Estudo teórico de propriedades ópticas não-lineares de nanotubos de carbono de parede única quimicamente modificados

Structure and first hyperpolarizability for a series of armchair a(5,5) chemically modified carbon nanotubes (CNT) were calculated at semiempirical and density functional levels of theory. The 4,4´-substituted stilbenes were selected as chromophore with substituents at position 4´ set to X=NO2, H, Cl, OH and NH2. The calculated values for static first hyperpolarizability (β) were almost linearly dependent on the electronic effect of the group X, increasing from NO2 to NH2. At DFT level the effect of inserting the chromophore in the CNT surface was to enhance the β value up to 70% relative to the free 4,4´-substituted stilbene.

Fotodegradación heterogénea de bisfenol A en agua con dióxido de titanio

Bisphenol A (BPA) is a monomer used in epoxy resin and polycarbonate manufacture. This molecule is considered as an endocrine disruptor that causes different diseases. The human exposition to this non biodegrable substance is increasing in the time; in particular, water is contaminated by industrial remainder flow. In this article heterogeneous photo degradation of a solution of BPA in water solution using a catalytic photo reactor with UV light and titanium dioxide (TiO2) was evaluated. High performance liquid chromatography (HPLC) was used to analyze the photo degradation of BPA solutions. The influence of titanium dioxide amount, BPA concentration, reaction temperature and the catalyst state like suspension and immobilized were also determinated. The highest elimination of BPA was 83.2%, in 240 min, beginning with 0.05 mM of BPA and 100 mg/L of TiO2 in suspension.

Alcaloides iboga de Peschiera affinis (Apocynaceae) - Atribuição inequívoca dos deslocamentos químicos dos átomos de hidrogênio e carbono: atividade antioxidante

Six known alkaloids iboga type and the triterpen α- and β-amyrin acetate were isolated from the roots and stems of Peschiera affinis. Their structures were characterized on the basis of spectral data mainly NMR and mass spectra. 1D and 2D NMR spectra were also used to unequivocal ¹H and 13C chemical shift assignments of alkaloids. The ethanolic extract of roots, alkaloidic and no-alkaloidic fractions and iso-voacristine hydroxyindolenine and voacangine were evaluated for their antioxidative properties using an autographic assay based on β-carotene bleaching on TLC plates, and also spectrophotometric detection by reduction of the stable DPPH (2,2-diphenyl-1-picrylhydrazyl) free radical.

Concentrações de amônio na água da chuva e estimativa de emissão de amônia de rebanhos domésticos de Pinheiro e Viana, Baixada Maranhense

Rainwater samples (bulk deposition samples) were collected in Pinheiro and Viana. Rainwater pHs were higher than the range usually expected for unpolluted rain (5.0-5.6). The highest values were found in the beginning of the rainy season. High concentrations of ammonium found in the rainwater samples could probably explain the high pHs. Grazing animals and other human activities, combined with soil characteristics and climatic conditions can be the potential factors controlling the rainwater concentrations of ammonium in Baixada Maranhense.

Nanocompósitos de poliuretana termoplástica e nanotubos de carbono de paredes múltiplas para dissipação eletrostática

Polyurethane/multi-walled carbon nanotube (MWCNT) nanocomposites have been prepared with nanotube concentrations between 0.01 wt% and 1 wt%. MWCNT as-synthesized samples with ~74 nm diameter and ~7 μm length were introduced by solution processing in the polyurethane matrix. Scanning electron microscopy (SEM) images demonstrated good dispersion and adhesion of the CNTs to the polymeric matrix. The C=O stretching band showed evidence of perturbation of the hydrogen interaction between urethanic moieties in the nanocomposites as compared to pure TPU. Differential scanning calorimetry and positron anihilation lifetime spectroscopy measurements allowed the detection of glass transition displacement with carbon nanotube addition. Furthermore, the electrical conductivity of the nanocomposites was significantly increased with the addition of CNT.

Estudo da eficiência de degradação de tetracloreto de carbono por plasma térmico e caracterização dos produtos formados

Decomposition of carbon tetrachloride in a DC thermal plasma reactor was investigated in argon atmosphere. The operational parameters such as plasma torch power and argon flow rate versus CCl4 conversion were examined. The CCl4 net degradation was determined by GC-FID, the chlorine produced was quantified by iodometric titration, the solid carbon was characterised by Raman spectroscopy and by BET analysis. The solid carbon collected inside de plasma reactor was submitted to solid/liquid extraction and the desorbed species were identified by GC-MS.

Emissão de óxido nitroso de estação de tratamento de esgoto de lodos ativados por aeração prolongada - estudo preliminar

Nitrous oxide emissions from an activated sludge plant which serves a research institute in Rio de Janeiro city were estimated from six unit processes (grit tank, sand trap, aeration tank, secondary settling tank, sludge recirculation line and aerobic digester sludge tank) and also from the plant effluent. Total estimated annual flux was 3.2 x 10(4) g N2O yr-1 of which about 90% was from the aeration tank. Emission factors estimated from population served, wastewater flow and nitrogen load (conversion ratio) were 13 g N2O person-1 yr-1, 9.0 x 10-5 g N2O Lwastewater-1 and 0.14%.

