A New Approach to the Prediction of Partition Coefficients in Water/Organic Interfaces

In the present work, a new approach for the determination of the partition coefficient in different interfaces based on the density function theory is proposed. Our results for log P(ow) considering a n-octanol/water interface for a large super cell for acetone -0.30 (-0.24) and methane 0.95 (0.78) are comparable with the experimental data given in parenthesis. We believe that these differences are mainly related to the absence of van der Walls interactions and the limited number of molecules considered in the super cell. The numerical deviations are smaller than that observed for interpolation based tools. As the proposed model is parameter free, it is not limited to the n-octanol/water interface.

Transport coefficients, Raman spectroscopy, and computer simulation of lithium salt solutions in an ionic liquid

Lithium salt solutions of Li(CF3SO2)(2)N, LiTFSI, in a room-temperature ionic liquid (RTIL), 1-butyl-2,3-dimethyl-imidazolium cation, BMMI, and the (CF3SO2)(2)N-, bis(trifluoromethanesulfonyl)imide anion, [BMMI][TFSI], were prepared in different concentrations. Thermal properties, density, viscosity, ionic conductivity, and self-diffusion coefficients were determined at different temperatures for pure [BMMI][TFSI] and the lithium solutions. Raman spectroscopy measurements and computer simulations were also carried out in order to understand the microscopic origin of the observed changes in transport coefficients. Slopes of Walden plots for conductivity and fluidity, and the ratio between the actual conductivity and the Nernst-Einstein estimate for conductivity, decrease with increasing LiTFSI content. All of these studies indicated the formation of aggregates of different chemical nature, as it is corroborated by the Raman spectra. In addition, molecular dynamics (MD) simulations showed that the coordination of Li+ by oxygen atoms of TFSI anions changes with Li+ concentration producing a remarkable change of the RTIL structure with a concomitant reduction of diffusion coefficients of all species in the solutions.

Molecular masses and sedimentation coefficients of extracellular hemoglobin of Glossoscolex paulistus: Alkaline oligomeric dissociation

The giant extracellular hemoglobin of Glossoscolex paulistus (HbGp) has a molecular mass (M) of 3600 +/- 100 kDa and a standard sedimentation coefficient (s(20.w)(0)) of 58 S. estimated by analytical ultracentrifugation (AUC). In the present work, further AUC studies were developed for HbGp, at pH 10.0, which favors oligomeric dissociation into lower M species. The HbGp oligomer is formed by globin chains a, b, c and d plus the linker chains. The pure monomeric fraction, subunit d, and HbGp at pH 10.0, in the presence of beta-mercaptoethanol, were also studied. Our results indicate that for samples of pure subunit d, besides the monomeric species with s(20.w)(0) of 2.0 S, formation of dimer of subunit d is observed with s(20.w)(0) of around 2.9 S. For the whole HbGp at pH 10.0 contributions from monomers, trimers and linkers are observed. No contribution from 58 S species was observed for the sample of oxy-HbGp at pH 10.0, showing its complete dissociation. For cyanomet-HbGp form a contribution of 17% is observed for the un-dissociated oligomer, consistent with data from other techniques that show the cyanomet-form is more stable as compared to oxy-HbGp. Masses of HbGp subunits, especially trimer abc and monomeric chains a, b, c and d, were also estimated from sedimentation equilibrium data, and are in agreement with the results from MALDI-TOF-MS. (C) 2010 Elsevier B.V. All rights reserved.

Publikdragande namn eller aktivistermed drag i? : Om symboliskt kapital som maktresurs i den globala rättviserörelsens lokala organiseringsarbete

Crowd-pulling names or energetic activists? On symbolic capital as a power resource in the local organizational work within the global justice movement The article explores the global emergence of local Social Forums by means of an ethnographic study of the organization of the Stockholm Social Forum. In international academic debate, the forums are often discussed as a “globalization from below” and a new deliberative democratic process. However, empirical research on the organizational process, and its power relations, has been very limited. The theoretical concept symbolic capital (Bourdieu) and concepts from conversation analysis (CA) are used to analyze how power in terms of priority of interpretation is constructed in conversations between activists with differing political backgrounds. A detailed empirical analysis is based on the case of an internal discussion about inviting keynote speakers to the local forum. The results show how transnational networks and specific knowledge about the global social forum process became symbolic capital in the organizational process. Holders of this specific form of symbolic capital gained priority of interpretation in the internal discussions. This had an impact on the practical outcome of the organizational process in terms of the symbolic framing of the Social Forum. It is argued that the social forum process produces specific forms of cultural distinctions, social hierarchies and patterns of exclusion.

