Heat capacity and thermodynamic properties of N-(2-cyanoethyl) aniline (C9H10N2)

The low temperature heat capacities of N-(2-cyanoethyl)aniline were measured with an automated adiabatic calorimeter over the temperature range from 83 to 353 K. The temperature corresponding to the maximum value of the apparent heat capacity in the fusion interval, molar enthalpy and entropy of fusion of this compound were determined to be 323.33 +/- 0.13 K, 19.4 +/- 0.1 kJ mol(-1) and 60.1 +/- 0.1 J K-1 mol(-1), respectively. Using the fractional melting technique, the purity of the sample was determined to be 99.0 mol% and the melting temperature for the tested sample and the absolutely pure compound were determined to be 323.50 and 323.99 K, respectively. A solid-to-solid phase transition occurred at 310.63 +/- 0.15 K. The molar enthalpy and molar entropy of the transition were determined to be 980 +/- 5 J mol(-1) and 3.16 +/- 0.02 J K-1 mol(-1), respectively. The thermodynamic functions of the compound [H-T - H-298.15] and [S-T - S-298.(15)] were calculated based on the heat capacity measurements in the temperature range of 83-353 K with an interval of 5 K. (c) 2004 Elsevier B.V. All rights reserved.

Low temperature heat capacity of (S)-ibuprofen

Molar heat capacities of ( S)-ibuprofen were precisely measured with a small sample precision automated adiabatic calorimeter over the temperature range from 80 to 370 K. Experimental heat capacities were fitted into a polynomial equation of heat capacities ( C-p,C- m) with reduced temperature ( X), [ X = f(T)]. The polynomial equations for ( S)-ibuprofen were C-p,C- m(s) = - 39.483 X-4 - 66. 649 X-3 + 95. 196 X-2 + 210. 84 X + 172. 98 in solid state and C-p,C- m(L) = 7. 191X(3) + 4. 2774 X-2 + 56. 365 X + 498. 5 in liquid state. The thermodynamic functions relative to the reference temperature of 298. 15 K, H-T - H-298.15 and S-T - S-298.15, were derived for the( S)-ibuprofen. A fusion transition at T-m = (324. 15 +/- 0. 02) K was found from the C-p - T curve. The molar enthalpy and entropy of the fusion transition were determined to be (18. 05 +/- 0. 31) kJ.mol(-1) and (55. 71 +/- 0. 95) J.mol(-1).K-1, respectively. The purity of the ( S)-ibuprofen was determined to be 99. 44% on the basis of the heat capacity measurement. Finally, the heat capacities of ( S)-ibuprofen and racemic ibuprofen were compared.

Determination of heat capacities and thermodynamic properties of 2-(chloromethylthio)benzothiazole by an adiabatic calorimeter

The molar heat capacities of 2-(chloromethylthio)benzothiazole (molecular formula C8H6ClNS2, CA registry no. 28908-00-1) were measured with an adiabatic calorimeter in the temperature range between (80 and 350) K. The construction and procedures of the calorimeter were described in detail. The performance of the calorimetric apparatus was evaluated by heat capacity measurements on alpha-Al2O3. The deviation of experiment heat capacities from the corresponding smoothed values lies within 0.3%, whereas the uncertainty is within +/-0.5%, compared with that of the recommended reference data over the whole experimental temperature range. A fusion transition was found from the C-p-T curve of 2-(chloromethylthio)benzothiazole. The melting temperature and the molar enthalpy and entropy of fusion of the compound were determined to be T-m = (315.11 +/- 0.04) K, Delta(fus)H(m) = (17.02 +/- 0.03) kJ(.)mol(-1), and Delta(fus)S(m) = (54.04 +/- 0.05) J(.)mol(-1.)K(-1), respectively. The thermodynamic functions (H-T - H-298.15) and (S-T - S-298.15) were also derived from the heat capacity data. The molar fraction purity of the 2-(chloromethylthio)benzothiazole sample used in the present calorimetric study was determined to be 99.21 by fraction melting.