Otimizaçâo das condições de preparação de eletrodos à base de carbono cerâmico utilizando-se planejamento fatorial

Different parameters of carbon ceramic electrodes (CCE) preparation, such as type of precursor, carbon material, catalyst amount, among others, significantly influence the morphological properties and consequently their electrochemical responses. This paper describes a 2³ factorial design (2 factors and 3 levels with central point replicates), which the factors analyzed were catalyst amount (HCl 12 mol L-1), graphite/precursor ratio, and precursor type (TEOS - tetraethoxysilane and MTMOS - methyltrimetoxysilane). The design resulted in a significant third order interaction for peak current values (Ipa) and a second order interaction for potential difference (ΔE), between thefactors studied, which could not be observed when using an univariated study.

Sistema RTP: uma técnica poderosa para o monitoramento da formação de nanotubos de carbono durante o processo por deposição de vapor químico

In this work, a TPR (Temperature Programmed Reduction) system is used as a powerful tool to monitor carbon nanotubes production during CVD (Chemical Vapour Deposition), The experiments were carried out using catalyst precursors based on Fe-Mo supported on Al2O3 and methane as carbon source. As methane reacts on the Fe metal surface, carbon is deposited and H2 is produced. TPR is very sensitive to the presence of H2 and affords information on the temperature where catalyst is active to form different forms of carbon, the reaction kinetics, the catalyst deactivation and carbon yields.

Incorporação de dióxido de titânio em zeólitas para emprego em fotocatálise heterogênea

This work proposes the study of heterogeneous photocatalysis using TiO2 impregnated in zeolites beta, ZSM-5, mordenite, NaXb, NaXp and NaY for the decomposition of methylene blue. The catalysts were characterized by XRD, IR, textural analyses by N2 adsorption, SEM, DRS and the reaction of decomposition was monitored by UV visible. The results indicated that didn't have structural changes in the catalysts after Ti impregnations, only in the case of NaY and NaX zeolites. The better photocatalyst to metylene blue decomposition was beta/Ti zeolite due had one structure more accessible (with bigger porous) helping in TiO2 dispersion and catalytic active.

Hidróxido de níquel suportado em carbono: um catalisador de baixo custo para a eletro-oxidação de alcoóis em meio alcalino

The present manuscript shows the synthesis of nickel hydroxide supported in carbon (Ni(OH)2/C) as a alternative material for catalytic alcohol oxidation in alkaline medium. The Ni(OH)2/C was synthesized in different percentage using a sonic bath. No current densities variation during successive cyclic voltammetry experiments was observed. The Ni(OH)2/C electrodes exhibit a potent and persistent electrocatalytic activity towards the oxidation of different alcohols. In addition, alcohols electooxidation occurs in less positive potential compared with noble metal catalyst.

Construção de espectrômetro de emissão atômica com atomização eletrotérmica em filamento de tungstênio (WCAES)

It is here discussed the development of a low cost analytical instrument with capacity for metals determination using atomic emission measurements in an electrothermal atomization system with a tungsten coil atomizer. The main goal was to show a new frontier for using this atomizer and to demonstrate that the simple instrumental arrangement here proposed has potential for portability and for solving analytical tasks related to metals determination. Atomic emission of calcium was selected for the adjustment of instrumental parameters and to evaluate the main characteristics of the lab-built instrument. Cobalt was determined in medicines and one alloy to demonstrate its feasibility.

Reciclagem do crômio de resíduos químicos provenientes da determinação de carbono oxidável em fertilizantes orgânicos

This work proposes a separation, recovery and reuse procedure of chemical residues with chromium. This residue was generated by the determination of oxidizable carbon in organic fertilizers samples. The Cr(VI) of the residue was reduced with ethanol and precipitated with NaOH. The Cr(OH)3 precipitate was separated and oxidized to dichromate ions with hydrogen peroxide. This solution was used another time in organic carbon determination. The uses of recycled dichromate solution were appropriated in four successive recycling. The accuracy was proven using potassium hydrogen phthalate and ten organic fertilizer samples. The organic carbon results, determined with recycled solutions, were similar the conventional solution.

Série histórica da composição química de pilhas alcalinas e zinco-carbono fabricadas entre 1991 e 2009

Mn, Zn, Fe, Cd, Pb and Hg were determined in Zn-C and alkaline batteries manufactured along almost 20 years. After samples disassembly the electroactive components were treated with aqua regia in bath ice for 24 h. Metals were analyzed by ICP-OES. Zn and Mn amounts did not vary significantly. Fe amount decreased, specially after 2000. Hg, Cd and Pb amounts dramatically decreased along time, being virtually absent in alkaline batteries manufactured after 2005. Pb still remains in Zn-C samples. Scanning electron microscopy of batteries manufactured in 1997 and 1998 showed the presence of Bi, In and Cr in the plastic/paper anode-cathode separator.

Planejamento fatorial e superfície de resposta: otimização de um método voltamétrico para a determinação de ag(i) empregando um eletrodo de pasta de nanotubos de carbono

A factorial design applied in a voltammetric stripping method for the measurement of Ag(I) in natural water is described. The procedure is based on the effective pre-concentration of silver ions on electrode surface. The calibration graph was linear in the silver concentration range from 7.92 x 10"7 to 1.07 x 10"5 mol L"1 with a detection limit of 3.81 x 10-7 mol L-1. The determination of Ag(I) in natural water samples was carried out satisfactory with the proposed electrode.