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Desenvolvimento de nanocompósitos baseados em hidrogéis aplicados à liberação de nutrientes agrícolas
(Universidade Federal de São Carlos, 2014-03-21)
Nanocomposites were developed based on polyacrylamide hydrogels (PAAm) and methylcellulose (MC) reinforced with montmorillonite (MMT), undergoing the materials to subsequent hydrolysis process and evaluating their loading ...
Estudo teórico de propriedades estruturais e elétricas de filmes automontados de moléculas orgânicas
(Universidade Federal de São Carlos, 2014-11-21)
Compact models of ionized and nonionized Langmuir monolayers of stearic acid adsorbed on the water were simulated by means of atomistic molecular dynamics. The electrostatic, structural and dynamic properties of the molecules ...
Síntese e propriedades fotocatalíticas de heteroestruturas TiO2/SnO2
(Universidade Federal de São Carlos, 2014-03-14)
Heterostructures, systems containing two dissimilar semiconductors in direct contact, has been applied in heterogeneous photocatalysis due to their electronic properties. This work aimed at studying heterostructures ...
Estudo da ruptura dielétrica durante a anodização de zircônio e o seu efeito sobre o processo de dopagem anódica de ZrO2
(Universidade Federal de São Carlos, 2012-05-09)
In this work the fundamental aspects of electrolytic breakdown in ZrO2 films were investigated. The electrolytic breakdown is a type of dielectric breakdown that occurs during galvanostatic growth of anodic oxides. To ...
Uso da modelagem molecular na solução de problemas em química
(Universidade Federal de São Carlos, 2014-08-29)
The studies presented herein show the use of molecular modelling coupled to spectroscopic data to tackle four different problems in organic chemistry. In the first study, the sulfonylation of the primary hydroxyl group of ...
Síntese, caracterização e testes eletroquímicos de dióxido de manganês nanométrico como material de eletrodo de supercapacitores
(Universidade Federal de São Carlos, 2018-08-01)
Manganese dioxide was synthesized by a microwave-hydrothermal method using alternative, unprecedented and completely soluble reagents. For such, potassium permanganate and acetone were dissolved in different proportions ...
Simulação do crescimento de filmes sobre metais. O caso voltamétrico
(Universidade Federal de São Carlos, 2008-07-02)
In this work the anodic film growth on metals has been studied, under voltammetric conditions by simulation. It was supposed that: a) the films are ultrathin, i.e., the concentration gradient contributions for the ionic ...
Estudo teórico das propriedades ópticas dos BaWO4 e PbWO4
(Universidade Federal de São Carlos, 2012-09-21)
Among the scheelites, we highlight the Barium Tungstats (BaWO4) and lead tungstate (PbWO4). These compounds can be synthesized by various synthetic routes. However, we can highlight the hydrothermal synthesis method assisted ...
Termodinâmica de líquidos iônicos via simulação computacional.
(Universidade Federal de São Carlos, 2006-10-04)
In this work classical molecular dynamics was used to study the
pure ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate,
[BMIM]+[BF4]-, and some solutions based in it. The OPLS-AA force field and
CHelpG derived ...
Novo enfoque no estudo da transição de fase composicional da solução sólida ferroelétrica (Pb,Ca)TiO3
(Universidade Federal de São Carlos, 2006-11-13)
Ferroelectric materials have a vast application in modern industry as data storage devices. Some of this materials, as the ferroelectric oxides class ABO3, have phase transitions with the alteration of of the lattice ...