Quantitative structure-property relationship study on reductive dehalogenation of selected halogenated aliphatic hydrocarbons in sediment slurries

In this study, by the use of partial least squares (PLS) method and 26 quantum chemical descriptors computed by PM3 Hamiltonian, a quantitative structure-property relationship (QSPR) model was developed for reductive dehalogenation rate constants of 13 halogenated aliphatic compounds in sediment slurry under anaerobic conditions. The model can be used to explain the dehalogenation mechanism. Halogenated aliphatic compounds with great energy of the lowest unoccupied molecular orbital (E-lumo), total energy (TE), electronic energy (EE), the smallest bond order of the carbon-halogen bonds (BO) and the most positive net atomic charges on an atom of the molecule (q(+)) values tend to be reductively dehalogenated slow, whereas halogenated aliphatic compounds with high values of molecular weight (Mw), average molecular polarizability (a) and core-core repulsion energy (CCR) values tend to be reductively dehalogenated fastest. (C) 2001 Published by Elsevier Science Ltd.

MEASUREMENT OF SOLID SLURRY FLOW VIA CORRELATION OF ELECTROMAGNETIC FLOW METER, ELECTRICAL RESISTANCE TOMOGRAPHY AND MECHANISTIC MODELLING

The study presented here was carried out to obtain the actual solids flow rate by the combination of electrical resistance tomography and electromagnetic flow meter. A new in-situ measurement method based on measurements of the Electromagnetic Flow Meters (EFM) and Electrical Resistance Tomography (ERT) to study the flow rates of individual phases in a vertical flow was proposed. The study was based on laboratory experiments that were carried out with a 50 mm vertical flow rig for a number of sand concentrations and different mixture velocities. A range of sand slurries with median particle size from 212 mu m to 355 mu m was tested. The solid concentration by volume covered was 5% and 15%, and the corresponding density of 5% was 1078 kg/m(3) and of 15% was 1238 kg/m(3). The flow velocity was between 1.5 m/s and 3.0 m/s. A total of 6 experimental tests were conducted. The equivalent liquid model was adopted to validate in-situ volumetric solids fraction and calculate the slip velocity. The results show that the ERT technique can be used in conjunction with an electromagnetic flow meter as a way of measurement of slurry flow rate in a vertical pipe flow. However it should be emphasized that the EFM results must be treated with reservation when the flow pattern at the EFM mounting position is a non-homogenous flow. The flow rate obtained by the EFM should be corrected considering the slip velocity and the flow pattern.

Experimental study on flow characters of CH3CCl2F hydrate slurry

The flow behaviors of CH3CCl2F hydrate slurry with volume concentration of 10-70% were studied in a new built flow loop with a diameter of 42.0 mm and length of 30.0 m. Morphologies of the fluids from slurrylike hydrates to slushlike hydrates with increasing of hydrate volume concentration in pipeline were observed. Pressure drops in pipeline also were studied and an exceptional pressure transition zone with hydrate volume concentration between 30% and 40% was found for the first time, which can be used as a notation to judge if the pipeline runs safely or not. Fanning friction factors of the hydrate slurries with all hydrate contents tend to constants between 0.38 and 0.5, which depend on the volume concentration in slurries, when the velocity reaches 1.5 m/s. A simple relation to estimate the pressure drop of hydrate slurry in pipeline was presented and verified. Experimental results were compared to the estimated results, which showed a good agreement. 

Effects of Cu-Wire Surface Fluctuations on Early Failures

Different chemical mechanical polishing （CMP） slurries are used to obtain single-damascene Cu-wires with different surface fluctuations as well as pre-existing surface-defects in wires with rougher surfaces. The presence of such pre-existing defects strongly increases the rate of early failures to almost 100%, reduces electromigration lifetime rapidly to the level of early failures, and changes the multimodal failure distribution into monomodal. The activation energy （0. 74±0.02eV） for the failure mechanism associated with these pre-existing defects confirms a dominant surface diffusion. It shows how a weakest link approximation analysis can he applied to a single wire by dividing the wire into relevant segments and assigning different failure mechanisms to the various segments. The analysis confirms that, although surface-defects are not the fastest early failure mechanism, the ten times higher surface-defectdensity in the rougher wires is responsible for the observed high early-failure rate and unreliable performance.

Kinetic study on the photo-catalytic degradation of pyridine in TiO2 suspension systems

It has been generally agreed that pyridine can be effectively mineralized in aerated TiO2 slurries using near-UV irradiation. The knowledge on the kinetics of the system possesses both practical and theoretical values. The present study, on the base of Langmuir-Hinshewood mechanism, illustrates a pseudo first-order kinetic model of the degradation with the limiting rate constant of 3.004 mg l(-1) min(-1) and equilibrium adsorption constant 2.763 x 10(-2) l mg(-1), respectively. The degradation efficiency in alkali is a little higher than that in acid with a minimum at about pH = 5, which is explained by the formation of acid-pyridine in acidic surrounding together with the amphoteric nature of the TiO2 surface. The promotion of H2O2 on the photo-degradation ties in its supplying proper amount of (OH)-O-. radicals for the inducement stage before surface redox reactions. (C) 2004 Elsevier B.V. All rights reserved.