25 TiO₂ powder by flame hydrolysis. The TiO₂ powder by the HPPLT showed much higher photoactivity in the removal rate, showing lower pH values in the solution than the P-25 powder when eliminating metal ions such as Pb and Cu from the aqueous metal-EDTA solutions. This can be inferred as the more rapid photo-oxidation or -reduction of metal ions from the aqueous solution, together with relatively higher efficiencies in the use of an electron-hole pair formed on the surface of the TiO₂ particles under UV light irradiation. Also, in the view of the TiO₂ particle morphology, compared to the well-dispersed spherical P-25 particles, the agglomerated TiO₂ secondary particles by the HPPLT consist of acicular typed primary particles with a thickness in the range of 3–7 nm and the primary particles radialize in all directions, which would be more effective to photocatalytic reactions without the large electron-hole recombination on the surface of the TiO₂ particle under UV light irradiation. It can be, therefore, thought that the higher photoactivity of the rutile TiO₂ powder by the HPPLT in the aqueous solutions results mainly from having a larger surface area by the acicular shaped primary particles with very thin thickness and radialization in all directions.     

Numerical prediction of locally forced turbulent separated and reattaching flow

An unsteady numerical simulation was performed for locally forced separated and reattaching flow over a backward-facing step. The local forcing was given to the separated and reattaching flow by means of a sinusoidally oscillating jet from a separation line. A version of the k––f_μ model was employed, in which the near-wall behavior without reference to distance and the nonequilibrium effect in the recirculation region were incorporated. The Reynolds number based on the step height (H) was fixed at Re_H=33 000, and the forcing frequency was varied in the range 0St_H2. The predicted results were compared and validated with the experimental data of Chun and Chun. It was shown that the unsteady locally forced separated and reattaching flows are predicted reasonably well with the k––f_μ model. To characterize the large-scale vortex evolution due to the local forcing, numerical flow visualizations were carried out.     

Statistical medium formulation and process modeling by mixture design of experiment for peptide overexpression in recombinant Escherichia coli

The medium formulation and robust process modeling for anti-HIV peptide (T-20) production by recombinant Escherichia coli overexpression were studied by employing a crossed experimental design. The crossed design, a mixture design combined with process factor (induction duration), was used to find the optimal medium formulation and process time. The optimal settings for three major components, (7.75 mL of NPK sources, 5.5 mL of glucose, and 11.75 mL of MgSO₄) characterized by %T-20 (14.45%), the proportion of peptide to the total protein, were observed in a total of 100 mL of medium inducted at an optical density of 0.67 with 0.7 mM isopropyl-β-d-thiogalactopyranoside) for a 3-h induction duration at shake-flask scale. These conditions were further investigated to find robust, process conditions (8.2 mL of NPK sources, 5.6 mL of glucose, and 11.3 mL of MgSO₄, and a 3.5-h induction duration time) for T-20 production (13.9%) by applying propagation of error. Coauthors     

Experimental investigation of breakdown voltage characteristics ofsingle-gap and multigap pseudosparks

Simple empirical scaling laws that can be applied universally are determined for breakdown voltage characteristics of single-gap and multigap pseudosparks. For the single-gap pseudospark, the breakdown voltage is found to be a function of the product of the gas pressure squared, the anode-cathode gap distance, and the hollow cavity diameter, p²dD, and a function of the product pd for a gap distance less than and greater than three times the cavity diameter, respectively. For the multigap pseudospark, however, the breakdown voltage is found to be only a function of the product p²dD     

On the cubic convergence of the Paardekooper method

We show a simple way how asymptotic convergence results can be conveyed from a simple Jacobi method to a block Jacobi method. Our pilot methods are the well known symmetric Jacobi method and the Paardekooper method for reducing a skew-symmetric matrix to the real Schur form. We show resemblance in the quadratic and cubic convergence estimates, but also discrepances in the asymptotic assumptions. By numerical tests we confirm that our asymptotic assumptions for the Paardekooper method are most general.     

Synthesis and Catalytic Applications of Dendrimer-Templated Bimetallic Nanoparticles

Dendrimers, well-defined hyper-branched macromolecules with characteristic globular structure, have emerged as an attractive material in the field of catalysis and have been considered as a new type of host for the accommodation of guest molecules by virtue of their three-dimensional structure having interior void space. In line with the prospect of dendrimer as a nanoreactor, various metal nanoparticles have been successfully prepared via encapsulation in or formation of particles surrounded by dendrimer branches. However, it is worth noting that most of the previous studies have been confined to the monometallic nanoparticles, and bimetallic nanoparticles have been scarcely exploited yet. In this article, we present the synthesis and characterization of dendrimer-templated bimetallic nanoparticles and their application to catalysis.