Catalytic decomposition of formic acid using supported metal nanoparticles

Upgrade of hydrogen to valuable fuel is a central topic in modern research due to its high availability and low price. For the difficulties in hydrogen storage, different pathways are still under investigation. A promising way is in the liquid-phase chemical hydrogen storage materials, because they can lead to greener transformation processes with the on line development of hydrogen for fuel cells. The aim of my work was the optimization of catalysts for the decomposition of formic acid made by sol immobilisation method (a typical colloidal method). Formic acid was selected because of the following features: it is a versatile renewable reagent for green synthesis studies. The first aim of my research was the synthesis and optimisation of Pd nanoparticles by sol-immobilisation to achieve better catalytic performances and investigate the effect of particle size, oxidation state, role of stabiliser and nature of the support. Palladium was chosen because it is a well-known active metal for the catalytic decomposition of formic acid. Noble metal nanoparticles of palladium were immobilized on carbon charcoal and on titania. In the second part the catalytic performance of the “homemade” catalyst Pd/C to a commercial Pd/C and the effect of different monometallic and bimetallic systems (AuxPdy) in the catalytic formic acid decomposition was investigated. The training period for the production of this work was carried out at the University of Cardiff (Group of Dr. N. Dimitratos).

Study of Co-based hydrotalcite-derived mixed metal oxides partially modified with silver as potential catalysts for N2O decomposition

Co-Al-Ox mixed metal oxides partially modified with Cu or Mg, as well as Ag were successfully prepared, characterized and evaluated as potential catalysts for the N2O decomposition. The materials were characterized by the following techniques: X-Ray Diffraction, Thermogravimetric Analysis (TGA), N2 Physisorption, Hydrogen Temperature-Programmed Reduction (H2-TPR), and X-ray photoelectron spectroscopy (XPS). Ag-modified HT-derived mixed oxides showed enhanced activity compared to the undoped materials, the optimum composition was found for (1 wt.% Ag)CHT-Co3Al. The catalyst characterization studies suggested that the improved catalytic activity of Ag-promoted catalysts were mainly because of the altered redox properties of the materials.

Domain decomposition methods for some aerodynamic noise problems

Abstract not available

A domain decomposition based algorithm for non-linear 2D inverse heat conduction problems

Inverse heat conduction problems (IHCPs) appear in many important scientific and technological fields. Hence analysis, design, implementation and testing of inverse algorithms are also of great scientific and technological interest. The numerical simulation of 2-D and –D inverse (or even direct) problems involves a considerable amount of computation. Therefore, the investigation and exploitation of parallel properties of such algorithms are equally becoming very important. Domain decomposition (DD) methods are widely used to solve large scale engineering problems and to exploit their inherent ability for the solution of such problems.

Time domain decomposition for European options in financial modelling

Finance is one of the fastest growing areas in modern applied mathematics with real world applications. The interest of this branch of applied mathematics is best described by an example involving shares. Shareholders of a company receive dividends which come from the profit made by the company. The proceeds of the company, once it is taken over or wound up, will also be distributed to shareholders. Therefore shares have a value that reflects the views of investors about the likely dividend payments and capital growth of the company. Obviously such value will be quantified by the share price on stock exchanges. Therefore financial modelling serves to understand the correlations between asset and movements of buy/sell in order to reduce risk. Such activities depend on financial analysis tools being available to the trader with which he can make rapid and systematic evaluation of buy/sell contracts. There are other financial activities and it is not an intention of this paper to discuss all of these activities. The main concern of this paper is to propose a parallel algorithm for the numerical solution of an European option. This paper is organised as follows. First, a brief introduction is given of a simple mathematical model for European options and possible numerical schemes of solving such mathematical model. Second, Laplace transform is applied to the mathematical model which leads to a set of parametric equations where solutions of different parametric equations may be found concurrently. Numerical inverse Laplace transform is done by means of an inversion algorithm developed by Stehfast. The scalability of the algorithm in a distributed environment is demonstrated. Third, a performance analysis of the present algorithm is compared with a spatial domain decomposition developed particularly for time-dependent heat equation. Finally, a number of issues are discussed and future work suggested.

