Adsorption of argon and nitrogen in cylindrical pores of MCM-41 materials: application of density functional theory

Adsorption of argon and nitrogen at their respective boiling points in cylindrical pores of MCM-41 type silica-like adsorbents is studied by means of a non-local density functional theory (NLDFT), which is modified to deal with amorphous solids. By matching the theoretical results of the pore filling pressure versus pore diameter against the experimental data, we arrive at a conclusion that the adsorption branch (rather than desorption) corresponds to the true thermodynamic equilibrium. If this is accepted, we derive the optimal values for the solid–fluid molecular parameters for the system amorphous silica–Ar and amorphous silica–N2, and at the same time we could derive reliably the specific surface area of non-porous and mesoporous silica-like adsorbents, without a recourse to the BET method. This method is then logically extended to describe the local adsorption isotherms of argon and nitrogen in silica-like pores, which are then used as the bases (kernel) to determine the pore size distribution. We test this with a number of adsorption isotherms on the MCM-41 samples, and the results are quite realistic and in excellent agreement with the XRD results, justifying the approach adopted in this paper.

The effect of life expectancy on fertility, saving, schooling and economic growth: theory and evidence

We construct a simple growth model where agents with uncertain survival choose schooling time, life-cycle consumption and the number of children. We show that rising longevity reduces fertility but raises saving, schooling time and the growth rate at a diminishing rate. Cross-section analyses using data from 76 countries support these propositions: life expectancy has a significant positive effect on the saving rate, secondary school enrollment and growth but a significant negative effect on fertility. Through sensitivity analyses, the effect on the saving rate is inconclusive, while the effects on the other variables are robust and consistent. These estimated effects are decreasing in life expectancy. Copyright The editors of the Scandinavian Journal of Economics 2005.

Equilibrium adsorption in cylindrical mesopores: A modified Broekhoff and de boer theory versus density functional theory

This paper presents a thermodynamic analysis of capillary condensation phenomena in cylindrical pores. Here, we modified the Broekhoff and de Boer (BdB) model for cylindrical pores accounting for the effect of the pore radius on the potential exerted by the pore walls. The new approach incorporates the recently published standard nitrogen and argon adsorption isotherm on nonporous silica LiChrospher Si-1000. The developed model is tested against the nonlocal density functional theory (NLDFT), and the criterion for this comparison is the condensation/evaporation pressure versus the pore diameter. The quantitative agreement between the NLDFT and the refined version of the BdB theory is ascertained for pores larger than 2 nm. The modified BdB theory was applied to the experimental adsorption branch of adsorption isotherms of a number of MCM-41 samples to determine their pore size distributions (PSDs). It was found that the PSDs determined with the new BdB approach coincide with those determined with the NLDFT (also using the experimental adsorption branch). As opposed to the NLDFT, the modified BdB theory is very simple in its utilization and therefore can be used as a convenient tool to obtain PSDs of all mesoporous solids from the analysis of the adsorption branch of adsorption isotherms of any subcritical fluids.

Using extreme value theory to measure value-at-risk for daily electricity spot prices

The recent deregulation in electricity markets worldwide has heightened the importance of risk management in energy markets. Assessing Value-at-Risk (VaR) in electricity markets is arguably more difficult than in traditional financial markets because the distinctive features of the former result in a highly unusual distribution of returns-electricity returns are highly volatile, display seasonalities in both their mean and volatility, exhibit leverage effects and clustering in volatility, and feature extreme levels of skewness and kurtosis. With electricity applications in mind, this paper proposes a model that accommodates autoregression and weekly seasonals in both the conditional mean and conditional volatility of returns, as well as leverage effects via an EGARCH specification. In addition, extreme value theory (EVT) is adopted to explicitly model the tails of the return distribution. Compared to a number of other parametric models and simple historical simulation based approaches, the proposed EVT-based model performs well in forecasting out-of-sample VaR. In addition, statistical tests show that the proposed model provides appropriate interval coverage in both unconditional and, more importantly, conditional contexts. Overall, the results are encouraging in suggesting that the proposed EVT-based model is a useful technique in forecasting VaR in electricity markets. (c) 2005 International Institute of Forecasters. Published by Elsevier B.V. All rights reserved.

