Influence of Ti Incorporation to Bimetallic Mesoporous Carbon in the Production of 2,5-Dimethylfuran from Biomass Derivatives

Catalysis Letters - Monometallic and bimetallic supported catalysts were developed to produce 2,5-dimethylfuran (DMF) trough hydrogenolysis of 5-(hydroxymethyl)furfural (HMF). Detailed...     

Large eddy simulation of pollen transport in the atmospheric boundary layer

This paper presents a framework to simulate pollen dispersal by the wind based on the large eddy simulation (LES) technique. Important phenomena such as the pollen emission by the plants and the ground deposition are parameterized by the lower boundary condition. The numerical model is validated against previously published experiments of point source releases of glass beads and pollen grains in the atmospheric boundary layer. The numerical model is used together with experimental data of pollen emission and downwind deposition from a natural field obtained near Washington, DC, in the summer of 2006. The combined analysis of experimental and numerical data allows to elucidate the emission/transport/deposition process in considerable detail. In particular, the relative fractions of pollen deposited inside the source field and airborne at the edge of the field can be quantified. The use of LES allows quantification of important intermittent deposition events far from the source field.     

The treatment of sulfate-rich wastewater using an anaerobic sequencing batch biofilm pilot-scale reactor

This paper presents the results from 92 cycles of an anaerobic sequencing batch biofilm reactor containing biomass immobilized on inert support (mineral coal) applied for the treatment of an industrial wastewater containing high sulfate concentration. The pilot-scale reactor, with a total volume of 1.2 m³, was operated at sulfate loading rates ranging from 0.15 to 1.90 kgSO₄²⁻/cycle (48 h — cycle) corresponding to sulfate concentrations of 0.25 to 3.0 gSO₄²⁻ l^− 1. Domestic sewage and ethanol were utilized as electron donors for sulfate reduction. Influent sulfate concentrations were increased in order to evaluate the minimum COD/sulfate ratio at which high reactor performance could be maintained. The mean sulfate removal efficiency remained between the range of 88 to 92% at several sulfate concentrations. Temporal profiles along the 48 h cycles were carried out under stable operation at sulfate concentrations of 1.0, 2.0 and 3.0 gSO₄²⁻ l^− 1. Sulfate removal reached 99% for cycle times of 15, 25, and 30 h, and the effluents sulfate concentrations were lower than 8 mgSO₄²⁻ l^− 1. The results demonstrate the potential applicability of the anaerobic configuration for the biological treatment of sulfate-rich wastewaters.     

Chemical composition and physical properties of black liquors and their effects on liquor recovery operation in Brazilian pulp mills

Black liquor is the major by-product and fuel of pulp mills. In this work, effects of black liquor properties on its recovery unit operation are analyzed. Thus, an experimental methodology for characterizing the principal chemical and physical properties of eucalyptus Kraft and bamboo soda black liquors has been developed, including sample collections from six Brazilian mills. Based on results, eucalyptus and bamboo black liquors present higher contents of non-processing elements (NPEs), higher concentration and different molar mass of lignin than those reported by the pine Kraft black liquor. This leads to distinct rheological properties of these liquors. By comparing results obtained for the both liquors, the bamboo and the eucalyptus, the former has the lowest sulfur level, the highest silicon and lignin concentration and, consequently, the highest apparent viscosity.     

Ultrafine grinding of sugar cane bagasse ash for application as pozzolanic admixture in concrete

Sugar cane bagasse ash, a byproduct of sugar and alcohol production, is a potential pozzolanic material. However, its effective application in mortar and concrete requires first the controlled use of grinding and classification processes to allow it to achieve the fineness and homogeneity that are required to meet industry standards. The present paper investigates the role of mill type and grinding circuit configuration in grinding in laboratory- and pilot plant-scale on the particle size, specific surface area and pozzolanic activity of the produced ashes. It was observed that, although different size distributions were produced by the different mills and milling configurations, the pozzolanic activity of the ground ash was directly correlated to its fineness, characterized by its 80% passing size or Blaine specific surface area. From a low pozzolanic activity of less than 50% of the as-received ash, values above 100% could be reached after prolonged grinding times. Electric power requirements to reach the minimum pozzolanic activity were estimated to be in the order of 42 kWh/t in an industrial ball mill. Incorporation of an ultrafinely-ground ash in a high-performance concrete in partial replacement of Portland cement (10, 15 and 20% by mass) resulted in no measurable change in mechanical behavior, but improved rheology and resistance to penetration of chloride ions.     

