The relative cost of biomass energy transport

Logistics cost, the cost of moving feedstock or products, is a key component of the overall cost of recovering energy from biomass. In this study, we calculate for small- and large-project sizes, the relative cost of transportation by truck, rail, ship, and pipeline for three biomass feedstocks, by truck and pipeline for ethanol, and by transmission line for electrical power. Distance fixed costs (loading and unloading) and distance variable costs (transport, including power losses during transmission), are calculated for each biomass type and mode of transportation. Costs are normalized to a common basis of a giga Joules of biomass. The relative cost of moving products vs feedstock is an approximate measure of the incentive for location of biomass processing at the source of biomass, rather than at the point of ultimate consumption of produced energy. In general, the cost of transporting biomass is more than the cost of transporting its energy products. The gap in cost for transporting biomass vs power is significantly higher than the incremental cost of building and operating a power plant remote from a transmission grid. The cost of power transmission and ethanol transport by pipeline is highly dependent on scale of project. Transport of ethanol by truck has a lower cost than by pipeline up to capacities of 1800 t/d. The high cost of transshipment to a ship precludes shipping from being an economical mode of transport for distances less than 800 km (woodchips) and 1500 km (baled agricultural residues).     

Emission properties of dopants rubrene and coumarin 6 in Alq3 films

We have investigated the emission properties of dopants 5,6,11,12-tetraphenylnapthacene (rubrene) and 3-(2′-benzothiazolyl)-7-diethylaminocoumarin (coumarin 6) as well as co-doping of these two dopants in tris (8-hydroxyquinolinato) aluminum (Alq₃) films in double-layer organic light emitting diodes (OLEDs). We varied the rubrene (Rb) doping concentration in Alq₃:Rb films up to 10 wt%. The maximum luminescence efficiency of ∼6.5 cd/A was observed for Rb doping concentration of ∼0.7 wt% in Alq₃:Rb film, which was nearly double efficiency compared to pure Alq₃ device. The co-doping of dopants of C-6 and Rb in the ratio of 1:1 and 1:2 in Alq₃ films reduced the bias voltage compared to pure Alq₃ and Alq₃:C-6 devices for the same current density. The maximum luminescence efficiency was improved to ∼7 cd/A in Alq₃:{C-6:Rb(1:2)} film OLED. The direct recombination of holes and electrons in the dopant molecules may be responsible for the improvement of the luminescence efficiency. We also observed the shifting of photoluminescence (PL) and electroluminescence (EL) peaks position from ∼515 to ∼562 nm by co-doping of Rb and C-6 in Alq₃.     

CFD simulation of the magnetophoretic separation in a microchannel

The CFD simulation of the separation of labeled biospecies from a native fluid flowing through a planar microchannel, mediated by a magnetic field is presented in this study. The fluid flow, coupled with Eulerian advection-convection concentration equation, is utilized to model the transport of the magnetic biospecies. A moderate-gradient magnetic field caused accumulation of the magnetic labeled species in the vicinity of the higher magnetic field region. The re-distribution of the magnetically labeled species in the region close to the highest magnetic field zone presents a scheme for the focusing or collection of these species from the heterogeneous samples under the simulation conditions. The magnetic-fluidic interactions and interplay between the magnetophoretic mass transfer and molecular diffusion for different throughputs are analyzed. The study found out that the axial magnetic forces, created from a dipole-like magnetic field, is playing a major role in the vortex formation, and this complements the downward vertical force in confining the particles to a small region near the point with the highest magnetic strength. Also, the study predicts that the generated viscous shear stress levels in the interior region of the channel provide a safe transport mechanism for the biological cells in the solution.     

Differential capacitance of hybrid organic/inorganic CdSe/ZnS quantum dots light-emitting device

We have studied the differential capacitance of self-assembly hybrid organic/inorganic quantum dot (QD) light-emitting devices (QD-OLEDs) at room temperature in the frequency range of 1×10³ to 1×10⁶ Hz. Self-assembly CdSe/ZnS QDs monolayer was used to fabricate trilayer hybrid QD-OLEDs on indium tin oxide coated glass substrates. We observed negative differential capacitance (NDC) in both OLED and QD-OLEDs for the first time in the intermediate frequency range of 5×10³ to 5×10⁵ Hz. The onset and frequency range of NDC are strongly depended on the applied bias voltage. This behavior is described by a mathematical model. The simulated results showed that the NDC was due to the time-dependent transient current from the QDs and organic/metal interfacial states in the device. The probable mechanisms of NDC in organic devices are discussed.     