Measurements of the heat capacity of an azeotropic mixture of water and n-butanol from 78 to 320 K

Molar heat capacities of n-butanol and the azeotropic mixture in the binary system [water (x=0.716) plus n-butanol (x=0.284)] were measured with an adiabatic calorimeter in a temperature range from 78 to 320 K. The functions of the heat capacity with respect to thermodynamic temperature were established for the azeotropic mixture. A glass transition was observed at (111.9 +/- 1.1) K. The phase transitions took place at (179.26 +/- 0.77) and (269.69 +/- 0.14) K corresponding to the solid-liquid phase transitions of. n-butanol and water, respectively. The phase-transition enthalpy and entropy of water were calculated. A thermodynamic function of excess molar heat capacity with respect to temperature was established, which took account of physical mixing, destructions of self-association and cross-association for n-butanol and water, respectively. The thermodynamic functions and the excess thermodynamic ones of the binary systems relative to 298.15 K were derived based on the relationships of the thermodynamic functions and the function of the measured heat capacity and the calculated excess heat capacity with respect to temperature.

Heat capacity and thermodynamic properties of myclobutanil

The low-temperature heat capacities of myclobutanil (C15H17CIN4) were precisely measured with an automated adiabatic calorimeter over the temperature range from 78 to 368 K. The sample was observed to melt at (348.800 +/- 0.06) K. The molar enthalpy and entropy of the melting as well as the chemical purity of the substance were determined to be Delta(fus)H(m) = (30931 +/- 11) J.mol(-1), Delta(fus)S(m) = (88.47 +/- 0.02) J.mol(-1).K-1 and 99.41%, respectively. Further research of the melting process for this compound was carried out by means of DSC technique. The result was in agreement with that obtained from the measurements of heat capacities.

Heat capacity and enthalpy of fusion of fenoxycarb

Fenoxycarb was synthesized and its heat capacities were precisely measured with an automated adiabatic calorimeter over the temperature range from 79 to 360 K. The sample was observed to melt at (326.31 +/- 0.14) K. The molar enthalpy and entropy of fusion as well as the chemical purity of the compound were determined to be (26.98 +/- 0.04) kJ-mol(-1), (82.69 +/- 0.09) J-K-1-mol(-1) and 99.53% +/- 0.01%, respectively. The thermodynamic functions relative to the reference temperature (298.15 K) were calculated based on the heat capacity measurements in the temperature range between 80 and 360 K. The extrapolated melting temperature for the absolutely pure compound obtained from fractional melting experiments was (326.62 +/- 0.06) K. Further research on the melting process of this compound was carried out by means of differential scanning calorimetry technique. The result was in agreement with that obtained from the measurements of heat capacities.

William Hope Hodgson's borderlands: monstrosity, other worlds, and the future at the fin de siècle.

William Hope Hodgson has generally been understood as the author of several atmospheric sea-horror stories and two powerful but flawed horror science fiction novels. There has been no substantial study analysing the historical and cultural context of his fiction or its place in the Gothic, horror, and science fiction literary traditions. Through analysing the theme of borderlands, this thesis contextualises Hodgson’s novels and short stories within these traditions and within late Victorian cultural discourse. Liminal other world realms, boundaries of corporeal monstrosity, and the imagined future of the world form key elements of Hodgson’s fiction, reflecting the currents of anxiety and optimism characterising fin-de-siècle British society. Hodgson’s early career as a sailor and his interest in body-building and physical culture colour his fiction. Fin-de-siècle discourses of evolution, entropy, spiritualism, psychical research, and the occult also influence his ideas. In The House on the Borderland (1908) and The Night Land (1912), the known world brushes against other forms of reality, exposing humanity to incomprehensible horrors. In The Ghost Pirates (1909), the sea forms a liminal region on the borderland of materiality and immateriality in which other world encounters can take place. In The Night Land and The Boats of the ‘Glen Carrig’ (1907), evolution gives rise to strange monstrous forms existing on the borderlines of species and identity. In Hodgson’s science fiction—The House on the Borderland and The Night Land—the future of the earth forms a temporal borderland of human existence shaped by fin-de-siècle fears of entropy and the heat-death of the sun. Alongside the work of other writers such as H. G. Wells and Arthur Machen, Hodgson’s four novels respond to the borderland discourses of the fin de siècle, better enabling us to understand the Gothic literature of the period as well as Hodgson’s position as a writer who offers a unique imaginative perspective on his contemporary culture.

Fuzzy-Rough Data Reduction with Ant Colony Optimization.

