Ab initio study of NOx compounds adsorption on SnO2 surface

An ab initio study of the adsorption processes on NOx compounds on (1 1 0) SnO2 surface is presented with the aim of providing theoretical hints for the development of improved NOx gas sensors. From first principles calculations (DFT¿GGA approximation), the most relevant NO and NO2 adsorption processes are analyzed by means of the estimation of their adsorption energies. The resulting values and the developed model are also corroborated with experimental desorption temperatures for NO and NO2, allowing us to explain the temperature-programmed desorption experiments. The interference of the SO2 poisoning agent on the studied processes is discussed and the adsorption site blocking consequences on sensing response are analyzed.

The structural approach of a natrex model on equilibrium exchange rates

Following a general macroeconomic approach, this paper sets a closed micro-founded structural model to determine the long run real exchange rate of a developed economy. In particular, the analysis follows the structure of a Natrex model. The main contribution of this research paper is the development of a solid theoretical framework that analyse in depth the basis of the real exchange rate and the details of the equilibrium dynamics after any shock influencing the steady state. In our case, the intertemporal factors derived from the stock-flow relationship will be particularly determinant. The main results of the paper can be summarised as follows. In first place, a complete well-integrated structural model for long-run real exchange rate determination is developed from first principles. Moreover, within the concrete dynamics of the model, it is found that some convergence restrictions will be necessary. On one hand, for the medium run convergence the sensitivity of the trade balance to changes in real exchange rate should be higher that the correspondent one to the investment decisions. On the other hand, and regarding long-run convergence, it is also necessary both that there exists a negative relationship between investment and capital stock accumulation and that the global saving of the economy depends positively on net foreign debt accumulation. In addition, there are also interesting conclusions about the effects that certain shocks over the exogenous variables of the model have on real exchange rates.

Testing the entrepreneurial intention model on a two-country sample

This paper tests the Entrepreneurial Intention Model -which is adapted from the Theory of Planned Behavior- on a sample of 533 individuals from two quite different countries: one of them European (Spain) and the other South Asian (Taiwan). A newly developed Entrepreneurial Intention Questionnaire (EIQ) has being used which tries to overcome some of the limitations of previous instruments. Structural equations techniques were used in the empirical analysis. Results are generally satisfactory, indicating that the model is probably adequate for studying entrepreneurship. Support for the model was found not only in the combined sample, but also in each of the national ones. However, some differences arose that may indicate demographic variables contribute differently to the formation of perceptions in each culture.

An approximate mathematical model for solidification of a flowing liquid in a microchannel

A mathematical model is developed to analyse the combined flow and solidification of a liquid in a small pipe or two-dimensional channel. In either case the problem reduces to solving a single equation for the position of the solidification front. Results show that for a large range of flow rates the closure time is approximately constant, and the value depends primarily on the wall temperature and channel width. However, the ice shape at closure will be very different for low and high fluxes. As the flow rate increases the closure time starts to depend on the flow rate until the closure time increases dramatically, subsequently the pipe will never close.

A New open economy macroeconomic model with endogenous portfolio diversification and firms entry

This paper provides a new benchmark for the analysis of the international diversi…cation puzzle in a tractable new open economy macroeconomic model. Building on Cole and Obstfeld (1991) and Heathcote and Perri (2009), this model speci…es an equilibrium model of perfect risk sharing in incomplete markets, with endogenous portfolios and number of varieties. Equity home bias may not be a puzzle but a perfectly optimal allocation for hedging risk. In contrast to previous work, the model shows that: (i) optimal international portfolio diversi…cation is driven by home bias in capital goods, independently of home bias in consumption, and by the share of income accruing to labour. The model explains reasonably well the recent patterns of portfolio allocations in developed economies; and (ii) optimal portfolio shares are independent of market dynamics.