Effects of CuCl2��6H2O and ZnCl2��6H2O on the viscosity of aqueous ethanol mixtures

The effects of CuCl₂ and ZnCl₂ on the viscosity in aqueous ethanol mixtures (10%–50% v/v) were studied in the concentration range 1.0×10⁻²–8.0×10⁻² mol·dm⁻³ at different temperatures. It was found that the viscosities increased with an increase in the concentration of the salts and percent composition of ethanol content, whereas it decreased with an increase in temperature. Ion-ion and ion-solvent interactions are determined with the help of A- and B-coefficients of Jones-Dole equation. The values of A- and B-coefficients are irregular and increase with a rise in temperature and also with an increase in ethanol contents for both salts. Negative values of B-coefficients show that ion solvent interactions is comparatively small and suggest that CuCl₂ and ZnCl₂ behave as structure breakers in aqueous ethanol mixtures. Thermodynamic parameters like the energy of activation (E _η ) and change in entropy of activation (ΔS*) were also evaluated which confirm the structure breaker behavior of salts in aqueous ethanol mixtures.     

Predicting solvent stability in aprotic electrolyte Li-air batteries: nucleophilic substitution by the superoxide anion radical (O2(•-))

There is increasing evidence that cyclic and linear carbonates, commonly used solvents in Li ion battery electrolytes, are unstable in the presence of superoxide and thus are not suitable for use in rechargeable Li-air batteries employing aprotic electrolytes. A detailed understanding of related decomposition mechanisms provides an important basis for the selection and design of stable electrolyte materials. In this article, we use density functional theory calculations with a Poisson-Boltzmann continuum solvent model to investigate the reactivity of several classes of aprotic solvents in nucleophilic substitution reactions with superoxide. We find that nucleophilic attack by O(2)(?-) at the O-alkyl carbon is a common mechanism of decomposition of organic carbonates, sulfonates, aliphatic carboxylic esters, lactones, phosphinates, phosphonates, phosphates, and sulfones. In contrast, nucleophilic reactions of O(2)(?-) with phenol esters of carboxylic acids and O-alkyl fluorinated aliphatic lactones proceed via attack at the carbonyl carbon. Chemical functionalities stable against nucleophilic substitution by superoxide include N-alkyl substituted amides, lactams, nitriles, and ethers. The results establish that solvent reactivity is strongly related to the basicity of the organic anion displaced in the reaction with superoxide. Theoretical calculations are complemented by cyclic voltammetry to study the electrochemical reversibility of the O(2)/O(2)(?-) couple containing tetrabutylammonium salt and GCMS measurements to monitor solvent stability in the presence of KO(2)(?) and a Li salt. These experimental methods provide efficient means for qualitatively screening solvent stability in Li-air batteries. A clear correlation between the computational and experimental results is established. The combination of theoretical and experimental techniques provides a powerful means for identifying and designing stable solvents for rechargeable Li-air batteries.     

Mechanistic study of the deamination reaction of guanine: a computational study

The mechanism for the deamination of guanine with H(2)O, OH(-), H(2)O/OH(-) and for GuaH(+) with H(2)O has been investigated using ab initio calculations. Optimized geometries of the reactants, transition states, intermediates, and products were determined at RHF/6-31G(d), MP2/6-31G(d), B3LYP/6-31G(d), and B3LYP/6-31+G(d) levels of theory. Energies were also determined at G3MP2, G3MP2B3, G4MP2, and CBS-QB3 levels of theory. Intrinsic reaction coordinate (IRC) calculations were performed to characterize the transition states on the potential energy surface. Thermodynamic properties (ΔE, ΔH, and ΔG), activation energies, enthalpies, and Gibbs free energies of activation were also calculated for each reaction investigated. All pathways yield an initial tetrahedral intermediate and an intermediate in the last step that dissociates to products via a 1,3-proton shift. At the G3MP2 level of theory, deamination with OH(-) was found to have an activation energy barrier of 155 kJ mol(-1) compared to 187 kJ mol(-1) for the reaction with H(2)O and 243 kJ mol(-1) for GuaH(+) with H(2)O. The lowest overall activation energy, 144 kJ mol(-1) at the G3MP2 level, was obtained for the deamination of guanine with H(2)O/OH(-). Due to a lack of experimental results for guanine deamination, a comparison is made with those of cytosine, whose deamination reaction parallels that of guanine.     