Development of a domain decomposition method for computational aeroacoustics

Abstract not available

Decomposition, recomposition, speculation: The contribution of the Treatise of Choisy for the architectural survey, a pedagogical approach

info:eu-repo/semantics/inPress

Scalable unstructured mesh decomposition

As the efficiency of parallel software increases it is becoming common to measure near linear speedup for many applications. For a problem size N on P processors then with software running at O(N=P ) the performance restrictions due to file i/o systems and mesh decomposition running at O(N) become increasingly apparent especially for large P . For distributed memory parallel systems an additional limit to scalability results from the finite memory size available for i/o scatter/gather operations. Simple strategies developed to address the scalability of scatter/gather operations for unstructured mesh based applications have been extended to provide scalable mesh decomposition through the development of a parallel graph partitioning code, JOSTLE [8]. The focus of this work is directed towards the development of generic strategies that can be incorporated into the Computer Aided Parallelisation Tools (CAPTools) project.

A Decomposition, Construction and Post-Processing Approach for Nurse Rostering

This paper presents our work on decomposing a specific nurse rostering problem by cyclically assigning blocks of shifts, which are designed considering both hard and soft constraints, to groups of nurses. The rest of the shifts are then assigned to the nurses to construct a schedule based on the one cyclically generated by blocks. The schedules obtained by decomposition and construction can be further improved by a variable neighborhood search. Significant results are obtained and compared with a genetic algorithm and a variable neighborhood search approach on a problem that was presented to us by our collaborator, ORTEC bv, The Netherlands. We believe that the approach has the potential to be further extended to solve a wider range of nurse rostering problems.

Analyse des signaux radars polarimétriques en bandes C et L pour le suivi de l'humidité du sol de sites forestiers

