Departament de Ciència dels Materials i Química Física: Recent submissions
Now showing items 21-40 of 55
Pretreatment to the leaching of copper sulphides minerals in oxidizing media
La producción chilena de cobre procede de la hidrometalurgia y la concentración; el concentrado de cobre es tratado tradicionalmente mediante pirometalurgia. De acuerdo a Cochilco, el cobre producido en el año 2019, vía ...
Coupling of binding and conformational equilibria in weak polyelectrolytes. Dynamics and charge regulation of biopolymers in crowded media.
I have carried out this thesis in the Biophysical Chemistry of Macromolecules and Colloids research group of the University of Barcelona. In the recent years, the research group have made significant contributions to the ...
Computational Modelling of TiO2 and Mg-silicate nanoclusters and nanoparticles - Crystallinity and Astrophysical Implications
The research presented in this thesis contributes to the understanding of both titania and silicate nanosystems by providing new information on energetic stability and properties of nanometer sized particles using computational ...
Processes and catalysts for the electrochemical removal of persistent organic micropollutants from urban wastewater at mild Ph
Organic micropollutants, including pharmaceuticals, personal care products (PCPs), pesticides, dyes and many other industrial chemicals have become one of the most solid barriers for the effective and safe wastewater ...
Theoretical reaction and relaxation dynamics in superfluid helium nanodroplets
The study of superfluid helium has been carried out mainly by physicists. In recent years, taking advantage of the potentialities presented by superfluid helium nanodroplets (HeNDs) as inert matrices at very low temperatures ...
Models and Computational Methods Applied to Industrial Gas Separation Processes and Enhanced Oil Recovery
Two main topics are treated in this doctoral thesis from a theoretical and computational point of view: the gas capture and separation from post-combustion flue gases, and the enhanced oil recovery from oil reservoirs. The ...
Desenvolupament de sistemes superhidrofòbics sobre substrats metàl·lics: estudi de l’estabilitat i la seva aplicació amb criteris de sostenibilitat
A la natura existeixen diferents animals o plantes com ara els sabaters (Gerris remigis), la flor de lotus (Nelumbo nucifera) o les fulles d’arròs (Oriza sativa) que presenten propietats extraordinàries com ara l’auto-neteja ...
Estudio de desechos industriales usados como materiales de almacenamiento de energía termoquímica
Los sistemas de almacenamiento de energía termoquímica presentan la ventaja de usar materiales que almacenan una alta densidad energética por un tiempo ilimitado, características importantes para ser aprovechadas para ...
Mechanical and functional properties in magnetic materials
This doctoral Thesis has been focused on the preparation of magnetic materials by different methods, the characterization of their structural characteristics, and the understanding of their mechanical and magnetic properties. ...
Study of solid particle materials as high temperature Thermal Energy Storage and Heat Transfer Fluid for Concentrating Solar Power
Renewable energies have a major role in today’s energy systems development, energy security and climate change fight. Thermal Concentrating Solar Power (CSP) has the potential to get up to 11.3% of world’s electricity ...
Transport and assembly of colloids in liquid crystals
Particles dispersed in nematic liquid crystals (NLCs), also called nematic colloids, are nowadays typical experimental systems studied in the field of Soft Matter. In this scenario, the interactions and forces between ...
Monte Carlo based methods applied to heterogeneous catalysis and gas separation
The research work presented in this thesis is divided in two main topics: gas separation and heterogeneous catalysis. Although the systems studied in one part and another are quite different, they share two fundamental ...
Rationalization of the Mechanism of Bistability in Dithiazolyl-based Molecular Magnets
In this work, we characterized and studied the properties associated to DTA-based bistable organic molecular magnetic systems, namely PDTA and TDPDTA, respectively. In both cases, the low and high temperature phases have ...
Hidrofobicitat en metalls modificats superficialment
La modificació de les superfícies dels materials permet obtenir propietats diferents a les que presenta el substrat prèviament o preservar-lo del medi que l’envolta. Les tècniques emprades amb aquest objectiu són molt ...
Modelling Nano-Oxide Materials with Technological and Environmental Relevance: Silica, Titania and Titanosilicates
Properties of nanomaterials are known to be size dependent and generally are very different from those of the corresponding bulk. Such behaviour, which is strongly system and structure dependent, allows one to tune material’s ...
Quantum Confinement of Gaseous Molecules in Nanostructures: Effects on the Dynamics and Internal Structure
Quantum confinement effects, understood as the changes on the structure and dynamics of a molecule when it goes from a free environment to a cavity with some characteristic length of the order of the nanometer, represent ...
Heterogeneous catalysis of green chemistry reactions on molybdenum carbide based catalysts
Our society has a problem with the use of fossil fuels, due to the vast and exceeding emissions derived from human activities. Two ways could be consider to mitigate these harmful effects. On the one hand, the capture, ...
Structural organization of model membranes: a complementary approach combining atomic force microscopy and X-ray techniques
Biological membranes (BMs) are self-sealing boundaries, which confine the permeability barriers of cells and organelles and provide the means to compartmentalize functions. Apart from being crucial for the cell structure, ...
Rational chemical design of Triarylmethyl-based devices and 2D materials
In this PhD thesis I have studied through state-of-the-art quantum simulations (mainly within the density functional theory approach, DFT) triarylmethyl (TAM) based systems with potential for future nano-devices and designed ...
Detección y caracterización de péptidos, proteínas y glicoproteínas como biomarcadores en fluidos biológicos. Aplicación al diagnóstico y seguimiento de diversas patologías
Esta tesis doctoral se ha centrado en el desarrollo de metodologías analíticas adecuadas que permitan la separación, detección, caracterización e identificación de proteínas y metabolitos como biomarcadores de diferentes ...
