146 resultados para Liquids.
em Repositório Institucional UNESP - Universidade Estadual Paulista "Julio de Mesquita Filho"
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Monte Carlo simulation results for pure liquid acetone and water-acetone mixtures calculated in the isothermal and isobaric (NPT) ensemble at T=298K and p=1.0atm are presented. The TIP4P model was used for water and optimized potential for liquid simulation (OPLS) force field parameters used for acetone. The results obtained for the average configurational energy as a function of the mole fraction are in good accord with experimental data. Energy partitioning and co-ordination numbers results calculated for equimolar water-acetone solution are compared to similar data obtained for other water-organic liquid mixtures. These results show an increase in water-water interaction energy and co-ordination numbers when the interaction between water and organic liquid molecules decrease. Distribution functions for pure liquid acetone and water-acetone mixtures are presented. Dipole-dipole angular correlation functions obtained for pure liquid acetone show a predominance of dimers with parallel alignment of dipole moments. Radial distribution functions from water-acetone interaction show characteristic features of hydrogen bonded liquids. Radial and angular distribution functions for water-water correlation calculated in pure water and in equimolar water-acetone mixture are compared, showing very similar features in both systems. (C) 1999 Elsevier B.V. B.V. All rights reserved.
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In this work it is introduced a new approach to calculate the density of liquids in terms of the energies of the acoustic signals. This method is compared to other methods in the time domain (peak-to-peak amplitudes) and frequency domain magnitudes at a single frequency. It is used a measurement cell based on a multiple reflection technique, and it is developed an acoustic model for the cell. Simulations and experiments using several liquids are presented, showing that the energy method a less sensitive to noise than the other techniques. The relative errors in the density are smaller than 0.2% when compared to the values measured with a pycnometer.
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This work presents the implementation of the ultrasonic shear reflectance method for viscosity measurement of Newtonian liquids using wave mode conversion from longitudinal to shear waves and vice-versa. The method is based on measuring the complex reflection coefficient (magnitude and phase) at a solid-liquid interface. Viscosity measurements were made in the range from 1 to 3.5MHz at 22.5°C for automotive oil (SAE40) and at 15°C for olive oil. Moreover, measurements of the olive oil were also conducted in the range from 15 to 30°C at 3.5MHz. The experimental results agree with those provided by a rotational viscometer. © 2006 IEEE.
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The reduction of guanine was studied by microelectrode voltammetry in the room temperature ionic liquids (RTILs) N-hexyltriethylammonium bis (trifluoromethanesulfonyl) imide [N6,2,2,2][N(Tf)2], 1-butyl-3-methylimidazolium hexafluorosphosphate [C4mim][PF6], N-butyl-N-methyl-pyrrolidinium bis(trifluoromethanesulfonyl)imide [C4mpyrr][N(Tf)2], 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide [C4mim][N(Tf)2], N-butyl-N-methyl-pyrrolidinium dicyanamide [C4mpyrr][N(NC)2] and tris(P-hexyl)-tetradecylphosphonium trifluorotris(pentafluoroethyl)phosphate [P14,6,6,6][FAP] on a platinum microelectrode. In [N6,2,2,2][NTf2] and [P14,6,6,6][FAP], but not in the other ionic liquids studied, guanine reduction involves a one-electron, diffusion-controlled process at very negative potential to produce an unstable radical anion, which is thought to undergo a dimerization reaction, probably after proton abstraction from the cation of the ionic liquid. The rate of this subsequent reaction depends on the nature of the ionic liquid, and it is faster in the ionic liquid [P14,6,6,6][FAP], in which the formation of the resulting dimer can be voltammetrically monitored at less negative potentials than required for the reduction of the parent molecule. Adenine showed similar behaviour to guanine but the pyrimidines thymine and cytosine did not; thymine was not reduced at potentials less negative than required for solvent (RTIL) decomposition while only a poorly defined wave was seen for cytosine. The possibility for proton abstraction from the cation in [N6,2,2,2][NTf2] and [P14,6,6,6][FAP] is noted and this is thought to aid the electrochemical dimerization process. The resulting rapid reaction is thought to shift the reduction potentials for guanine and adenine to lower values than observed in RTILs where the scope for proton abstraction is not present. Such shifts are characteristic of so-called EC processes where reversible electron transfer is followed by a chemical reaction. © 2009 Elsevier B.V.
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The solubility of benzene in 15 imidazolium, pyrrolidinium, pyridinium, and piperidinium ionic liquids has been determined; the resulting, benzene-saturated ionic liquid solutions, also known as liquid clathrates, were examined with (1) H and (19) F nuclear magnetic resonance spectroscopy to try and understand the molecular interactions that control liquid clathrate formation. The results suggest that benzene interacts primarily with the cation of the ionic liquid, and that liquid clathrate formation (and benzene solubility) is controlled by the strength of the cation-anion interactions, that is, the stronger the cation-anion interaction, the lower the benzene solubility. Other factors that were determined to be important in the final amount of benzene in any given liquid clathrate phase included attractive interactions between the anion and benzene (when significant), and larger steric or free volume demands of the ions, both of which lead to greater benzene solubility.
