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.

Thermodynamic properties of ethanol and gasoline blended fuel

The heat capacities (C-p) of five types of gasohol (50 wt % ethanol and 50 wt % unleaded gasoline 93(#) (E50), 60 wt % ethanol and 40 wt % unleaded gasoline 93(#) (E60), 70 wt % ethanol and 30 wt % unleaded gasoline 93(#) (E70), 80 wt % ethanol and 20 wt % unleaded gasoline 93(#) (E80), and 90 wt % ethanol and 10 wt % unleaded gasoline 93(#) (E90), where the "93" denotes the octane number) were measured by adiabatic calorimetry in the temperature range of 78-320 K. A glass transition was observed at 95.61, 96.14, 96.56, 96.84, and 97.08 K for samples from the E50, E60, E70, E80, and E90 systems, respectively. A liquid-solid phase transition and a solid-liquid phase transition were observed in the respective temperature ranges of 118-153 and 155-163 K for E50, 117-150 and 151-164 K for E60, 115-154 and 154-166 K for E70, 113-152 and 152-167 K for E80, and 112-151 and 1581-167 K for E90. The polynomial equations of Cp and the excess heat capacities (C-p(E)), with respect to the thermodynamic temperature, were established through least-squares fitting. Based on the thermodynamic relationship and the equations obtained, the thermodynamic functions and the excess thermodynamic functions of the five gasohol samples were derived.

Energy-dependent in-situ small-angle x-ray scattering study of nano-ceramics

R Winter, D Le Messurier, CM Martin; Cryst Rev 12 (2006) 3 Sponsorship: EPSRC, CCLRC, Pilkington

The dynamics of water in hydrated white bread investigated using quasielastic neutron scattering

Kargl, Florian; Sj?str?m, J.; Fernandez-Alonso, F.; Swenson, J., (2007) 'The dynamics of water in hydrated white bread investigated using quasielastic neutron scattering', Journal of Physics: Condensed Matter 19 pp.415119 RAE2008

Geographical distribution of red and green Noctiluca scintillans

The dinoflagellate Noctiluca scintillans is one of the most important and abundant red tide organisms and it is distributed world-wide. It occurs in two forms. Red Noctiluca is heterotrophic and fills the role of one of the microzooplankton grazers in the foodweb. In contrast, green Noctiluca contains a photosynthetic symbiont Pedinomonas noctilucae (a prasinophyte), but it also feeds on other plankton when the food supply is abundant. In this review, we document the global distribution of these two forms and include the first maps of their global distribution. Red Noctiluca occurs widely in the temperate to sub-tropical coastal regions of the world. It occurs over a wide temperature range of about 10°C to 25°C and at higher salinities (generally not in estuaries). It is particularly abundant in high productivity areas such as upwelling or eutrophic areas where diatoms dominate since they are its preferred food source. Green Noctiluca is much more restricted to a temperature range of 25°C–30°C and mainly occurs in tropical waters of Southeast Asia, Bay of Bengal (east coast of India), in the eastern, western and northern Arabian Sea, the Red Sea, and recently it has become very abundant in the Gulf of Oman. Red and green Noctiluca do overlap in their distribution in the eastern, northern and western Arabian Sea with a seasonal shift from green Noctiluca in the cooler winter convective mixing, higher productivity season, to red Noctiluca in the more oligotrophic warmer summer season.

Xanthoria parietina as a biomonitor of airborne heavy metal pollution in forest sites in the North East of Morocco

Xanthoria parietina, common foliose lichen, growing in its natural habitat, was analysed for the concentration of five heavy metals (Fe, Cr, Zn, Pb and Cu) from different forest sites of North East of Morocco (Kenitra, Sidi Boughaba, Mkhinza, Ceinture Verte near Temara city, Skhirate, Bouznika and Mohammedia). The quantification was carried out by inductively coupled plasma - atomic emission spectrometry (ICP-AES). Results were highly significant p<0,001. The concentration of metals is correlated with the vehicular activity and urbanization. The total metal concentration is highest at the Kenitra area, followed by Ceinture Verte site near Temara city, which experience heavy traffic throughout the year. Scanning electron microscopy (SEM) of particulate matter on lichen of Xanthoria parietina was assessed as a complementary technique to wet chemical analysis for source apportionment of airborne contaminant. Analysis revealed high level of Cu, Cr, Zn and Pb in samples near roads.  

Effective collision strengths for transitions in Fe XIII

Effective collision strengths for transitions among the lowest 97 fine-structure levels belonging to the (1s(2)2s(2)2p(6)) 3s(2)3p(2), 3s3p(3), 3s(2)3p3d, 3p(4), 3s3p(2)3d and 3s(2)3d(2) configurations of Fe XIII have been calculated using the fully relativistic Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2004). Resonances have been resolved in the threshold region, and results are reported over a wide electron temperature range up to log T-e = 6.8 K. Comparisons are made with the earlier available R-matrix results of Gupta & Tayal (1998), and the accuracy of the data is assessed.