Effect of Reynolds number on heat transfer and flow for multi-oxide nanofluids using numerical simulation

A numerical simulation model for laminar flow of nanofluids in a pipe with constant heat flux at the wall has been built to study the effect of Reynolds number on heat transfer and pressure loss. The investigation was performed for metallic oxide and multi-oxide nanoparticles suspended in water. The thermal conductivity and dynamic viscosity were measured for a range of temperature (10–60 °C) and volume fraction of multi-oxide nanofluid. Comparison of the thermal conductivity for monocular oxide and multi-oxide nanofluids reveals a new way to control the enhancement in nanofluid conductivity. The numerical results obtained were compared with existing well-established correlations. The predictions of the Nusselt number for nanofluids are in agreement with the Shah correlation, and the deviation in the results is less than 1 %. It is found that the pressure loss increases with the Reynolds number, nanoparticle density, and volume fraction for multi-oxide nanoparticles. However, the flow demonstrates enhancement in heat transfer which improves with increasing Reynolds number of the flow.     

Preparation and characterization of a new SNO ligand derived from ethanebis(thioamide) and 2-hydroxybenzaldehyde, and its Cu(II), Co(II), and Rh(III) metal complexes

A new Schiff base N-[(E)-(2-hydroxyphenyl)methylidene]-N’-[(Z)-(2-hydroxyphenyl)methylidene]ethanebis(thioamide) (L_C) containing sulfur, nitrogen, and oxygen atoms has been synthesized by condensation of ethanebis(thioamide) with 2-hydroxybenzaldehyde. Metal complexes were synthesized by reaction of the new ligand with copper(II) and cobalt(II) as nitrate salts and with rhodium(III) as chloride salt, using hot absolute ethanol as solvent. All the new compounds were characterized by use of different physicochemical techniques including UV–visible spectroscopy, magnetic susceptibility, IR spectroscopy, molar conductance, and determination of metal content. It is proposed the paramagnetic copper and cobalt complexes adopt octahedral geometry whereas the diamagnetic rhodium complex has octahedral geometry.     

Adsorption of chiral aromatic amino acids onto carboxymethyl-β-cyclodextrin bonded Fe(3)O(4)/SiO(2) core-shell nanoparticles

Surface of magnetic silica nanoparticles is modified by grafting with carboxymethyl-β-cyclodextrin (CM-β-CD) via carbodiimide activation. The functionalized magnetic core-shell nanoparticles (MNPs) are characterized by Transmission Electron Microscopy (TEM), Fourier Transform Infra Red (FTIR) spectroscopy, X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS) and Vibrating Sample Magnetometer (VSM). These nano-sized particles are scrutinized for adsorption of certain chiral aromatic amino acid enantiomers namely, d- and l-tryptophan (Trp), d- and l-phenylalanine (Phe) and d- and l-tyrosine (Tyr) from phosphate buffer solutions. Adsorption capacities of the coated magnetic nanoparticles toward amino acid enantiomers are in the order: l-Trp>l-Phe>l-Tyr and under the same condition, adsorption capacities are higher for l-enantiomers than the corresponding d-enantiomers. All the equilibrium adsorption isotherms are fitted well to Freundlich model. FTIR studies depict significant changes after adsorption of amino acids onto nanoparticles. The stretching vibration frequencies of NH bonds of the amino acid molecules are changed with complex formation through host-guest interaction. The structure and hydrophobicity of amino acid molecules emphasize the interactions between amino acid molecules and the nano-adsorbents bearing cyclodextrin, thus play important roles in the difference of their adsorption behaviors.