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El conocimiento de las características de las diferentes boquillas de pulverización tiene una importancia imprescindible para la adecuada y correcta recomendación de su uso. El objetivo de este trabajo fue determinar el espaciamiento máximo en la barra horizontal de pulverización, la simetría del chorro y el diámetro de gotas en boquillas de pulverización TF-VS2. El trabajo fue realizado en mesa de deposición, en donde fueron utilizadas las presiones de 100, 200 y 300 kPa en las alturas de trabajo de 40 y 50 cm. La simetría del chorro fue determinada en función de dos metodologías (empírica y trigonométrica). También se determinó el tamaño de las gotas, utilizando el método de difracción de rayos laser, en función de dos caldos de pulverización constituidos por agua y por agua con adyuvante en las tres presiones de trabajo ya descritas. Los espaciamientos máximos entre las boquillas en la barra de pulverización no pueden rebasar los 70 y 82 cm, admitiéndose el CV de un 10% para las alturas de 40 y de 50 cm respectivamente. La mayor presión proporcionó el menor diámetro mediano volumétrico (DMV) y la peor uniformidad de gotas, además del mayor porcentaje de gotas susceptibles a deriva, así como también aumentó la simetría entre los chorros.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Titanium alloys are excellent implant materials for orthopedic applications due to their desirable properties, such as good corrosion resistance, low elasticity modulus, and excellent biocompatibility. The presence of interstitial elements (such as oxygen and nitrogen) causes strong changes in the material's mechanical properties, mainly in its elastic properties. Study of the interaction among interstitial elements present in metals began with Snoek's postulate, that a stress-induced ordering of interstitials gives rise to a peak in the mechanical relaxation (internal friction) spectra. In the mechanical relaxation spectra, each species of interstitial solute atom gives rise to a distinct Snoek's peak, whose temperature and position depend on the measurement frequency. This effect is very interesting because its peculiar parameters are directly related to the diffusion coefficient (D) for the interstitial solute. This paper presents a study of diffusion of heavy interstitial elements in Ti-35Nb-7Zr-5Ta alloys using mechanical spectroscopy. Pre-exponential factors and activation energies are calculated for oxygen and nitrogen in theses alloys.
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Since the discovery of high-temperature superconductivity of cuprate oxides, it has been clear that it is strongly affected by the oxygen content, which is also a crucial factor to determine other physical properties of high T-c superconductors. Non-stoichiometric (interstitial) oxygen strongly influences the physical properties of various superconducting oxides, in particular by creating conducting holes. It is now ascertained that the amount of holes injected depends not only on the content of interstitial oxygen, but also on its ordering. Rearrangement of the oxygen ordering may occur even below room temperature due to the unusual high mobility of these atoms. This way, mechanical spectroscopy is one of the most adequate techniques for the study of the mobility (diffusion) of oxygen atoms. This technique allows the determination of the jump frequency of an atomic species precisely, regardless of the model or the different possible types of jumps. In order to evaluate the mobility and the effect of oxygen content on these oxides, ceramic samples we prepared and submitted to several oxygen removal cycles alternately with mechanical relaxation measurements. As for SBCO, it was assumed that the peak was due to O(1)-O(5) jumps of oxygen atoms at the chain terminals or in chain fragments in the orthorhombic phase. In the case of BSCCO, the results showed complex anelastic relaxation structures, which were attributed to interstitial oxygen atom jumps between two adjacent CuO planes.
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Metals with a bcc crystalline structure such as Ti-13V-11Cr-3Al alloys have their physical properties significantly changed through the addition of interstitial elements such as oxygen and nitrogen. These metals can dissolve substantial amounts of interstitial elements forming solid solutions. Mechanical spectroscopy measurements constitute a powerful tool for studying interactions of these interstitial elements with other elements that make up the alloy. From these measurements, it is possible to obtain information regarding diffusion, interstitial concentration, interaction between interstitials, and other imperfections of the crystalline lattice, In this paper, Ti-13V-11Cr-3Al alloys with several amount of nitrogen, in a solid solution, were studied using mechanical spectroscopy (internal friction) measurements. The results presented complex internal friction spectra which were resolved in a series of constituent Debye peaks corresponding to different interactions and interstitial diffusion coefficients. Pre-exponential factors and activation energies were calculated for nitrogen in theses alloys.
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The scientific and technological development in the area of new materials contributed to several applications of niobium and its alloys in nuclear power plants as well as in aerospace, aeronautics, automobile and naval industries. This paper presents the interstitial diffusion coefficients of nitrogen in solid solution in the Nb-1.0wt%Zr alloy using internal friction measurements obtained by mechanical spectroscopy, which uses a torsion pendulum operating at an oscillation frequency between 1.0 Hz and 10.0 Hz. The temperature range varies from 300K to 700K, at a heating rate of 1 K/min and vacuum better than 2 x 10(-6) Torr. The results showed an increase of the interstitial diffusion coefficient of nitrogen that was correlated with configurational considerations for the octahedral interstitials.