The association between number of homework assignments completed during a lifestyle physical activity intervention and scores on transtheoretical measures

An assumption of theory-based physical activity interventions is that active participation positively affects the theoretical constructs upon which the intervention is based. This assumption is rarely tested. This study assessed whether participation, defined as completion of homework, in a lifestyle physical activity intervention was associated with changes over 6 months in constructs the homework addressed: the behavioral and cognitive processes of change, self-efficacy, and decisional balance (the pros and cons). Participants were 244 sedentary adults aged 25 to 75 years. They completed an average of 12 of 20 homework assignments. Those completing at least two-thirds of the homework (n = 113) had greater changes in the theoretical constructs from pretest to posttest than those completing less (n = 90). Post-hoc analyses suggest that completing theory-based homework may impact the processes of change and self-efficacy in lifestyle physical activity interventions and, therefore, are warranted in future interventions.

Signal or Noise? Information Theory and the Novel

In the context of a hostile funding environment, universities are increasingly asked to justify their output in narrowly defined economic terms, and this can be difficult in Humanities or Arts faculties where productivity is rarely reducible to a simple financial indicator. This can lead to a number of immediate consequences that I have no need to rehearse here, but can also result in some interesting tensions within the academic community itself. First is that which has become known as the ‘Science Wars’: the increasingly acrimonious exchanges between scientists and scientific academics and cultural critics or theorists about who has the right to describe the world. Much has already been said—and much remains to be said—about this issue, but it is not my intention to discuss it here. Rather, I will look at a second area of contestation: the incorporation of scientific theory into literary or cultural criticism. Much of this work comes from a genuine commitment to interdisciplinarity, and an appreciation of insights that a fresh perspective can bring to a familiar object. However, some can be seen as cynical attempts to lend literary studies the sort of empirical legitimacy of the sciences. In particular, I want to look at a number of critics who have applied information theory to the literary work. In this paper, I will examine several instances of this sort of criticism, and then, through an analysis of a novel by American author Richard Powers, Three Farmers on Their Way to a Dance, show how this sort of criticism merely reduces the meaningful analysis of a complex literary text.

Chaos Theory as an Approach to Understanding MICE in Time of Crisis

MICE (meetings, incentives, conventions, and exhibitions), has generated high foreign exchange revenue for the economy worldwide. In Thailand, MICE tourists are recognized as ‘quality’ visitors, mainly because of their high-spending potential. Having said that, Thailand’s MICE sector has been influenced by a number of crises following September 11, 2001. Consequently, professionals in the MICE sector must be prepared to deal with such complex phenomena of crisis that might happen in the future. While a number of researches have examined the complexity of crises in the tourism context, there has been little focus on such issues in the MICE sector. As chaos theory provides a particularly good model for crisis situations, it is the aim of this paper to propose a chaos theory-based approach to the understanding of complex and chaotic system of the MICE sector in time of crisis.

Extending the theory of Owicki and Gries with asynchronous message passing

We describe an extension of the theory of Owicki and Gries (1976) to a programming language that supports asynchronous message passing based on unconditional send actions and conditional receive actions. The focus is on exploring the fitness of the extension for distributed program derivation. A number of experiments are reported, based on a running example problem, and with the aim of exploring design heuristics and of streamlining derivations and progress arguments.