Résumé : Dans les couverts forestiers, le suivi de l’humidité du sol permet de prévenir plusieurs désastres tels que la paludification, les incendies et les inondations. Comme ce paramètre est très dynamique dans l’espace et dans le temps, son estimation à grande échelle présente un grand défi, d’où le recours à la télédétection radar. Le capteur radar à synthèse d’ouverture (RSO) est couramment utilisé grâce à sa vaste couverture et sa résolution spatiale élevée. Contrairement aux sols nus et aux zones agricoles, le suivi de l’humidité du sol en zone forestière est très peu étudié à cause de la complexité des processus de diffusion dans ce type de milieu. En effet, la forte atténuation de la contribution du sol par la végétation et la forte contribution de volume issue de la végétation réduisent énormément la sensibilité du signal radar à l’humidité du sol. Des études portées sur des couverts forestiers ont montré que le signal radar en bande C provient principalement de la couche supérieure et sature vite avec la densité de la végétation. Cependant, très peu d’études ont exploré le potentiel des paramètres polarimétriques, dérivés d’un capteur polarimétrique comme RADARSAT-2, pour suivre l’humidité du sol sur les couverts forestiers. L’effet du couvert végétal est moins important avec la bande L en raison de son importante profondeur de pénétration qui permet de mieux informer sur l’humidité du sol. L’objectif principal de ce projet est de suivre l’humidité du sol à partir de données radar entièrement polarimétriques en bandes C et L sur des sites forestiers. Les données utilisées sont celles de la campagne terrain Soil Moisture Active Passive Validation EXperiment 2012 (SMAPVEX12) tenue du 6 juin au 17 juillet 2012 au Manitoba (Canada). Quatre sites forestiers de feuillus ont été échantillonnés. L’espèce majoritaire présente est le peuplier faux-tremble. Les données utilisées incluent des mesures de l’humidité du sol, de la rugosité de surface du sol, des caractéristiques des sites forestiers (arbres, sous-bois, litières…) et des données radar entièrement polarimétriques aéroportées et satellitaires acquises respectivement, en bande L (UAVSAR) à 30˚ et 40˚ et en bande C (RADARSAT-2) entre 20˚ et 30˚. Plusieurs paramètres polarimétriques ont été dérivés des données UAVSAR et RADARSAT-2 : les coefficients de corrélation (ρHHVV, φHHVV, etc); la hauteur du socle; l’entropie (H), l’anisotropie (A) et l’angle alpha extraits de la décomposition de Cloude-Pottier; les puissances de diffusion de surface (Ps), de double bond (Pd) extraites de la décomposition de Freeman-Durden, etc. Des relations entre les données radar (coefficients de rétrodiffusion multifréquences et multipolarisations (linéaires et circulaires) et les paramètres polarimétriques) et l’humidité du sol ont été développées et analysées. Les résultats ont montré que 1) En bande L, plusieurs paramètres optimaux permettent le suivi de l’humidité du sol en zone forestière avec un coefficient de corrélation significatif (p-value < 0,05): σ[indice supérieur 0] linéaire et σ[indice supérieur 0] circulaire (le coefficient de corrélation, r, varie entre 0,60 et 0,96), Ps (r entre 0,59 et 0,84), Pd (r entre 0,6 et 0,82), ρHHHV_30˚, ρVVHV_30˚, φHHHV_30˚ and φHHVV_30˚ (r entre 0,56 et 0,81) alors qu’en bande C, ils sont réduits à φHHHV, φVVHV et φHHVV (r est autour de 0,90). 2) En bande L, les paramètres polarimétriques n’ont pas montré de valeur ajoutée par rapport aux signaux conventionnels multipolarisés d’amplitude, pour le suivi de l’humidité du sol sur les sites forestiers. En revanche, en bande C, certains paramètres polarimétriques ont montré de meilleures relations significatives avec l’humidité du sol que les signaux conventionnels multipolarisés d’amplitude.

Plant-derived compounds stimulate the decomposition of organic matter in arctic permafrost soils

Arctic ecosystems are warming rapidly, which is expected to promote soil organic matter (SOM) decomposition. In addition to the direct warming effect, decomposition can also be indirectly stimulated via increased plant productivity and plant-soil C allocation, and this so called "priming effect" might significantly alter the ecosystem C balance. In this study, we provide first mechanistic insights into the susceptibility of SOM decomposition in arctic permafrost soils to priming. By comparing 119 soils from four locations across the Siberian Arctic that cover all horizons of active layer and upper permafrost, we found that an increased availability of plant-derived organic C particularly stimulated decomposition in subsoil horizons where most of the arctic soil carbon is located. Considering the 1,035 Pg of arctic soil carbon, such an additional stimulation of decomposition beyond the direct temperature effect can accelerate net ecosystem C losses, and amplify the positive feedback to global warming.