Effective collision strengths for transitions in Fe X

Collision strengths for 4005 transitions among the lowest 90 levels of the (1s(2)2s(2)2p(6)) 3s(2)3p(5), 3s3p(6), 3s(2)3p(4)3d, 3s3p(5)3d and 3s(2)3p(3)3d(2) configurations of Fe X have been calculated using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant, over a wide energy range up to 210 Ryd. Resonances have been resolved in the threshold region, and effective collision strengths have been obtained over a wide temperature range up to 107 K. The present calculations should represent a significant improvement ( in both range and accuracy) over the earlier available results of Bhatia & Doschek and Pelan & Berrington. Based on several comparisons, the accuracy of our data is assessed to be better than 20%, for a majority of transitions.

Electron impact excitation of Ar XVII

Energies for the lowest 49 levels among the 1s(2) and 1snl (n = 2-5) configurations of Ar XVII have been calculated using the GRASP code of Dyall et al. (1989, Comput. Phys. Comm., 55, 424). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Furthermore, collision strengths have also been calculated for all the 1176 transitions among the above 49 levels using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2005, Comput. Phys. Commun., in preparation), over a wide energy range up to 580 Ryd. Resonances have been resolved in the threshold region, and effective collision strengths have been obtained over a wide temperature range up to log T-e = 7.2 K. Comparisons are made with the limited results available in the literature, and the accuracy of the data is assessed. Our energy levels are estimated to be accurate to better than 0.1%, whereas results for other parameters are probably accurate to better than 20%.

Excitation rates for transitions in Ca XV

Collision strengths for transitions among the energetically lowest 46 fine-structure levels belonging to the (1s(2)) 2s(2)2p(2), 2s2p(3), 2p(4), and 2s(2)2p3l configurations of Ca XV are computed, over a wide electron energy range below 300 Ryd, using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Resonances in the threshold region have been resolved in a fine energy mesh, and excitation rates are determined over a wide electron temperature range below 10(7) K. The results are compared with those available in the literature, and the accuracy of the data is assessed.

Effective collision strengths for transitions in Fe XI

Collision strengths for transitions among the lowest 48 fine- structure levels belonging to the (1s(2)2s(2)2p(6)) 3s(2)3p(4), 3s3p(5), 3s(2)3p(3)3d and 3p(6) configurations of Fe XI have been calculated using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Results are tabulated at energies above thresholds in the range 10 less than or equal to E less than or equal to 100 Ry, although resonances have been resolved in a fine energy mesh in the thresholds region. Effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron velocities, are also tabulated over a wide electron temperature range below 5 x 10(6) K. Comparisons with other available results are made, and the accuracy of the present data is assessed.

Effective collision strengths for transitions within the ground configuration of Fe XXI

Effective collision strengths for transitions among the energetically lowest 46 fine-structure levels belonging to the (1s(2)) 2S(2) 2p(2), 2s2p(3), 2p(4), 2S(2)2p3s, 2s(2)2p3p and 2S(2)2p3d configurations of Fe XXI are computed, over an electron temperature range of 5.6 less than or equal to log T-e less than or equal to 7.4 K, using the recent Dirac Atomic R- matrix Code (DARC) of Norrington and Grant. Results are presented for transitions within the ground configuration only, and are compared with earlier R matrix calculations. Large discrepancies are observed for many transitions, especially at lower temperatures.

Effective collision strengths for transitions in Fe XV

Collision strengths for transitions among the energetically lowest 53 fine-structure levels belonging to the (1s(2)2s(2)2p(6)) 3l(2), 3l3l', 3s4l and 3p4s configurations of Fe XV are computed, over an electron energy range below 160 Ryd, using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron energies, have also been calculated. These results of effective collision strengths are tabulated for all 1378 inelastic transitions over a wide temperature range of 10(5) to 10(7) K. Comparisons are also made with other R-matrix calculations and the accuracy of the results is assessed.

Effective collision strengths for transitions among the 3s(2), 3s3p and 3p(2) configurations of Fe xv

Effective collision strengths for transitions among the ten energetically lowest fine-structure levels belonging to the (1s(2)2s(2)2p(6))3s(2), 3s3p and 3p(2) configurations of Fe xv have been calculated in the electron temperature range of 10(5)-10(7) K, using the recent Dirac atomic R-matrix code of Norrington and Grant. The results are compared with the other recently available independent Breit-Pauli R-matrix calculations of Eissner et al (Eissner W, Galavis M E, Mendoza C and Zeippen C J 1999 Astron. Astrophys. Suppl. 137 165) and Griffin et al (Griffin DC, Badnell N R, Pindzola M S and Shaw J A 1999 J. Phys. B: At. Mol. Opt. Phys. 32 2139, 4129). Large differences are observed for many transitions over almost the entire temperature range. These differences are analysed and discussed, and the accuracy of the calculations is assessed.