Simulação computacional de materiais bidimensionais: funcionalização de defeitos extensos no grafeno e retenção de contaminantes por argilominerais

In this work are considered two bidimensional systems, with distints chacacteristcs and applicabilitys. Is studied the adsorption of transition metals (MT) Fe, Co, Mn and Ru in extended defects, formed by graphene grain boundaries. First in pristine graphene The hollow site of carbon hexagon, in pristine graphene, are the most stable for MT adsorption. The Dirac cone in eletronic structure of graphene was manteined with the presence of MT. For the considered grain boundaries the MT has a greater stability for absorption in the grain boundaries sites in comparison with pristine graphene. Through the energy barrier values, are observed diffusion chanels for MT localized on the grain boundaries. This diffusion chanels indicate a possible formation of nanolines of MT in graphene. For the first stage of the nanolines, ate observed a better stability for the system with greater MT concentration, due to MT-MT interactions. Also, due to the magnetic moment of the MT, the nanolines show a magnetization. For the most stable configurations the system are metallics, particularly for Fe the band structure indicates an anisotropic spin current. In a second study, are considereted the retention capacity for metallic contaminants Cd and Hg in clayminerals, kaolinite (KAO) and montmorillonite (MMT). Through the adsorption energies of contaminantes in the clayminerals, was observed a increase in stability with the increase of contaminants concentration, due to the interaction Cd-Cd and Hg-Hg. Also, was observed that KAO has a strong interaction beteween monolayers than MMT. In this sence, for the adsoption process of contaminantes in the natural form of KAO and MMT, the latter has a better retention capacity, due to the small net work for contaminant intercalation. However, when the modification of clayminerals, with molecules that increase the spacing between monolayers, exist a optimal condition, which the contaminant absorption are more stable in KAO system than in MMT. In the Langmuir adsorption model for the clayminerals in the optimal monolayer spacing, the retention capacity for Cd and Hg in KAO system are 21% greater than in MMT system. Also, for the X-ray Absorption Near Edge Spectroscopy (XANES) for the K edge of Cd and Hg, are found a positive shift of absorption edge with the decreasing of monolayer spacing. This result indicates a possible way to determine the concentration of adsorbed contaminats in relation to unabsorbed ones, from the decomposition of experimental XANES in the obteined spectras.

Fatores pré-abate que influenciam na qualidade da carne de frangos griller

The consumption of a product is directly linked to its quality, and are required to comply with quality standard regulations. In chicken "griller" which comes from industrial strains, selected for best growth performance, shot with up to 35 days old and weighing 1,400kg, they have not been reported in the literature a number of quality aspects This study aimed determine the muscle transformation time in the flesh in chickens "griller" incidence of meat defects, "PSE" (pale, soft and exdudative) and "DFD" (dark, firm and dry) and their correlation between different window times slaughter (total time between beginning of the fasting and the time of slaughter) and pH curve, four different times post mortem. The base data for the study was composed of information of 208 chickens, collected between August and September 2014, in a slaughterhouse slaughtering chickens in the middle region of Triangulo Mineiro and Alto Paranaíba. We used the Minitab 17.1.0 program for the development of descriptive statistical analysis and Pareto charts. The Pearson correlation was used to evaluate the linear relationship between two variables and Excel 2013, Microsoft Office®, to produce tables and graphs. The analysis consisted of 11 chickens cities and the distance to the poultry slaughterhouse ranged from 24.5 km to 123 km. It was observed that the pH curve decays gradually until time 5horas after slaughter, and its increase was 24, indicating the transformation of the muscle meat. The incidence of regular meat was 39.9%, "DFD" 30.3% and "PSE" 29.8%. For "DFD" meat, it was observed that factors: low ambient temperature, longer transportation and fast window and mileage at dirt road, contributed to its occurrence (p <0.05). For "PSE" meat, it was observed that lower body weight factors, longer transport favored frequency (p <0.05) of the meat defect. There was no significant correlation in variance analysis between distance, waiting time at rest shed and humidity related to meat defects (p> 0.05). This high incidence of defects meat may be due to pre-slaughter stress factors.