Search results for "Han"

Theoretical investigation of the spin crossover transition states of the addition of methane to a series of Group 6 metallocenes using minimum energy…

2016

International audience; Density functional calculations are reported on the addition of methane to Group 6 metallocenes, M(η-C5H5)2 (M), M(CH2(η-C5H4)2) (a-M) and M(η-C5Me5)2 (M*) where M = Mo and W. Full geometry optimisations were carried out on the singlet and triplet 16 electron complexes, 1[M] and 3[M], the η2-methane complexes, 1[M(η2-CH4)], and the hydridomethyl adducts, 1[M(CH3)(H)]. The triplet state for [M] was found to be more stable for all six metallocenes, the difference being least in the case of the ansa-bridged system. Formation of the hydridomethyl complexes was exoenergetic for all tungsten systems and for a-Mo, the other two Mo systems being endoenergetic. Minumum energy…

Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.

2016

Four novel cobalt-substituted polyoxometalates having cobalt cores exhibiting cubane or dicubane topologies have been synthesized and characterized by IR, elemental analysis, electrochemistry, UV-vis spectroscopy, X-ray single-crystal analysis, and magnetic studies. The tetracobalt(II)-substituted polyoxometalate [Co4(OH)3(H2O)6(PW9O34)](4-) (1) consists of a trilacunary [B-α-PW9O34](9-) unit which accommodates a cubane-like {Co(II)4O4} core. In the heptacobalt(II,III)-containing polyoxometalates [Co7(OH)6(H2O)6(PW9O34)2](9-) (2), [Co7(OH)6(H2O)4(PW9O34)2]n(9n-) (3), and [Co7(OH)6(H2O)6(P2W15O56)2](15-) (4), dicubane-like {Co(II)6Co(III)O8} cores are encapsulated between two heptadentate [B…

Rigid Closed‐Cell PUR Foams Containing Polyols Derived from Renewable Resources: The Effect of Polymer Composition, Foam Density, and Organoclay Fill…

2017

Determination and Toxicology Studies of Quaternary Ammonium Salts in Solution after Organoclay Processing

2018

Organoclays have potential to be used as additives in various facade paints and other finishing materials. Such new innovative materials must be rigorously tested for them to have no impact on environment. Focus of this study was to develop HPLC – TOF/MS method for determining quaternary ammonium salts in various material washing solutions and to determine organoclay toxicity by performing acute toxicity test on Daphnia magna. From the obtained results, it was possible to conclude that organoclays can be safely used as additives in various materials with low or no impact on environment. We determined that organoclays are significantly less toxic then some quaternary ammonium salts on its ow…

Quasi-geostrophic jet-like flow with obstructions

2021

International audience; Jet-like flows are ubiquitous in the atmosphere and oceans, and thus a thorough investigation of their behaviour in rotating systems is fundamental. Nevertheless, how they are affected by vegetation or, generally speaking, by obstructions is a crucial aspect which has been poorly investigated up to now. The aim of the present paper is to propose an analytical model developed for jet-like flows in the presence of both obstructions and the Coriolis force. In this investigation the jet-like flow is assumed homogeneous, turbulent and quasi-geostrophic, and with the same density as the surrounding fluid. Laws of momentum deficit, length scales, velocity scales and jet cen…

A trajectory-based classification of ERA-Interim ice clouds in the region of the North Atlantic storm track

2016

A two-type classification of ice clouds (cirrus) is introduced, based on the liquid and ice water content, LWC and IWC, along air parcel backward trajectories from the clouds. In situ cirrus has no LWC along the trajectory segment containing IWC; it forms via nucleation from the gas phase. In contrast, liquid-origin cirrus has both LWC and IWC along their backward trajectories; it forms via lifting from the lower troposphere and freezing of mixed-phase clouds. This classification is applied to 12 years of ERA-Interim ice clouds in the North Atlantic region. Between 400 and 500 hPa more than 50% are liquid-origin cirrus, whereas this frequency decreases strongly with altitude (<10% at 200 hP…

Dimensionless Stage-Discharge Relationship for a Non-Linear Water Reservoir: Theory and Experiments

2020

In the field of hydrology, stage&ndash

Flow resistance equation for rills

2017

In this paper, a new flow resistance equation for rill flow was deduced applying dimensional analysis and self‐similarity theory. At first, the incomplete self‐similarity hypothesis was used for establishing the flow velocity distribution whose integration gives the theoretical expression of the Darcy–Weisbach friction factor. Then the deduced theoretical resistance equation was tested by some measurements of flow velocity, water depth, cross section area, wetted perimeter, and bed slope carried out in 106 reaches of some rills shaped on an experimental plot. A relationship between the velocity profile, the channel slope, and the flow Froude number was also established. The analysis showed …

Discussion of "Analysis of extreme rainfall trends in sicily for the evaluation of depth-duration-frequency curves in climate change scenarios" by Lo…

2016

In the original paper, the Authors investigated the presence of trends in extreme rainfall depths of duration d = 1, 3, 6, 12 and 24 hours, in Sicily. Trend analysis was performed by using the Mann-Kendal non-parametric test, which was applied at-site, for a number of 65 raingauges well distributed in the region, for the period 1950-2008. In order to overcome the gap of missing data, six years moving average series were considered in the Author’s analysis. In this discussion, the discussers highlighted some important observations about the paper presented by the Authors: i) The Authors applied the non-parametric Mann Kendall test to moving average series of rainfall data. The use of moving …

Long-term changes of the ice regime of rivers in Latvia

2016

The ice regime of rivers is considered a sensitive indicator of climate change. This paper summarises the results of research on the long-term changes in the ice regime parameters under changing climate conditions and their regional peculiarities in Latvia from 1945 to 2012. The ice cover duration on Latvian rivers has decreased during recent decades. The research results demonstrated that there is a positive trend as regards the formation of the ice cover and in 31.8% of the cases the trend is statistically significant at p &amp;lt; 0.05. As regards the breaking up of ice, there is a statistically significant negative trend in 93.2% of the cases at p &amp;lt; 0.05. This indicates an earlie…