A CONCEPÇÃO SOBRE SER HUMANO PARA O DISCENTE DO CURSO DE ADMINISTRAÇÃO: APROXIMAÇÕES COM A FENOMENOLOGIA DE EDITH STEIN

As grandes Revoluções que a história oficial relata apresentam um aspecto comum: a evolução do processo de comunicação aliada à evolução tecnológica. A partir do Século XX, as informações passaram a circular em número e em velocidade escalares. A interdependência e a interligação dos países, nações e pessoas estreitaram-se, pois a mobilidade no espaço virtual, progressivamente, relativiza as distâncias e os espaços geofísicos. Todavia, a avalanche de conhecimento, de aprimoramento científico e de desenvolvimento econômico parece não ser suficiente para responder, concretamente, as questões que ainda assolam a humanidade. Neste cenário, o presente trabalho tem por objetivo aproximar a concepção de ser humano para discentes do curso de administração com as categorias existenciais presentes no pensamento de Edith Stein, por meio dos objetivos específicos: Compreender o que é ser humano para o discente do curso de administração em uma IES Confessional do ABC Paulista; descrever o que é ser humano a partir do pensamento fenomenológico de Edith Stein; buscar convergências, divergências e/ou idiossincrasias entre os relatos de discentes do curso de administração em uma IES Confessional do ABC Paulista e o pensamento de Edith Stein. Para tal, foram colhidos cinco relatos de discentes de administração, por meio dos quais foram feitas aproximações, convergências-divergências com as categorias analíticas da concepção de ser humano no pensamento de Edith Stein para cada sujeito, tendo como questão norteadora: o que é ser humano para você ? Após a coleta, as entrevistas foram analisadas tendo como referência os trabalhos de Edith Stein (fenomenologia eidética), Castro (2003), Flauzino (2012) e Estanislau (2010), cumprindo as seguintes etapas: literalização dos relatos ingênuos, levantamento das unidades de sentido, levantamento e análise fenomenológica das categorias, as quais possibilitaram o diálogo intersubjetivo e objetivo com os pressupostos teóricos sobre o tema em pauta. Categorias estas denominadas de: 1. Corpo Físico e Corpo Vivente; 2. Espírito; Sujeito Psicofísico; 3. Comunidade. A partir da análise das categorias, observou-se que a concepção de ser humano conflui para a unidade do ser, ser este que é composto por corpo vivente, psique e espírito, de forma a possibilitar relações com o outro e com o ambiente. Não é possível ser humano sem um encontro com o outro, sem o respeito mútuo, sem a liberdade de ser o que se é. Emerge a dos relatos a dimensão comunitária, somente na qual se é possível realizar a humanidade, por meio de atos de liberdade, respeito e de compaixão. Desvelou-se também dentro destes relatos, que quando se é humano, a vida em seu todo é realizada de forma harmoniosa. Poder-se-á, então, por meio do revelar-se do fenômeno, obter uma nova forma de olhar, de pensar e questionar as práticas vivenciadas na Administração, contribuindo com a formação de uma massa crítica para as ciências sociais aplicadas da administração, ao refletir sobre o que há de mais estruturante e nuclear no discente de administração.

Advanced mean field methods:theory and practice

A major problem in modern probabilistic modeling is the huge computational complexity involved in typical calculations with multivariate probability distributions when the number of random variables is large. Because exact computations are infeasible in such cases and Monte Carlo sampling techniques may reach their limits, there is a need for methods that allow for efficient approximate computations. One of the simplest approximations is based on the mean field method, which has a long history in statistical physics. The method is widely used, particularly in the growing field of graphical models. Researchers from disciplines such as statistical physics, computer science, and mathematical statistics are studying ways to improve this and related methods and are exploring novel application areas. Leading approaches include the variational approach, which goes beyond factorizable distributions to achieve systematic improvements; the TAP (Thouless-Anderson-Palmer) approach, which incorporates correlations by including effective reaction terms in the mean field theory; and the more general methods of graphical models. Bringing together ideas and techniques from these diverse disciplines, this book covers the theoretical foundations of advanced mean field methods, explores the relation between the different approaches, examines the quality of the approximation obtained, and demonstrates their application to various areas of probabilistic modeling.

The adoption of value-based management in large UK companies:a case for diffusion theory

Purpose – In the 1990s, a growing number of companies adopted value-based management (VBM) techniques in the UK. The purpose of this paper is to explore the motivations for the adoption or non-adoption of VBM for managing a business. Design/methodology/approach – An interview-based study of 37 large UK companies. Insights from diffusion theory and institutional theory are utilised to theorise these motivations. Findings – It was found that the rate of adoption of VBM in the sample companies does follow the classical S-shape. It also suggests that the supply-side of the diffusion process, most notably the role played by consultants, was an influence on many companies. This was not, however, a sufficient condition for companies to adopt the technique. The research also finds evidence of relocation diffusion, as several adopters are influenced by new officers, for example chief executive officers and finance directors, importing VBM techniques that they have used in organizations within which they have previously worked. Research limitations/implications – It is quite a small scale study and further work would be needed to develop the findings. Practical implications – Understanding and theorising the adoption of new management techniques will help understand the management of a business. Originality/value – This research adds further evidence to the value of studying management accounting, and more specifically management accounting change, in practice. It shows the developments in the adoption of a new technique and hence how a technique becomes accepted in practice.

