Biodiesel de babaçu (Orbignya sp.) obtido por via etanólica

Biodiesel was obtained by transesterification of babassu oil in anhydrous ethanol and methanol, employing NaOH as catalyst. The products obtained were characterized by physico-chemical and thermogravimetric analysis. It could be concluded that the properties of the two types of biodiesel (ethanolic and methanolic) are very similar when compared with diesel oil.

Estudo da oxidação total do etanol usando óxidos tipo perovskita LaBO3 (B= Mn, Ni, Fe)

The present work investigated the effect of coprecipitation-oxidant synthesis on the specific surface area of perovskite-type oxides LaBO3 (B= Mn, Ni, Fe) for total oxidation of ethanol. The perovskite-type oxides were characterized by X-ray diffraction, nitrogen adsorption (BET method), thermogravimetric analysis (TGA-DTA), TPR and X-ray photoelectron spectroscopy (XPS). Through method involving the coprecipitation-oxidant was possible to obtain catalysts with different BET specific surface areas, of 33-51 m²/g. The results of the catalytic test confirmed that all oxides investigated in this work have specific catalytic activity for total oxidation of ethanol, though the temperatures for total conversion change for each transition metal.

Sintesis de poliuretanos a partir de polioles obtenidos a partir del aceite de higuerilla modificado por transesterificación con pentaeritritol

Castor oil was reacted by transesterification with various percentages in mass of pentaerythritol to obtain different esters of pentaerythritol. Alternatively, glycerol was also used instead of pentaerythritol for the same reaction in order to establish comparative reference products. The products of the reactions were characterized by matrix-assisted laser desorption/ionization time-of-flight mass spectroscopy in order to detect and quantify (in terms of the molecular mass and structural information) the components of the products obtained. Analysis for hydroxyl value, acid value, viscosity and specific gravity were used to complete the characterization of the polyols obtained and also of the original castor oil. The polymer characterization was accomplished by tensile stress-strain tests, Shore A hardness, thermogravimetric analysis and chemical resistance to solvents.

Caracterização de argilas bentonitas e diatomitas e sua aplicação como adsorventes

Five samples of natural clays denominated: diatomite, CN-20, CN-29, CN-40 and CN-45 from Aliança Latina LTDA were characterized by differents supplementary techniques such as: XRD, chemical analysis, adsorption N2 measurements, infrared spectroscopy analysis, thermogravimetric analysis. Clays were tested in adsorption of blue methylene. All of isotherms adjust in a model of physics adsorption with formation of multilayers, however in the case of diatomite was a favorable adsorption (type II) and the CNs were a not favorable adsorption (type III). In the case of CNs had flocculation of clay in high concentration of coloring.

Modification of a Brazilian smectite clay with different quaternary ammonium salts

In this work, a smectite clay from the State of Paraiba, Brazil, was treated with six different types of ammonium salts, which is an usual method to enhance the affinity between the clay and polymer for the preparation of nanocomposites. The clays, before and after modification, were characterized by X ray diffraction. The conformation of the salts within the platelets of the clay depended on the number of long alkyl chains of the salt. The thermal stability of the clays was also studied. The ammonium salts thermal decomposition was explained in light of their position within the organoclays.

Avaliação da liberação de NH4NO3 ocluido em zeólita 4A a partir de soluções salinas

The zeolite 4A was used to evaluate the thermo kinetics parameters of NH4+ and NO3- ions occluded in its structure. The Osawa method for activation energy calculation was used to evaluate its thermal stability, and the results shown that the ion species interact differently depending on the zeolite pores, which determines the controlled release by its structure.

Desempenho da matriz híbrida SiO2-quitosana na imobilização da lipase microbiana de Candida rugosa

Lipase from Candida rugosa was immobilized by covalent attachment on hybrid SiO2-chitosan obtained by sol-gel technique. A comparative study between free and immobilized lipase was provided in terms of pH, temperature, kinetic parameters and thermal stability on the olive oil hydrolysis. The pH and temperature for maximum activity shifted from 7.0 and 45 ºC for the free lipase to 7.5 and wide range of temperature (40-50 ºC) after immobilization. Kinetics parameters were found to obey Michaelis-Menten equation and K M values indicated that immobilization process reduced the affinity of enzyme-substrate; however Kd values revealed an increase of thermal stability of lipase.

In situ synthesis of nanoclay filled polyethylene using polymer supported metallocene catalyst system

In situ ethylene polymerizations were performed using bis(cyclopentadiene)titanium dichloride supported on polyethersulfone as catalyst. The bis(cyclopentadiene)titanium dichloride supported on polyethersulfone catalyst activity estimated by ethylene polymerization was 360 kgPE/molTi/h. During polymerization the fillers used were montmorillionite nanoclays having surface modifications with 35-45 wt% dimethyl dialkyl(14-18)amine (FA) and 25-30 wt% trimethyl stearyl ammonium (FB). These fillers were pretreated with methylaluminoxine (MAO; cocatalyst) for better dispersion onto the polymer matrix. The formation of polyethylene within the whole matrix was confirmed by FTIR studies. It was found that the nature of nanofiller did not have any remarkable effect on the melting characteristics of the polymer. TGA study indicates that nanoclay FB filled polyethylene has higher thermal stability than nanoclay FA filled polyethylene. The melting temperature of the obtained polyethylenes was 142 ºC, which corresponds to that synthesized by the polyether sulfone supported catalyst.