Seasonal concentration decomposition across segments of tourism demand

A la hora de aplicar medidas desestacionalizadoras, a los gestores de destinos turísticos les resulta complicado identificar qué tipo de turistas contribuyen a la desestacionalización, ya que estos turistas potenciales pueden estar pasando desapercibido por no disponer de una metodología que los identifique. Teniendo en cuenta esta deficiencia, en esta tesis se ha querido conseguir un enfoque de medición que proporcione información acerca del tipo de turista objetivo para reducir la concentración estacional en los destinos analizados. Para ello, la metodología que se emplea en esta tesis, que incluye la descomposición aditiva del índice de Gini, proporciona información acerca de la contribución de cada segmento de demanda a la concentración estacional total de un destino. Mediante el empleo de dicha descomposición, el componente estacional puede ser expresado a través de unos efectos relativos marginales que permiten identificar a aquellos turistas que se manifiesten más favorables para reducir la estacionalidad. De manera complementaria, se han estimado los factores estacionales mediante el método multiplicativo que sirven para mejorar el análisis ya que proporcionan los patrones estacionales de los segmentos de demanda analizados. Además, según el destino analizado, se han utilizado clasificaciones complejas atendiendo al origen del turista, su principal motivación de viaje y la región visitada dentro de cada uno de los destinos analizados, las cuales, han permitido discernir con mayor precisión dentro de clasificaciones poco homogéneas. La metodología empleada en esta tesis se propone como una medida de control y seguimiento con la que, analizando la evolución de los efectos relativos marginales a lo largo del período de los que se dispongan datos suficientemente desagregados y, sobre todo, del último año, podrían ajustarse las políticas turísticas orientadas a reducir los efectos de la estacionalidad. Con la aplicación de la metodología propuesta en los destinos turísticos analizados, en los que se ha empleado un nivel de desagregación suficiente, se pretende aportar información adicional a los gestores del turismo en cuanto a qué turistas deben dirigir sus políticas de captación, siempre y cuando su objetivo sea reducir la concentración estacional en estos destinos. Del mismo modo, se pretende conseguir una mejora de la efectividad de las políticas contra la estacionalidad, dirigiéndolas hacia aquellos segmentos de demanda identificados como menos propensos a la estacionalidad. Esta tesis ha sido elaborada por compendio de publicaciones y se ha estructurado en siete capítulos. El primer capítulo es una introducción donde se presentan las implicaciones de esta tesis en cuanto a los aspectos relacionados con la estacionalidad, así como la metodología empleada para la medición de la misma en los destinos analizados. En los siguientes capítulos se analiza la concentración estacional de tres destinos y sus regiones: el litoral de Andalucía (segundo y tercer capítulo), Argentina (cuarto y quinto capítulo), y el Reino Unido (sexto capítulo). Los resultados se muestran con la copia incluida de las cinco publicaciones que conforman esta tesis. Por último, se proporciona las conclusiones en el séptimo capítulo, donde se muestra un análisis general y un resumen de las conclusiones de todas las contribuciones.

Motivic Decomposition of Projective Pseudo-Homogeneous Varieties

Let G be a semi-simple algebraic group over a field k. Projective G-homogeneous varieties are projective varieties over which G acts transitively. The stabilizer or the isotropy subgroup at a point on such a variety is a parabolic subgroup which is always smooth when the characteristic of k is zero. However, when k has positive characteristic, we encounter projective varieties with transitive G-action where the isotropy subgroup need not be smooth. We call these varieties projective pseudo-homogeneous varieties. To every such variety, we can associate a corresponding projective homogeneous variety. In this thesis, we extensively study the Chow motives (with coefficients from a finite connected ring) of projective pseudo-homogeneous varieties for G inner type over k and compare them to the Chow motives of the corresponding projective homogeneous varieties. This is done by proving a generic criterion for the motive of a variety to be isomorphic to the motive of a projective homogeneous variety which works for any characteristic of k. As a corollary, we give some applications and examples of Chow motives that exhibit an interesting phenomenon. We also show that the motives of projective pseudo-homogeneous varieties satisfy properties such as Rost Nilpotence and Krull-Schmidt.

Thermal Decomposition Kinetics of Humic Substances Extracted from Mid-Rio Negro (Amazon Basin) Soil Samples

In this work humic substances (HS) extracted from non-flooded (Araca) and flooded (Iara) soils were characterized through the calculation of stability and activation energies associated with the dehydration and thermal decomposition of HS using TGA and DTA, electronic paramagnetic resonance and C/H, C/N and C/O atomic ratios. For HS extracted from flooded soils, there was evidence for the influence of humidity on the organic matter humification process. Observations of thermal behaviour, with elemental analysis, indicated the presence of fossilized organic carbon within clay particles, which only decomposed above 800 C. This characteristic could explain the different thermal stability and pyrolysis activation energies for Iara HS compared to Araca HS.