Range of validity of weakly non-linear theory in Rayleigh-Bénard problem

In this paper we examine the equilibrium states of finite amplitude flow in a horizontal fluid layer with differential heating between the two rigid boundaries. The solutions to the Navier-Stokes equations are obtained by means of a perturbation method for evaluating the Landau constants and through a Newton-Raphson iterative method that results from the Fourier expansion of the solutions that bifurcate above the linear stability threshold of infinitesimal disturbances. The results obtained from these two different methods of evaluating the convective flow are compared in the neighborhood of the critical Rayleigh number. We find that for small Prandtl numbers the discrepancy of the two methods is noticeable. © 2009 The Physical Society of Japan.

Risk homeostasis theory in simulated environments

This thesis has two aims. First, it sets out to develop an alternative methodology for the investigation of risk homeostasis theory (RHT). It is argued that the current methodologies of the pseudo-experimental design and post hoc analysis of road-traffic accident data both have their limitations, and that the newer 'game' type simulation exercises are also, but for different reasons, incapable of testing RHT predictions. The alternative methodology described here is based on the simulation of physical risk with intrinsic reward rather than a 'points pay-off'. The second aim of the thesis is to examine a number of predictions made by RHT through the use of this alternative methodology. Since the pseudo-experimental design and post hoc analysis of road-traffic data are both ill-suited to the investigation of that part of RHT which deals with the role of utility in determining risk-taking behaviour in response to a change in environmental risk, and since the concept of utility is critical to RHT, the methodology reported here is applied to the specific investigation of utility. Attention too is given to the question of which behavioural pathways carry the homeostasis effect, and whether those pathways are 'local' to the nature of the change in environmental risk. It is suggested that investigating RHT through this new methodology holds a number of advantages and should be developed further in an attempt to answer the RHT question. It is suggested too that the methodology allows RHT to be seen in a psychological context, rather than the statistical context that has so far characterised its investigation. The experimental findings reported here are in support of hypotheses derived from RHT and would therefore seem to argue for the importance of the individual and collective target level of risk, as opposed to the level of environmental risk, as the major determinant of accident loss.

Range of validity of weakly non-linear theory in Rayleigh-Bénard convection

In this paper we examine the equilibrium states of periodic finite amplitude flow in a horizontal channel with differential heating between the two rigid boundaries. The solutions to the Navier-Stokes equations are obtained by means of a perturbation method for evaluating the Landau coefficients and through a Newton-Raphson iterative method that results from the Fourier expansion of the solutions that bifurcate above the linear stability threshold of infini- tesimal disturbances. The results obtained from these two different methods of evaluating the convective flow are compared in the neighbourhood of the critical Rayleigh number. We find that for small Prandtl numbers the discrepancy of the two methods is noticeable.

Using the theory of planned behaviour to understand binge drinking:the importance of beliefs for developing interventions

Objectives. To elicit students' salient beliefs in relation to binge drinking, and to examine the extent to which individual salient beliefs predict theory of planned behaviour (TPB) constructs in relation to binge drink, and actual drinking behaviour assessed later that evening. Design. Longitudinal, over a single evening. Methods. 192 students were recruited as they entered a campus bar at the beginning of the evening. They completed questionnaires with open-ended questions eliciting beliefs concerning binge drinking, and ratings scales assessing standard TPB constructs in relation to binge drinking. At the end of the evening, 181 completed a second questionnaire and recorded the number of alcoholic drinks they had consumed. Results. Beliefs were reliably coded (all kappas =0.79). Students with higher intentions to binge drink were more likely to believe that their friends approved of binge drinking, and that (lack of) money would make it difficult. Students who reported drinking more alcohol at the end of the evening were more likely to believe that getting drunk is an advantage/what they would like about binge drinking tonight, that their sports teams would approve, and that celebrating, drinking patterns, and environment would make it easy to binge drink. Conclusions. The present study has identified the individually salient beliefs relating to drinking behaviour that the TPB states should be addressed by interventions to alter behaviour, and which that should be assessed as mediators in intervention research. As a whole, these findings highlight the importance of perceived peer norms in binge drinking in this population, and support the idea of interventions to challenge the perception of social pressure to binge drink. ©2011 The British Psychological Society.