Thermal analysis kinetics applied to flame retardant polycarbonate

The degradation kinetics of polycarbonate with flame retardant additive was investigated by means of thermogravimetric analysis. The samples were heated from 30 to 900°C in nitrogen atmosphere, with three different heating rates: 5, 10 and 20°C min^–1. The Vyazovkin model-free kinetics method was applied to calculate the activation energy (E _a) of the degradation process as a function of conversion and temperature. The results indicated that the polycarbonate without flame retardant additive starts to loose mass slightly over 380°C and the polycarbonate with flame retardant additive, slightly over 390°C (with heating rate of 5°C min^–1). The activation energy for flame retardant polycarbonate and normal polycarbonate were 190 and 165 kJ mol^–1, respectively.     

Electronic and vibrational hyperpolarizabilities of alkali- and alkaline-earth-doped boron nitride nanotubes

This work reports the results of the vibrational corrections and frequency dependence to the first hyperpolarizabilities of the alkali- and alkaline-earth-doped boron nitride nanotubes. The electronic contributions were computed by means of the density functional theory with the M06-2X functional, and the vibrational corrections were calculated using the perturbation theoretical method and the field-induced coordinates methodology. The results for the electronic contribution show that such materials exhibit large first hyperpolarizabilities and electride characteristic. We also show that the distribution of the excess electron, which originates from the doping atoms, plays an important role in the large electronic hyperpolarizabilities (β^el). Moreover, our findings strongly indicate that the effect of vibrations on the hyperpolarizabilities can be quite important and can even be much larger than the electronic counterpart.     

On the equivalence between implicit regularization and constrained differential renormalization

Constrained differential renormalization (CDR) and the constrained version of implicit regularization are two regularization independent techniques that do not rely on dimensional continuation of the space-time. These two methods, which have rather distinct bases, have been successfully applied to several calculations, which show that they can be trusted as practical, symmetry invariant frameworks (gauge and supersymmetry included) in perturbative computations even beyond one-loop order. In this paper, we show the equivalence between these two methods at one-loop order. We show that the configuration space rules of CDR can be mapped into the momentum-space procedures of implicit regularization, the major principle behind this equivalence being the extension of the properties of regular distributions to regularized ones. PACS 11.10.Gh; 11.15.Bt; 11.15.-q     

Treatment of chromium effluent by adsorption on chitosan activated with ionic liquids

This study proposes, verifies, and refines the use of biopolymers treated with two new ionic liquids (ILs) (sec-butylammonium acetate and n-octylammonium acetate), as a platform for chromium adsorption. The ILs were synthesized, characterized, and applied to chitosan treatment. Analyzing the size distribution of microparticles of chitosan and chitosan activated with ILs (sec-butylammonium acetate and n-octylammonium acetate), we observed that a little decrease in the particle size occurred with the activation of chitosan (176 ± 0.02 μm to 167 ± 0.054 and 168.5 ± 0.05 μm, respectively), as well as changes in the X-ray diffraction FTIR_ATR spectra. Further studies were performed using the best adsorbent – chitosan treated with sec-butylammonium acetate. In this case, the chromium VI concentration in the sample was reduced by more than 99% when using chitosan treated with IL sec-butylammonium acetate. The best reaction time was determined as 1 h, which allowed a chromium adsorption of 99.1% and the adsorption kinetic data were best represented by the second-order model (k₂ = 11.7258 g mg^?1 min^?1). The maximum adsorption capacity was obtained using the Langmuir isotherm model (20.833 mg g^?1 at pH 4 during 1 h, using 1.0 g of chitosan), and the adsorption efficiency was enhanced at 25 °C by the Freundlich isotherm model, in which the constants KF and n were determined as 0.875 mg L^?1 and 1.610, respectively.     

Investigation in SrTiO<Subscript>3</Subscript>-CaTiO<Subscript>3</Subscript>-PbTiO<Subscript>3</Subscript> ternary thin films by dielectric proprieties and Raman spectroscopy

Dielectric and Raman scattering experiments were performed on polycrystalline Pb_1−x−yCa_xSr_yTiO₃ thin films as a function of temperature. Temperature-dependent dielectric measurements revealed a decreasing ferroelectric-to-paraelectric phase transition temperature and peak dielectric permittivity showed a broad phase transition near room temperature with increasing levels of CaO₁₂ and SrO₁₂ clusters. Therefore, for higher levels of substitution, the possible random position of the CaO₁₂ and SrO₁₂ clusters leads to a diffuse state. At 100 kHz, the ferroelectric-to-paraelectric phase transition temperatures were 633, 495 and 206 K for PCST90 (Pb_0.90Ca_0.05Sr_0.05TiO₃), PCST70 (Pb_0.70Ca_0.15Sr_0.15TiO₃) and PCST30 (Pb_0.30Ca_0.35Sr_0.35TiO₃) thin films, respectively. The evolution of the Raman spectra was also studied as a function of temperature. The temperature dependence of the E(1TO) soft mode frequencies was used to characterize the phase transition. Raman peaks were observed above the ferroelectric-to-paraelectric phase transition temperature, although all optical modes should be inactive in Raman scattering. The origin of these modes was interpreted as a breakdown of the local cubic symmetry by the random distribution of CaO₁₂ and SrO₁₂ clusters.     