Avaliação das propriedades de compósitos de polipropileno reforçados com casca de aveia

The preparation of oat-reinforced polypropylene nanocomposites with different fiber contents by means of melt-processing was investigated. Composite properties were evaluated by Scanning Electron Microscopy (SEM), Flexural Modulus, Dynamic Mechanical Analysis (DMA), Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA). Findings confirmed that the oat composite properties were affected by fiber type and content. Improvements in mechanical properties were obtained using fiber contents < 20% w.t.

Enhanced photocatalytic activity of TiO2 films by modification with polyethylene glycol

Titanium dioxide porous thin films on the Anatase phase were deposited onto glass slides by the sol-gel method assisted with polyethylene glycol (PEG). The dip-coated films were characterized using scanning electron microscopy (SEM), thermogravimetric analysis (TGA and DTG), UV-visible spectroscopy and X-ray diffraction (XRD). The photocatalytic activity of the films was determined by means of methyl-orange oxidation tests. The resultant PEG-modified films were crack-free and developed a porous structure after calcination at 500 °C. Photo-oxidation tests showed the dependency of catalytic activity of the films on the number of layers (thickness) and porosity, i.e. of the interfacial area.

Biochemical properties of Bacillus sp. ITP-001 lipase immobilized with a sol gel process

This work presents biochemical characterization of a lipase from a new strain of Bacillus sp. ITP-001, immobilized using a sol gel process (IB). The results from the biochemical characterization of IB showed increased activity for hydrolysis, with 526.63 U g-1 at pH 5.0 and 80 ºC, and thermal stability at 37 ºC. Enzymatic activity was stimulated by ions such as EDTA, Fe+3, Mn+2, Zn+2, and Ca+2, and in various organic solvents. Kinetic parameters obtained for the IB were Km = 14.62 mM, and Vmax = 0.102 mM min-1 g-1. The results of biochemical characterization revealed the improved catalytic properties of IB.

Triagem de suportes orgânicos e protocolos de ativação na imobilização e estabilização de lipase de Thermomyces lanuginosus

Lipase from Thermomyces lanuginosus was covalently immobilized on activated poly-hydroxybutyrate, sugarcane bagasse and the chemically modified hybrid hydrogel chitosan-alginate prepared by different strategies. Among the tested supports, chitosan-alginate chemically modified with 2,4,6-trinitrobenzenesulfonic acid rendered derivatives with the highest hydrolytic activity and thermal-stability, 45-fold more stable than soluble lipase and was then selected for further studies. The pH of maximum activity was similar for both immobilized and free lipase (pH 8.0) while optimum temperature was 5 - 10 ºC higher for the immobilized lipase. Higher yields in the butyl butyrate synthesis were found for the derivatives prepared by activation with glycidol and epichlorohydrin.

A Theoretical investigation of a potential high energy density compound 3,6,7,8-tetranitro-3,6,7,8-tetraaza-tricyclo[3.1.1.1(2,4)]octane

The B3LYP/6-31G (d) density functional theory (DFT) method was used to study molecular geometry, electronic structure, infrared spectrum (IR) and thermodynamic properties. Heat of formation (HOF) and calculated density were estimated to evaluate detonation properties using Kamlet-Jacobs equations. Thermal stability of 3,6,7,8-tetranitro-3,6,7,8-tetraaza-tricyclo [3.1.1.1(2,4)]octane (TTTO) was investigated by calculating bond dissociation energy (BDE) at the unrestricted B3LYP/6-31G(d) level. Results showed the N-NO2 bond is a trigger bond during the thermolysis initiation process. The crystal structure obtained by molecular mechanics (MM) methods belongs to P2(1)/C space group, with cell parameters a = 8.239 Å, b = 8.079 Å, c = 16.860 Å, Z = 4 and r = 1.922 g cm-3. Both detonation velocity of 9.79 km s-1 and detonation pressure of 44.22 GPa performed similarly to CL-20. According to the quantitative standards of energetics and stability, TTTO essentially satisfies this requirement as a high energy density compound (HEDC).

Síntese e caracterização de nanocompósitos de poliestireno/hidroxissal lamelar

Polystyrene/layered hydroxide salt (LHS) modified with sodium dodecyl sulfate was synthesized by in situ polymerization. The materials synthesized were characterized by gravimetry, X-ray diffraction (XRD), thermogravimetry analyses (TGA), differential scanning calorimetry (DSC) and the flammability test (FT). XRD demonstrated that synthesized nanocomposites in all compositions studied showed poor global dispersion of LHS in polystyrene. TGA showed a slight decrease in thermal stability. DSC curves showed that the glass transition temperature of polystyrene and nanocomposites were similar. The FT showed that the nanocomposite with low load of LHS exhibited good results.

Dft theoretical study of energetic nitrogen-rich C4N6H8-n(NO2)n derivatives

Density functional theory (DFT) calculations at the B3LYP/6-31G** theoretical level were performed for a series of guanidine-fused bicyclic skeleton derivatives C4N6H8-n(NO2)n (n = 1 - 6). The heats of formation (HOFs) were calculated by isodesmic reactions, and the detonation properties were evaluated using the Kamlet - Jacobs equations. The bond dissociation energies were also analyzed to investigate the thermal stability and sensitivity of the compounds. The results show that all of the derivatives have high positive HOFs, compound G has the highest theoretical density, and compound F1 has the highest detonation velocity and detonation pressure. Considering both the detonation properties and thermal stabilities, compounds D1 and D4 (3 nitro substituents), E1 - E6 (4 nitro substituents), and G (6 nitro substituents) can be regarded as potential candidates for high-energy density materials.