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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...