Liquid mixtures involving fluorinated alcohols: The equation of state (p, r, T, x) of (Ethanol + Trifluoroethanol) Experimental and Simulation

Liquid mixtures involving fluorinated alcohols: The equation of state (p, r, T, x) of (Ethanol + Trifluoroethanol) Experimental and Simulation Pedro Duartea, Djêide Rodriguesa, Marcelo Silvaa, Pedro Morgadoa, Luís Martinsa,b and Eduardo J. M. Filipea* aCentro de Química Estrutural, Instituto Superior Técnico, 1049-001 Lisboa, Portugal bCentro de Química de Évora, Universidade de Évora, 7000-671 Évora, Portugal Fluorinated alcohols are substances with unique properties and high technological value in the pharmaceutical and chemical industries. Trifluoroethanol (TFE), in particular, displays a number of unusual properties as a solvent. For example, it dissolves nylon at room temperature and is effectively used as solvent in bioengineering. The presence of the three fluorines atoms gives the alcohol a high ionization constant, strong hydrogen bonding capability and stability at high temperatures. In the pharmaceutical industry, TFE finds use as the major raw material for the production of inhalation anesthetics. Mixtures of TFE and water (known as Fluorinols®) are used as working fluids for Rankine cycle heat engines for terrestrial and space applications, as a result of a unique combination of physical and thermodynamic properties such as high thermal efficiency and excellent turbine expansion characteristics. Environmentally, TFE is a CFC substitute with an acceptable short lifetime and with small ozone depletion potential. Additionally, TFE is known to induce conformational changes in proteins and it is used as a co-solvent to analyze structural features of partially folded states. The (ethanol + TFE) system displays an interesting and peculiar behaviour, combining a negative azeotrope with high positive excess volumes. In this work, liquid mixtures of (ethanol + TFE) were investigated. The densities of the mixtures were measured as a function of composition between 278K and 338K and at pressures up to 700 bar. The corresponding excess volumes as a function of temperature and pressure, the isothermal compressibilities and thermal expansivities were calculated from the experimental results. The mixtures are highly non-ideal with excess volumes ranging from 0.8 - 1.0 cm3mol-1. Finally, molecular dynamic simulations were performed to model and interpret the experimental results. The Trappe force field was used to simulate the (TFE + ethanol) mixtures and calculate the corresponding excess volumes. The simulation results are able to reproduce the correct sign and order of magnitude of the experimental VE without fitting to the experimental data. Furthermore, the simulations suggest the presence of a particular type of hydrogen bridge between ethanol and TFE, that can help to rationalize the experimental results

High-field Electron Spin Resonance of Cu_{1-x}Zn_{x}GeO_{3}

High-Field Electron Spin Resonance measurements were made on powder samples of Cu_{1-x}Zn_{x}GeO_{3} (x=0.00, 0.01, 0.02, 0.03 and 0.05) at different frequencies (95, 110, 190, 220, 330 and 440 GHz) at low temperatures. The spectra of the doped samples show resonances whose positions are dependent on Zn concentration, frequency and temperature. The analysis of intensity variation of these lines with temperature allows us to identify them as originating in transitions within states situated inside the Spin Peierls gap. A qualitative explanation of the details of the spectra is possible if we assume that these states in the gap are associated with "loose" spins created near the Zn impurities, as recently theoreticaly predicted. A new phenomenon of quenching of the ESR signal across the Dimerized to Incommensurate phase-boundary is observed.Comment: 4 pages, 5 ps figures in the text, submitted to Phys. Rev. Let

Modelling of phase-shift modulated bidirectional CLLC resonant converter

The study proposes the application of two modelling techniques for analysis of bidirectional CLLC resonant converters. The state-variable and cyclic-averaging techniques are applied for converters operating under two types of phase-shift modulation: single-phase-shift and pulse-phase modulation. The converter is analysed considering forward and reverse power flow directions and a state-variable equation description is obtained for both modes. The models are first validated through simulation, comparing the state-variable and cyclic-averaging results to a simulation program with integrated circuit emphasis (SPICE)-based simulation. Additionally, a low power prototype is built, experimental results are presented and the influence of parasitic elements and system delays is discussed. Simulation and experimental results show the models can accurately represent the behaviour of CLLC converters for both types of phase-shift modulation. In addition, using the cyclic-averaging technique results in a considerably faster execution compared to state-variable and SPICE-based models