Les ciutats turístiques, les noves ciutats. Anàlisi de l'evolució del model turístic en destinacions de litoral madures a partir de l'anàlisi de paràmetres urbanístics

La beca concedida ha anat destinada a desenvolupar la tesi doctoral que duu per nom "Les ciutats turístiques, les noves ciutats. Anàlisi de l'evolució del model turístic en destinacions de litoral madures a partir de l'anàlisi de paràmetres urbanístics". L’àrea d’estudi comprèn els municipis de Cambrils, Salou i La Pineda (Vila-seca) que conformen la Costa Daurada central, destinació madura de litoral mediterrani, que basa el seu desenvolupament d’acord el model turístic de sol i platja. Arribats en aquest punt de finalització de la beca, cal destacar que s’ha complert amb l'objectiu d'analitzar el procés de transformació de les ciutats turístiques, tot establint com el turisme litoral mediterrani s'ha convertit en un factor de creació de ciutat. Així mateix també s'han complert els objectius específics tals com: analitzar l'evolució de les destinacions turístiques consolidades del litoral mediterrani, recopilar informació per a la creació d'índexs i eines que serveixin per l'anàlisi del procés de tranformació de les ciutats turístiques a ciutats tradicionals a partir del tractament dels plans parcials, recopilar i analitzar les polítiques de planificació que han condicionat l'area d'estudi, modelitzar el procés de construcció de l'espai turístic a partir de l'establiment d'unes unitats bàsiques en la descripció i anàlisi territorial i paisatgístic, i crear un SIG per culminar el procés d'anàlisi tot creant una base de dades i la representació dels resultats en cartogradia temàtica. Pel que fa al disseny i l’execució de la metodologia, es poden considerar dos vessants, una vessant més qualitativa i una altra més quantitativa per al tractament de la informació recopilada. Igualment la generació de cartografia específica completa el procés amb la producció de cartografia específica, tal i com es desenvolupa en la present memòria. La tesi parteix del guió que contempla: un prier capítol d'introducció, un segon dedicat al marc teòric, un tercer apartat on s'exposaran les hipòtesis de les quals es parteix, i un quart dedicat a la metodologia. Pren especial importància l'apartat dedicat a l’ànalisi, així com el dedicat a la discussió dels resultats obtinguts, que es desenvoluparà en el sisè apartat. Per últim resta destacar el setè apartat dedicat a les conclusions a les que s'ha arribat.

Key competences in the new ventures: a model for evaluating

This research studies from an internal view based on the Competency-Based Perspective (CBP), key organizational competencies developed for small new business. CBP is chosen in an attempt to explain the differences characterizing the closed companies from the consolidated ones. The main contribution of this paper is the definition of a set of key organizational competencies for new ventures from services and low technology based sectors. Using the classification proposed by [1] and a review of the entrepreneurship literature, the main competencies were defined and classified as: managerial, input-based, transformation-based, and output-based competencies. The proposed model for evaluating new ventures organizational competence is tested by means of Structural Equation

Estudi de l'evolució i distribució de Rhynchophorus ferrugineus. Bloc 1: Anàlisi de l'evolució a Catalunya i determinació d'un model lineal generalitzat mixte

El morrut de les palmeres, R. ferrugineus, està actualment considerat com la plaga més perjudicial de les palmeres ja que la seva infestació produeix, de forma comuna, la seva mort. Des de la seva instal·lació en els països de la conca mediterrània, en els últims anys, són milers les palmeres que han mort degut a la plaga. La ràpida dispersió que s’ha produït de l’insecte així com la difícil detecció en els períodes primerencs de les infestacions fa que el R. ferrugineus posi en perill ecosistemes naturals de palmeres així com hàbitats rurals i urbans amb un ús ornamental d’aquestes plantes. És necessari desenvolupar estudis que permetin un millor coneixement del comportament d’aquest insecte així com, aquelles característiques intrínseques de la palmeres i variables externes que afavoreixen la instauració del coleòpter i, per tant, noves metodologies pel seu control.

