In this work, ZnAl2O4 spinel was used as photocatalyst for dye degradation in aqueous solutions under UV irradiation. This material was prepared by a route with chitosan as template. The effects of process variables, such as, initial dye concentration and photocatalyst concentration were investigated. Kinetic parameters were obtained and the reaction order was determined. The results revealed that both studied variables presented strong influence on the dye degradation efficiency, which attained 100% in some cases. It was found that the dye photocatalytic degradation under UV irradiation followed a first order kinetic behavior. The results indicated that ZnAl2O4 spinel can be used to treat dye containing effluents

En este trabajo se investigó la aplicabilidad de la ecuación de estado cúbica, de Van der Waals, con translación en volumen (vdWt). Para la regla de mezcla, se aplicó el método de Huron-Vidal modificado (MHV2), con el modelo UNIFAC (UNIQUAC funcional coeficiente de actividad) para describir datos del equilibrio de fases y la densidad para una serie de sistemas complejos; en amplias gamas de temperatura (T) y presión (P). Se encontraron algunas limitaciones en la predicción de los datos experimentales recogidos, por ejemplo, en los sistemas con componentes altamente asociativos, la ecuación vdWt+MHV demostró capacidad para representar de manera satisfactoria, tanto el equilibrio de fases como el comportamiento volumétrico.

This work investigated the applicability of the van der Waals cubic equation of state (EoS) with volume translation (vdWt), using the modified Huron-Vidal (MHV2) mixing rule with the UNIFAC (UNIQUAC Functional Activity Coefficients) model for describing phase equilibrium and density data for a series of complex systems over wide ranges of temperature (T) and pressure (P). Some limitations were identified in the prediction of the experimental data collected, e.g., systems with highly associating components, but in general, the EoS vdWt+MHV was able to satisfactorily represent both phase equilibrium and volumetric behavior.

In order to correlate and optimize experimental data either from the laboratory or industry, one needs a robust method of data regression. Among the non-linear parameter estimation methods it may be pointed out of Levenberg, which applies the conversion of an arbitrary matrix into a positive definite one. Later, Marquardt applied the same procedure, calculating λ parameter in an iterative form. The Levenberg-Marquardt algorithm is described and two routine for correlating vapor-liquid equilibrium data for pure component and mixtures, based on this efficient method, have been applied. The routines have been written with an interface very accessible for both users and programmers, using Python language. The flexibility of the developed programs for introducing the desired details is quite interesting for both process simulators and modeling properties. Furthermore, for mixtures with electrolytes, it was obtained a coherent and compatible relation for the structural parameters of the salt species, with the aid of the method and the graphical interface designed

The enzymatic synthesis of amoxicillin is catalyzed by Penicillin G Acylase (PGA). As byproducts, hydroxyphenylglycine and alcohol are also formed from hydrolytic reactions and antibiotic synthesis, respectively. The design of this process should be directed to promote the synthesis reaction. At the same time, it is necessary to reduce the hydrolytic reaction of amoxicillin through its crystallization or separation from the reaction medium. This work presents measurements of solid-liquid equilibrium data for amoxicillin and hydroxyphenylglycine in water at different temperatures (283.15 - 298.15 K), pH (5.5 - 7.5) and ethanol composition (0 - 70 wt.%). This information is relevant to determine the conditions that offer the lowest solubility for the antibiotic, favoring its separation and purification. All solubility data were obtained using an analytical method with indirect determination by UV spectroscopy. Ideal thermodynamic modeling was applied to describe the experimental solubility data sets.

The photodecomposition of hydrogen peroxide was performed in highly saline aqueous medium (60 g.L-1 of NaCl). The Fe3+/H2O2/NaCl/UV system was tested at temperatures from 20 to 50 ºC, while the intervals of concentration of Fe3+ and H2O2 were 1 to 2.5 mM and 230 to 630 mM, respectively. It is known from the literature that chloride is an inhibitor of the oxidation of organic compound in aqueous medium, but this effect has not been observed to be expressive for hydrogen peroxide. Despite this result, experiments were conducted in presence of high concentration of salt (60 g.L-1), emulating the agrochemical process condition. The series of measurements has been evaluated and correlated. Thermal and photochemical dependencies were described satisfactorily by a simplified kinetic model. The apparent activation energy was estimated to be 27.6 kJ.mol-1.

The odoriferous species Lippia sidoides Cham. is abundant in the Brazilian Northeast. Its essential oil possesses antiseptic activity due to the presence of thymol. In this work, thermodynamic and kinetic data were experimentally determined for the CO2 + L. sidoides system. Solubility was determined using the dynamic method at pressures of 66.7 and 78.5 bar and temperatures of 283.15, 288.15, 293.15, 295.15, and 298.15 K. SFE kinetic data were obtained at 288.15 K and 66.7 bar. The composition of the multicomponent solute mixture was determined by GC-MS and compared to the composition of both the volatile oil obtained by steam distillation and the oleoresin obtained using ethanol. The SFE process yield was higher than the yield of either the steam distillation or the ethanol extraction. The solubilities were correlated using the Peng-Robinson equation of state with one binary interaction parameter for the attractive term, considering the essential oil as a pseudo-component. Sovová’s model quantitatively described the overall extraction curve.

A method to correlate and predict salt solubilities in mixed solvents using a UNIQUAC+Debye-Hückel model is developed. The UNIQUAC equation is applied in a form with temperature-dependent parameters. The Debye-Hückel model is extended to mixed solvents by properly evaluating the dielectric constants and the liquid densities of the solvent media. To normalize the activity coefficients, the symmetric convention is adopted. Thermochemical properties of the salt are used to estimate the solubility product. It is shown that the proposed procedure can describe with good accuracy a series of salt solubility measurements in aqueous organic solvent mixtures.