The dynamic behavior of a cantilever beam coupled to a non-ideal unbalanced motor through numerical and experimental analysis

An excitation force that is not influenced by the system state is said to be an ideal energy source. In real situations, a direct and feedback coupling between the excitation source and the system must always exist at a certain level. This manifestation of the law of conservation of energy is known as the Sommerfeld effect. In the case of obtaining a mathematical model for such a system, additional equations are usually necessary to describe the vibration sources with limited power and its coupling with the mechanical system. In this work, a cantilever beam and a non-ideal DC motor fixed to its free end are analyzed. The motor has an unbalanced mass that provides excitation to the system which is proportional to the current applied to the motor. During the coast up operation of the motor, if the drive power is increased slowly, making the excitation frequency pass through the first natural frequency of the beam, the DC motor speed will remain the same until it suddenly jumps to a much higher value (simultaneously its amplitude jumps to a much lower value) upon exceeding a critical input power. It was found that the Sommerfeld effect depends on some system parameters and the motor operational procedures. These parameters are explored to avoid the resonance capture in the Sommerfeld effect. Numerical simulations and experimental tests are used to help gather insight of this dynamic behavior.     

A deeper analysis of the second order polarization mode dispersion in optical communications systems

This article presents a new approach to the combined analysis of the first and second-order polarization mode dispersion (SOPMD) and shows their importance in optical communication systems performance. How it affects the relation between second-order polarization mode dispersion (PMD) and the differential group delay (DGD) in a single mode fiber is discussed. The analysis is based on time or wavelength and temperature variations changing/impacting PMD and DGD measured values. We present long term statistical characteristics of second-order PMD over a PMD emulator, and investigate the correlation between SOPMD, depolarization (DEP) and polarization dependent chromatic dispersion (PCD). Some authors calculate these modes from measurements obtained from the first order polarization mode dispersion, assuming a positive correlation between these effects, but this not the real relationship between them. A new interpretation of SOPMD was used to analyze the problem of the spectral stability in terms of the temperature. Actual techniques for determination SOPMD, consequently DEP and PCD, use the variation in time and/or wavelength. In some studies the results obtained for SOPMD are correlated to first-order PMD (FOPMD). This paper shows, based on measurements, that the correlation between first and second order Polarization Mode Dispersion (PMD) in the case where the last one is a function of the temperature can assume positive or negative values.     

Asymmetric chemoenzymatic synthesis of N-acetyl-α-amino esters based on lipase-catalyzed kinetic resolutions through interesterification reactions

Several phenylalanine analogs have been synthesized through a four-step route starting from easily available ethyl acetamidocyanoacetate. In a first reaction, and making use of phase transfer catalysts, this compound reacted with several alkyl halides, being benzyltributylammonium chloride identified as the best one for the production of a series of quaternary amino acids in moderate to excellent yields (52–95%). Then, the corresponding N-acetyl-phenylalanine methyl and allyl ester derivatives were obtained through acidic hydrolysis, esterification, and N-acetylation. Rhizomucor miehei lipase was found as a versatile enzyme for the resolution of these amino esters, finding the best results through interesterification reactions with butyl butyrate in acetonitrile. A great influence in the stereoselectivity was found depending on the chemical structure of the compound, achieving for the non- or para-substituted in the phenyl ring excellent stereoselectivities, being moderate for the meta-nitro derivative, while the ortho-nitro amino ester did not react.     

Improvement of electrical properties of Sr-modified (Pb,Ca)TiO3 thin films grown by soft chemistry route

Strontium and calcium-modified lead titanate (Pb_0.70Ca_0.15Sr_0.15)TiO₃ soft chemistry-derived thin films were prepared on platinum-coated silicon substrate by spin-coating method. Investigations were made on the structure, surface morphology and electrical properties of the film. The results by XRD and FE-SEM showed that the film exhibits a pure tetragonal perovskite phase and an average grain size of about 50-60 nm, respectively. Electrical measurements of a metal-ferroelectric-metal type capacitor exhibited a stable and switchable electrical polarization in the film. The structure of the Au/PCST/Pt capacitor showed well-saturated hysteresis loops at an applied voltage of 300 kV/cm with remanent polarization and coercive field values of 22 μC/cm² and 100 kV/cm, respectively. At 100 kHz, the dielectric constant and the dielectric loss of the (Pb_0.70Ca_0.15Sr_0.15)TiO₃ thin film with thickness 240 nm were 528 and 0.05, respectively.     

Effect of strontium addition on ferroelectric phase transition of PZT thin films prepared by chemical route

The dependence of ferroelectric phase transition temperature as a function of strontium substitution in lead titanate zirconate thin films (referred here as PSZT) on platinum-coated silicon substrates was investigated. The dielectric study reveals that the material undergoes a diffuse type ferroelectric phase transition that depends on the substitution of Sr for Pb in PZT. At 100 kHz, the phase transition temperatures were 633, 613 and 516 K for PSZT10, PSZT20 and PSZT30 thin films, respectively. On the other hand, the results showed that the dependence of the dielectric constant upon the frequency does not reveal any relaxor behavior. The diffusivity increases with increasing Sr contents in the studied composition range. The experimental data obtained from measurements of the dielectric constant as a function of temperature and frequencies showed a classical behavior of ferroelectric phase transition in PSZT thin films, rather than a relaxor ferroelectric phase transition. The transition temperature decreases with increasing Sr contents due to the decrease in grain size, lattice decrease and local structural disorder.