Estudi de l'evolució i distribució de Rhynchophorus ferrugineus. Bloc 2: Aplicació d'un model lineal generalitzat mixte a les localitats de Matadepera i Tossa de Mar

El morrut de les palmeres, R. ferrugineus, està actualment considerat com la plaga més perjudicial de les palmeres ja que la seva infestació produeix, de forma comuna, la seva mort. Des de la seva instal·lació en els països de la conca mediterrània, en els últims anys, són milers les palmeres que han mort degut a la plaga. La ràpida dispersió que s’ha produït de l’insecte així com la difícil detecció en els períodes primerencs de les infestacions fa que el R. ferrugineus posi en perill ecosistemes naturals de palmeres així com hàbitats rurals i urbans amb un ús ornamental d’aquestes plantes. És necessari desenvolupar estudis que permetin un millor coneixement del comportament d’aquest insecte així com, aquelles característiques intrínseques de la palmeres i variables externes que afavoreixen la instauració del coleòpter i, per tant, noves metodologies pel seu control.

Cell size distribution in a random tessellation of space governed by the Kolmogorov-Johnson-Mehl-Avrami model: Grain size distribution in crystallization

The space subdivision in cells resulting from a process of random nucleation and growth is a subject of interest in many scientific fields. In this paper, we deduce the expected value and variance of these distributions while assuming that the space subdivision process is in accordance with the premises of the Kolmogorov-Johnson-Mehl-Avrami model. We have not imposed restrictions on the time dependency of nucleation and growth rates. We have also developed an approximate analytical cell size probability density function. Finally, we have applied our approach to the distributions resulting from solid phase crystallization under isochronal heating conditions

Estimation of electronic coupling in π -stacked donor-bridge-acceptor systems: correction of the two-state model

Comparison of donor-acceptor electronic couplings calculated within two-state and three-state models suggests that the two-state treatment can provide unreliable estimates of Vda because of neglecting the multistate effects. We show that in most cases accurate values of the electronic coupling in a π stack, where donor and acceptor are separated by a bridging unit, can be obtained as Ṽ da = (E2 - E1) μ12 Rda + (2 E3 - E1 - E2) 2 μ13 μ23 Rda2, where E1, E2, and E3 are adiabatic energies of the ground, charge-transfer, and bridge states, respectively, μij is the transition dipole moments between the states i and j, and Rda is the distance between the planes of donor and acceptor. In this expression based on the generalized Mulliken-Hush approach, the first term corresponds to the coupling derived within a two-state model, whereas the second term is the superexchange correction accounting for the bridge effect. The formula is extended to bridges consisting of several subunits. The influence of the donor-acceptor energy mismatch on the excess charge distribution, adiabatic dipole and transition moments, and electronic couplings is examined. A diagnostic is developed to determine whether the two-state approach can be applied. Based on numerical results, we showed that the superexchange correction considerably improves estimates of the donor-acceptor coupling derived within a two-state approach. In most cases when the two-state scheme fails, the formula gives reliable results which are in good agreement (within 5%) with the data of the three-state generalized Mulliken-Hush model

Policy Making in Divided Government. A Pivotal Actors Model with Party Discipline.

This article presents a formal model of policy decision-making in an institutional framework of separation of powers in which the main actors are pivotal political parties with voting discipline. The basic model previously developed from pivotal politics theory for the analysis of the United States lawmaking is here modified to account for policy outcomes and institutional performances in other presidential regimes, especially in Latin America. Legislators' party indiscipline at voting and multi-partism appear as favorable conditions to reduce the size of the equilibrium set containing collectively inefficient outcomes, while a two-party system with strong party discipline is most prone to produce 'gridlock', that is, stability of socially inefficient policies. The article provides a framework for analysis which can induce significant revisions of empirical data, especially regarding the effects of situations of (newly defined) unified and divided government, different decision rules, the number of parties and their discipline. These implications should be testable and may inspire future analytical and empirical work.