Cogeneration in integrated first and second generation ethanol from sugarcane

Sugarcane bagasse and trash are used as fuels in cogeneration systems for bioethanol production, supplying steam and electricity, but may also be used as feedstock for second generation ethanol. The amount of surplus lignocellulosic material used as feedstock depends on the energy consumption of the production process; residues of the pretreatment and hydrolysis operations (residual cellulose, lignin and eventually biogas from pentoses biodigestion) may be used as fuels and increase the amount of lignocellulosic material available as feedstock in hydrolysis. The configuration of the cogeneration system (boiler pressure, lignocellulosic material consumption and steam production, turbines efficiencies, among others) has a significant impact on consumption of fuel and electricity output; in the integrated first and second generation, it also affects overall ethanol production. Simulations of the integrated first and second generation ethanol production processes were carried out using Aspen Plus, comparing different configurations of the cogeneration systems and pentoses use (biodigestion and fermentation). Economic analysis shows that electricity sale can benefit second generation ethanol, even in relatively small amounts. Environmental analysis shows that the integrated first and second generation process has higher environmental impacts in most of the categories evaluated than first generation.     

Nickel Activation for Hydrogenolysis Reaction on USY Zeolite

The effects of the SAR (14 and 38) and of the methodology of introduction of nickel (wetness impregnation and ion exchange) on catalyst activation were investigated in Ni/USY model catalysts submitted to two activation treatments: reduction (A) and reduction/calcination/reduction, successively (B). the catalysts prepared by wetness impregnation, a marked increase in the catalytic activity after treatment B was observed. On the basis of the catalyst efficiency toward ethane hydrogenolysis, the lower SAR catalyst presents a threefold higher activity. On the contrary, the catalysts prepared by ion exchange, as well as a model catalyst prepared by wetness impregnation over a USY exhaustively exchanged with nickel ions, do not present measurable increasing of the catalytic activity under the same activation conditions. Monitoring the catalyst activation by EXAFS indicates the formation of nickel clusters in the impregnated catalysts after activation treatment B, which should be responsible for the high catalytic activity. However, TEM images reveal a bimodal particle size distribution, with large (ca. 20 nm) and small nickel particles. Temperature-programmed reduction performed under the same conditions of catalyst activation suggests that only the small nickel particles are activated under the experimental conditions adopted in this work.     

Reliable indirect competitive ELISA used for a survey of ochratoxin A in green coffee from the North of Paraná State, Brazil.

The performance of an indirect competitive enzyme-linked immunosorbent assay (ic-ELISA) based on a monoclonal antibody (mAb) for ochratoxin A (OTA) detection was evaluated in a comparative study with high-performance liquid chromatography (HPLC) analysis using 68 freshly harvested coffee samples from the North of Paraná State, Brazil. The anti-OTA mAb showed high specificity and low cross-reactivity with OTA analogues (OTB and OTalpha), but cross-reacted with OTC. This ic-ELISA showed a detection limit of 3.75 ngg-1 sample, when compared to 0.80 ngg-1 by HPLC, with an ic-ELISA/HPLC correlation coefficient of 0.90. As regards OTA analysis of these coffee samples, natural contamination was detected in 10 samples (14.7%) by both methods, where the ic-ELISA values (range 3.9-7.3 ngg-1) were 1.1 to 1.6-fold higher than HPLC data (2.7-4.7 ngg-1). Five samples (7.4%) were OTA positive (range 0.84-1.30 ngg-1) only by HPLC assay, probably due to the higher detection limit reached by ic-ELISA. OTA was undetectable in 53 samples (77.9%) by both methods, while all positive samples (range 0.84-7.30 ngg-1) showed OTA levels lower than 8 ngg-1 (maximum limit recommended by the European Union). The matrix interference of green coffee was minimized by dilution of sample extracts before carrying out the ELISA assay. This mAb-based ic-ELISA can be effectively applied for OTA screening in coffee, because it is simple, sensitive and sample preparation is easy.     

Conformational properties of poly(diallyldimethyl ammonium chloride) (PDDA) determined by combination of molecular dynamics, rotational isomeric states and Monte Carlo procedures

A theoretical model describing the conformational properties of poly(diallyldimethyl ammonium chloride) (PDDA) is developed with the following strategy: molecular dynamics simulations are performed on model molecules representing dimers of PDDA. The results are employed to formulate a rotational isomeric state model for these molecules in terms of short-range interactions. Furthermore, the MD trajectories permit the evaluation of conformational energies and probabilities for the 27 conformations allowed to the three bonds sequence contained in the dimers. These probabilities are then employed to generate single chains of PDDA in vacuo according to standard Monte Carlo procedures and their main squared end to end distance 〈r²〉 are computed. The procedure (MD simulations, evaluation of energies and probabilities and MC calculations) is then repeated for two more realistic systems obtained by fitting into a cubic box, having side length L and periodic boundary conditions, a forty repeating units oligomer of PDDA together with 40 Cl⁻ as counterions and 500 water molecules (referred to as water system, ) or the oligomer with its counterions, 500 water molecules and 20 NaCl molecules (referred to as salt system, ). The behavior of the three systems is noticeably different and the value of unperturbed dimensions computed for the realistic systems are in good agreement with preliminary results of experimental measurements being carried out in our laboratory.