HST's view of the youngest massive stars in the Magellanic Clouds

Accurate physical parameters of newborn massive stars are essential ingredients to shed light on their formation, which is still an unsolved problem. The rare class of compact H II regions in the Magellanic Clouds (MCs), termed ``high-excitation blobs'' (HEBs), presents a unique opportunity to acquire this information. These objects (~ 4" to 10", ~ 1 to 3 pc, in diameter) harbor the youngest massive stars of the OB association/molecular cloud complexes in the MCs accessible through high-resolution near-IR and optical techniques. We present a brief overview of the results obtained with HST mainly on two HEBs, one in the LMC (N159-5) and the other in the SMC (N81).Comment: 5 pages, to appear in the Proceedings of the 41st ESLAB Symposium "The Impact of HST on European Astronomy", 29 May to 1 June 2007, ESTEC, Noordwijk, Netherlands; eds. Guido De Marchi and Duccio Macchett

Phase Transition in a Stochastic Forest Fire Model and Effects of the Definition of Neighbourhood

We present results on a stochastic forest fire model, where the influence of the neighbour trees is treated in a more realistic way than usual and the definition of neighbourhood can be tuned by an additional parameter. This model exhibits a surprisingly sharp phase transition which can be shifted by redefinition of neighbourhood. The results can also be interpreted in terms of disease-spreading and are quite unsettling from the epidemologist's point of view, since variation of one crucial parameter only by a few percent can result in the change from endemic to epidemic behaviour.Comment: 23 pages, 13 figure

Tourist spaces and tourism policy in Spain and Portugal

Advances in Cultura, Tourism and Hospitality Research;10, 235-249This study analyses the relationship between the development of the tourism policy of Spain and Portugal and their effects on regional imbalances. Despite the proximity of the two countries and their specialisation in tourism, there are few comparative studies on tourism of the two Iberian countries. The study focuses on the two major phases of tourism policy: the period of mass tourism and post-Fordist stage. In the conclusions we refer the debate on the existence of a model of development based on tourism to the Latin countries of Southern Europe and we note the export process of the Spanish low-cost tourism model to other countries.Financiado por el Gobierno de España, Programa Fundamental de Investigación, Proyecto de I+D (CSO2012-30840) "Geografías de la crisis: análisis de los territorios urbanos y turísticos de las Islas Baleares, Costa del Sol y principales destinos del Caribe y América Central"

A probabilistic approach to emission-line galaxy classification

We invoke a Gaussian mixture model (GMM) to jointly analyse two traditional emission-line classification schemes of galaxy ionization sources: the Baldwin-Phillips-Terlevich (BPT) and $\rm W_{H\alpha}$ vs. [NII]/H$\alpha$ (WHAN) diagrams, using spectroscopic data from the Sloan Digital Sky Survey Data Release 7 and SEAGal/STARLIGHT datasets. We apply a GMM to empirically define classes of galaxies in a three-dimensional space spanned by the $\log$ [OIII]/H$\beta$, $\log$ [NII]/H$\alpha$, and $\log$ EW(H${\alpha}$), optical parameters. The best-fit GMM based on several statistical criteria suggests a solution around four Gaussian components (GCs), which are capable to explain up to 97 per cent of the data variance. Using elements of information theory, we compare each GC to their respective astronomical counterpart. GC1 and GC4 are associated with star-forming galaxies, suggesting the need to define a new starburst subgroup. GC2 is associated with BPT's Active Galaxy Nuclei (AGN) class and WHAN's weak AGN class. GC3 is associated with BPT's composite class and WHAN's strong AGN class. Conversely, there is no statistical evidence -- based on four GCs -- for the existence of a Seyfert/LINER dichotomy in our sample. Notwithstanding, the inclusion of an additional GC5 unravels it. The GC5 appears associated to the LINER and Passive galaxies on the BPT and WHAN diagrams respectively. Subtleties aside, we demonstrate the potential of our methodology to recover/unravel different objects inside the wilderness of astronomical datasets, without lacking the ability to convey physically interpretable results. The probabilistic classifications from the GMM analysis are publicly available within the COINtoolbox (https://cointoolbox.github.io/GMM\_Catalogue/).Comment: Accepted for publication in MNRA