Policy making in divided government. A pivotal actors model with party discipline

This article presents a formal model of policy decision-making in an institutional framework of separation of powers in which the main actors are pivotal political parties with voting discipline. The basic model previously developed from pivotal politics theory for the analysis of the United States lawmaking is here modified to account for policy outcomes and institutional performances in other presidential regimes, especially in Latin America. Legislators' party indiscipline at voting and multi-partism appear as favorable conditions to reduce the size of the equilibrium set containing collectively inefficient outcomes, while a two-party system with strong party discipline is most prone to produce 'gridlock', that is, stability of socially inefficient policies. The article provides a framework for analysis which can induce significant revisions of empirical data, especially regarding the effects of situations of (newly defined) unified and divided government, different decision rules, the number of parties and their discipline. These implications should be testable and may inspire future analytical and empirical work.

States of maximum entropy production in a onedimensional vertical model with convective adjustment

We investigate the hypothesis that the atmosphere is constrained to maximize its entropy production by using a one-dimensional (1-D) vertical model. We prescribe the lapse rate in the convective layer as that of the standard troposphere. The assumption that convection sustains a critical lapse rate was absent in previous studies, which focused on the vertical distribution of climatic variables, since such a convective adjustment reduces the degrees of freedom of the system and may prevent the application of the maximum entropy production (MEP) principle. This is not the case in the radiative–convective model (RCM) developed here, since we accept a discontinuity of temperatures at the surface similar to that adopted in many RCMs. For current conditions, the MEP state gives a difference between the ground temperature and the air temperature at the surface ≈10 K. In comparison, conventional RCMs obtain a discontinuity ≈2 K only. However, the surface boundary layer velocity in the MEP state appears reasonable (≈3 m s-¹). Moreover, although the convective flux at the surface in MEP states is almost uniform in optically thick atmospheres, it reaches a maximum value for an optical thickness similar to current conditions. This additional result may support the maximum convection hypothesis suggested by Paltridge (1978)

A territorial model of commuting in Catalonia, 1986-1996

Commuting consists in the fact that an important fraction of workers in developed countries do not reside close to their workplaces but at long distances from them, so they have to travel to their jobs and then back home daily. Although most workers hold a job in the same municipality where they live or in a neighbouring one, an important fraction of workers face long daily trips to get to their workplace and then back home.Even if we divide Catalonia (Spain) in small aggregations of municipalities, trying to make them as close to local labour markets as possible, we will find out that some of them have a positive commuting balance, attracting many workers from other areas and providing local jobs for almost all their resident workers. On the other side, other zones seem to be mostly residential, so an important fraction of their resident workers hold jobs in different local labour markets. Which variables influence an area¿s role as an attraction pole or a residential zone? In previous papers (Artís et al, 1998a, 2000; Romaní, 1999) we have brought out the main individual variables that influence commuting by analysing a sample of Catalan workers and their commuting decisions. In this paper we perform an analysis of the territorial variables that influence commuting, using data for aggregate commuting flows in Catalonia from the 1991 and 1996 Spanish Population Censuses.These variables influence commuting in two different ways: a zone with a dense, welldeveloped economical structure will have a high density of jobs. Work demand cannot be fulfilled with resident workers, so it spills over local boundaries. On the other side, this economical activity has a series of side-effects like pollution, congestion or high land prices which make these areas less desirable to live in. Workers who can afford it may prefer to live in less populated, less congested zones, where they can find cheaper land, larger homes and a better quality of life. The penalty of this decision is an increased commuting time. Our aim in this paper is to highlight the influence of local economical structure and amenities endowment in the workplace-residence location decision. A place-to-place logit commuting models is estimated for 1991 and 1996 in order to find the economical and amenities variables with higher influence in commuting decisions. From these models, we can outline a first approximation to the evolution of these variables in the 1986-1996 period. Data have been obtained from aggregate flow travel-matrix from the 1986, 1991 and 1996 Spanish Population Censuses