R. Jensen and Q. Shen, 'Fuzzy-Rough Data Reduction with Ant Colony Optimization,' Fuzzy Sets and Systems, vol. 149, no. 1, pp. 5-20, 2005.

Selecting Informative Features with Fuzzy-Rough Sets and its Application for Complex Systems Monitoring.

Q. Shen and R. Jensen, 'Selecting Informative Features with Fuzzy-Rough Sets and its Application for Complex Systems Monitoring,' Pattern Recognition, vol. 37, no. 7, pp. 1351-1363, 2004.

A scenario-driven decision support system for serious crime investigation

Q. Shen, J. Keppens, C. Aitken, B. Schafer, and M. Lee. A scenario driven decision support system for serious crime investigation. Law, Probability and Risk, 5(2):87-117, 2006. Sponsorship: UK Engineering and Physical Sciences Research Council grant GR/S63267; partially supported by grant GR/S98603

Fuzzy-Rough Feature Significance for Fuzzy Decision Trees

R. Jensen and Q. Shen, 'Fuzzy-Rough Feature Significance for Fuzzy Decision Trees,' in Proceedings of the 2005 UK Workshop on Computational Intelligence, pp. 89-96, 2005.

Polyamorphism in aluminate liquids

McMillan, P. F., Wilson, M., Wilding, M. C. (2003). Polyamorphism in aluminate liquids. Journal of Physics: Condensed Matter, 15 (36), 6105-6121 RAE2008

Piecewise Linear Models for the Quasiperiodic Transition to Chaos

We formulate and study analytically and computationally two families of piecewise linear degree one circle maps. These families offer the rare advantage of being non-trivial but essentially solvable models for the phenomenon of mode-locking and the quasi-periodic transition to chaos. For instance, for these families, we obtain complete solutions to several questions still largely unanswered for families of smooth circle maps. Our main results describe (1) the sets of maps in these families having some prescribed rotation interval; (2) the boundaries between zero and positive topological entropy and between zero length and non-zero length rotation interval; and (3) the structure and bifurcations of the attractors in one of these families. We discuss the interpretation of these maps as low-order spline approximations to the classic ``sine-circle'' map and examine more generally the implications of our results for the case of smooth circle maps. We also mention a possible connection to recent experiments on models of a driven Josephson junction.

A Note On the Statistical Difference of Small Direct Products

We demonstrate that if two probability distributions D and E of sufficiently small min-entropy have statistical difference ε, then the direct-product distributions D^l and E^l have statistical difference at least roughly ε\s√l, provided that l is sufficiently small, smaller than roughly ε^{4/3}. Previously known bounds did not work for few repetitions l, requiring l>ε^2.

On the Intrinsic Locality Properties of Web Reference Streams

There has been considerable work done in the study of Web reference streams: sequences of requests for Web objects. In particular, many studies have looked at the locality properties of such streams, because of the impact of locality on the design and performance of caching and prefetching systems. However, a general framework for understanding why reference streams exhibit given locality properties has not yet emerged. In this work we take a first step in this direction, based on viewing the Web as a set of reference streams that are transformed by Web components (clients, servers, and intermediaries). We propose a graph-based framework for describing this collection of streams and components. We identify three basic stream transformations that occur at nodes of the graph: aggregation, disaggregation and filtering, and we show how these transformations can be used to abstract the effects of different Web components on their associated reference streams. This view allows a structured approach to the analysis of why reference streams show given properties at different points in the Web. Applying this approach to the study of locality requires good metrics for locality. These metrics must meet three criteria: 1) they must accurately capture temporal locality; 2) they must be independent of trace artifacts such as trace length; and 3) they must not involve manual procedures or model-based assumptions. We describe two metrics meeting these criteria that each capture a different kind of temporal locality in reference streams. The popularity component of temporal locality is captured by entropy, while the correlation component is captured by interreference coefficient of variation. We argue that these metrics are more natural and more useful than previously proposed metrics for temporal locality. We use this framework to analyze a diverse set of Web reference traces. We find that this framework can shed light on how and why locality properties vary across different locations in the Web topology. For example, we find that filtering and aggregation have opposing effects on the popularity component of the temporal locality, which helps to explain why multilevel caching can be effective in the Web. Furthermore, we find that all transformations tend to diminish the correlation component of temporal locality, which has implications for the utility of different cache replacement policies at different points in the Web.