Skin friction coefficient on a yarn package surface in ring spinning

The skin friction coefficient on the surface of a rotating yarn package affects the power required to drive the package. This paper examines the relationship between the skin friction coefficient on the package surface and its diameter and rotating speed, based on the fundamentals of aerodynamics and the experimental results of power consumption. Skin friction coefficients on the surfaces of an airplane, car top, and yarn package are discussed. The results indicate that the skin friction coefficient on the package surface without hairiness depends on the package diameter and spindle speed only. The skin friction coefficient on the yarn package surface is about three times that on the top surface of a car, and is about twenty times that on an airplane surface. The power consumed to overcome skin friction drag is more than that consumed to drive the spindle if the spindle speed is very slow. However, the situation reverses when the spindle speed is fast.

The effect of yarn hairiness on air drag in ring spinning

Air drag on yarn and package surfaces affects yarn tension, which in turn affects energy consumption and ends-down in ring spinning. This study investigated the effects of yarn hairiness on air drag in ring spinning. Theoretical models of skin friction coefficient on the surface of rotating yarn packages were developed. The predicted results were verified with experimental data obtained from cotton and wool yarns. The results show that hairiness increases the air drag by about one-quarter and one-third for the rotating cotton and wool yarn packages, respectively. In addition, yarn hairiness increases the air drag by about one-tenth on a ballooning cotton yarn.

Local total and radiative heat-transfer coefficients during the heat treatment of a workpiece in a fluidised bed

The heat-transfer coefficients around a workpiece immersed in an electrically heated heat treatment fluidised bed were studied. A suspension probe designed to simulate a workpiece of complex geometry was developed to measure local total and radiative heat-transfer coefficients at a high bed temperature. The probe consisted of an energy-storage region separated by insulation from the fluidised bed, except for the measuring surface, and a multi-thermocouple measurement system. Experiments in the fluidised bed were performed for a fluidising medium of 120-mesh alumina, a wide temperature range of 110–1050 °C and a fluidising number range of 1.18–4.24. It was found that the workpiece surface temperature has a more significant effect on heat transfer than the bed temperature. The total heat-transfer coefficient at the upper surface of the workpiece sharply decreased at the start of heating, and then steadily increased as heating progressed, while a sharp decrease became a rapid increase and then a slow increase for the radiative heat-transfer coefficient. A great difference in the heat-transfer coefficients around the workpiece was observed.

Suppression of natural convection heat transfer coefficients in an attic shaped enclosure

The use of convection suppression devices has been widely discussed in the literature as a means of reducing natural convection heat loss from enclosed spaces. In this study the use of a single baffle was examined as a possible low cost means of suppressing heat loss by natural convection in an attic shaped enclosure.

Recently the authors experimentally demonstrated that the natural convection heat transfer for an attic shaped enclosure with Grashof Numbers in the range of 107 to 109 [1] could be predicted using a correlation in the literature developed for Grashof Numbers in the range 105 and 106 [2]. However, in this study the impact of adding a single baffle to the enclosure was examined. It was found that the heat transfer coefficient changes with increasing baffle length, and can be predicted using a modified form of the correlation presented in [1], as shown in Eq. (1).

Video genre categorization using audio wavelet coefficients

In this paper, we investigate the use of a wavelet transform-based analysis of audio tracks accompanying videos for the problem of automatic program genre detection. We compare the classification performance based on wavelet-based audio features to that using conventional features derived from Fourier and time analysis for the task of discriminating TV programs such as news, commercials, music shows, concerts, motor racing games, and animated cartoons. Three different classifiers namely the Decision Trees, SVMs, and k-Nearest Neighbours are studied to analyse the reliability of the performance of our wavelet features based approach. Further, we investigate the issue of an appropriate duration of an audio clip to be analyzed for this automatic genre determination. Our experimental results show that features derived from the wavelet transform of the audio signal can very well separate the six video genres studied. It is also found that there is no significant difference in performance with varying audio clip durations across the classifiers.

Drag models comparison by single injection in vacuum fluidised beds

Single bubble injection simulations inside a minimally fluidized bed have been studied widely and are often used to validate the accuracy of different numerical models. Bubble shape, size and voidage distribution are the important parameters that are validated from the experiments. In the present work, the most widely used drag model (Gidaspow’s drag model) is compared to a new proposed slip flow drag model which takes into account the presence of the slip flow regime, often encountered in vacuum fluidized beds and characterised by Knudsen no. (Kn). Shape and size prediction of the bubble evolution inside the bed is carried out numerically by using the two fluid model, comparing the results predicted by the drag models. It is seen that the predictions are different for the two drag models only under high vacuum conditions corresponding to Kn in slip/transition flow regime. The predictions are also found sensitive to pressure gradient in the bed and fluid velocity.