Perda de nitrogênio por volatilização de amônia com o uso de dejetos de suínos em plantio direto

O objetivo deste trabalho foi avaliar as perdas de N por volatilização de amônia com o uso de dejetos de suínos em sistema de plantio direto. No outono, a aplicação dos dejetos (0, 40 e 80 m³ ha-1) foi feita sobre os resíduos culturais da vegetação espontânea e da aveia-preta remanescentes de cultivos anteriores. No verão, os dejetos também foram aplicados sobre os resíduos culturais dessas mesmas espécies, mas logo após serem manejados com rolo faca. Sobre os resíduos culturais da vegetação espontânea, a perda de N por volatilização de amônia chegou a 16,1% da quantidade de N amoniacal aplicada com os dejetos no outono e a 11,0% no verão. Sobre os resíduos culturais da aveia-preta, esses valores foram de 12,7% no outono e 6,5% no verão. As primeiras 20 horas após a aplicação dos dejetos foram responsáveis por aproximadamente 50% da perda total de nitrogênio. Os resultados deste trabalho evidenciam que, em sistema de plantio direto, o uso de dejetos de suínos sobre os resíduos culturais de aveia-preta reduz a emissão de amônia para a atmosfera, em relação aos resíduos culturais da vegetação espontânea do pousio invernal. Essa redução foi, em média, de 18,4% no outono e 34,5% no verão.

Análise teórica da interação de CO, CO2 e NH3 com ZnO

This paper presents a study of the interaction of small molecules with ZnO surfaces by means of theoretical methods. The AM1 semi-empirical method was used for optimizing the geometric parameters of adsorbed molecules. The optimized AM1 structures were used in the calculations of the ab initio RHF method with the 3-21G* basis set. The interaction of CO, CO2 and NH3 molecules were studied with (ZnO)22 and (ZnO)60 cluster models. We have analyzed the interaction energy, SCF orbital energies, Mulliken charges and the density of states (DOS).

Amônia (NH3) atmosférica: fontes, transformação, sorvedouros e métodos de análise

Ammonia is the most common alkaline gas of the atmosphere, being important in the neutralization of various processes that occur in the atmosphere. Its main sources of emission are the decomposition of organic matter and dejections of animals. Ammonia is used by man in diverse activities of production, therefore it is a gas that can contaminate work environments. Measurements of ammonia concentration in some parts of the world have shown great spatial and weather variation. This large variability makes it difficult to estimate the input of reduced nitrogen to different ecosystems from measurements.

Estudo das ligações de hidrogênio para dímeros formados pelas moléculas de H2O, NH3, HF, HCl e HBr através de cálculos baseados em primeiros princípios

Hydrogen bond energies of fifteen dimers were calculated using the large basis set 6-311++G(3df,3pd), at Hartree-Fock (HF) level including Møller-Plesset (MP2) calculations. The procedure for obtaining such energies were based on the dimer's energy rise provoked by increasing in intermolecular distance of the system component units. Deviations from a strictly linear hydrogen bond were investigated and rotational barriers were also computed allowing the calculation of the second order attractive interactions. In order to provide a more objective definition of hydrogen bond, a lower energy limit was proposed in place of the merely empirical parameters employed in the classical definition

Câmara de volatilização: uma alternativa para avaliação da eficiência de amostragem de α- e β-endossulfam em fase gasosa

The efficiency of XAD®-2 resin in sampling the pesticides α and β-endosulfan from air contaminated in the laboratory was evaluated. Sampling efficiency ranged from 87 to 108% for α-endosulfan and from 71 to 84% for β-endosulfan with relative standard deviation lower than 19%. The pesticides were not detected in the second section of the cartridge showing the good retention capacity of XAD®-2 for these analytes. Method quantification limits were 0.32 and 0.34 µg m-3 for α and β-endosulfan, respectively. These results suggest that the proposed method may be useful for evaluating occupational exposure to these compounds.

Processos diurnos e noturnos de remoção de NO2 e NH3 atmosféricos na região de Araraquara-SP

Os óxidos de nitrogênio e a amônia são os mais importantes compostos gasosos nitrogenados emitidos para a atmosfera e possuem grande interesse ambiental. Na atmosfera, esses compostos podem sofrer diversas reações resultando em mudanças nas propriedades químicas e físicas da atmosfera. Atividades humanas, principalmente relacionadas com produção de alimentos, energia e uso de fertilizantes têm aumentado as emissões dessas espécies nitrogenadas para o ambiente, causando distúrbios no seu ciclo natural. Com o objetivo de avaliar as variações dos níveis de concentração e inferir sobre os processos de remoção de compostos de nitrogênio da atmosfera na região de Araraquara, foram feitas determinações em paralelo de amônia (NH3) e dióxido de nitrogênio (NO2). Os resultados de concentração mostraram a estreita correlação entre esses compostos na atmosfera, que sugerem diferentes processos de remoção em diferentes épocas do ano.

Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3

A general reduced dimensionality finite field nuclear relaxation method for calculating vibrational nonlinear optical properties of molecules with large contributions due to anharmonic motions is introduced. In an initial application to the umbrella (inversion) motion of NH3 it is found that difficulties associated with a conventional single well treatment are overcome and that the particular definition of the inversion coordinate is not important. Future applications are described

The effect of counterpoise correction and relaxation energy term to the internal rotation barriers: application to the BF3 ...NH3 and C2H4 ...SO2 dimers

The relevance of the fragment relaxation energy term and the effect of the basis set superposition error on the geometry of the BF3⋯NH3 and C2H4⋯SO2 van der Waals dimers have been analyzed. Second-order Møller-Plesset perturbation theory calculations with the d95(d,p) basis set have been used to calculate the counterpoise-corrected barrier height for the internal rotations. These barriers have been obtained by relocating the stationary points on the counterpoise-corrected potential energy surface of the processes involved. The fragment relaxation energy can have a large influence on both the intermolecular parameters and barrier height. The counterpoise correction has proved to be important for these systems

Simple linear asymmetrical complexes of silver(I): NC-Ag-NH3 and Br-Ag-NH3

The compounds Ag(CN)(NH3) and Ag(Br)(NH3) are remarkable in that they form solids containing the simple molecular units NC-Ag-NH3 and Br-Ag-NH3, rather than extended solids, and are the first examples of simple linear asymmetric complexes of silver(I).

Gas-solid reactions of single crystals: a study of reactions of NH3 and NO2 with single crystalline organic substrates by infrared microspectroscopy

Reaction of single crystals of benzoic and trans-cinnamic acids with 200 Torr pressure of ammonia gas in a sealed glass bulb at 20 degrees C generates the corresponding ammonium salts; there is no sign of any 1:2 adduct as has been reported previously for related systems. Isotopic substitution using ND3 has been used to aid identification of the products. Adipic acid likewise reacts with NH3 gas to form a product in which ammonium salts are formed at both carboxylic acid groups. Reaction of 0.5 Torr pressure of NO2 gas with single crystals of 9-methylanthracene and 9-anthracenemethanol in a flow system generates nitrated products where the nitro group appears to be attached at the 10-position, i.e. the position trans to the methyl or methoxy substituent on the central ring. Isotopic substitution using (NO2)-N-15 has been used to confirm the identity of the bands arising from the coordinated NO2 group. The products formed when single crystals of hydantoin are reacted with NO2 gas under similar conditions depend on the temperature of the reaction. At 20 degrees C, a nitrated product is formed, but at 65 degrees C this gives way to a product containing no nitro groups. The findings show the general applicability of infrared microspectroscopy to a study of gas-solid reactions of organic single crystals. (c) 2005 Elsevier B.V. All rights reserved.

NH3+N2O3 reaction. High level calculations

We have undertaken a comprehensive study of the NH3 + N2O3 reaction in gas phase. Total energies of reactants, intermediates, transition states, and products have been calculated at CBS-QB3 level of theory. The corresponding BSSE analysis were performed at the highest level of theory, i.e. MP2 using the complete basis set (CBS) extrapolation at CBS-QB3 optimized geometries. A detailed mechanism was proposed for 2NH(3) - N2O3 -> 2N(2) - 3H(2)O with Delta H-r= - 170.08 kcal/mol N-2. (c) 2005 Elsevier B.V. All rights reserved.

Adsorção dos gases NH3, NO e H2S em fosfato de vanadila, hidrogeno fosfato de vanadila e fosfatos de vanadila dopados por Al, Co, Mn e Cr

In this work were synthesized the materials called vanadyl phosphate, hydrogen vanadyl phosphate and vanadyl phosphate doped by transition metals with the aim in adsorption the following compounds: ammonia, hydrogen sulfide and nitrogen oxide. To characterize the starting compounds was used DRX, FTIR, FRX and TG analysis. After the characterization of substrates, proceeded de adsorption of NH3 and H2S gases in reactor, passing the gases with continuous flow for 30 min and room temperature. Gravimetric data indicate that the matrices of higher performance in adsorption of ammonia was those doped by aluminum and manganese, obtaining results of 216,77 mgNH3/g and 200,40 mgNH3/g of matrix, respectively. The matrice of higher performance in adsorption of hydrogen sulfide was that doped by manganese, obtaining results of 86,94 mgH2S/g of matrix. The synthesis of substrates VOPO4.2H2O and MnVOPO4.2H2O with nitrogen oxide was made in solution, aiming the final products VOPO4.G.nH2O and MnVOPO4.G.nH2O (G = NO and n = number of water molecules). The thermo analytical behavior and the infrared spectroscopy are indicative of formation of VOPO4.2,5NO.3H2O compound. Results of scanning electron microscopy (SEM) and Energy dispersive spectroscopy (EDS) of materials vanadyl phosphate and vanadyl phosphate modified after reaction in solid state or in solution with the gases show morphology changes in substrates, beyond the formation of orthorhombic sulfur crystals over their respective hosts when these adsorb hydrogen sulfide

Processos diurnos e noturnos de remoção de NO2 e NH3 atmosféricos na região de Araraquara-SP

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Improvement in RNA extraction from S. cerevisie by optimization in the autolysis and NH3 hydrolysis

The optimization of autolysis of Saccharomyces cerevisiae from brewery was studied aiming at the maximum ribonucleic acid extraction and yeast extract production. The best conditions for yeast autolysis was 55.2ºC, pH= 5.1 and 9.8% NaCl for 24h of processing, without the NH3 use. In these conditions, the RNA yield was 89.7%, resulting in 51.3% of dehydrated yeast extract with 57.9% protein. The use of 12.2% NH3 at 60ºC after autolysis (8h) and plasmolysis (8h) was not viable due to the reduction in the RNA yield from 89.7to78.4%. on the other hand, the thermal shock at 60ºC for 15 minutes prior to autolysis provided an increase in the yield from 89.7 to 91.4%. The autolysis, including NaCl plasmolysis in the optimized conditions was efficient, economic and with short time, thus usable for industrial purpose to obtain more valuable products such as yeast extract enriched in RNA and/or protein, for different applications.

Análise teórica da interação de CO, CO2 e NH3 com ZnO

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)