Temporal Moments for Reactive Transport through Fractured Impermeable/Permeable Formations

The transport of reactive solutes through fractured porous formations has been analyzed. The transport through the porous block is represented by a general multiprocess nonequilibrium equation (MPNE), which, for the fracture, is represented by an advection-dispersion equation with linear equilibrium sorption and first-order transformation. An implicit finite-difference technique has been used to solve the two coupled equations. The transport characteristics have been analyzed in terms of zeroth, first, and second temporal moments of the solute in the fracture. The solute behavior for fractured impermeable and fractured permeable formations are first compared and the effects of various fracture and matrix transport parameters are analyzed. Subsequently, the transport through a fractured permeable formation is analyzed to ascertain the effect of equilibrium sorption, rate-limited sorption, and the multiprocess nonequilibrium transport process. It was found that the temporal moments were nearly identical for the fractured impermeable and permeable formations when both the diffusion coefficient and the first-order transformation coefficient were relatively large. The multiprocess nonequilibrium model resulted in a smaller mass recovery in the fracture and higher dispersion than the equilibrium and rate-limited sorption models. DOI: 10.1061/(ASCE)HE.19435584.0000586. (C) 2012 American Society of Civil Engineers.

A computational study of heat transfer, soot production and transport in an acetylene-air laminar diffusion flame in the field of a line vortex

The present work involves a computational study of soot formation and transport in case of a laminar acetylene diffusion flame perturbed by a co nvecting line vortex. The topology of the soot contours (as in an earlier experimental work [4]) have been investigated. More soot was produced when vortex was introduced from the air si de in comparison to a fuel side vortex. Also the soot topography was more diffused in case of the air side vortex. The computational model was found to be in good agreement with the ex perimental work [4]. The computational simulation enabled a study of the various parameters affecting soot transport. Temperatures were found to be higher in case of air side vortex as compared to a fuel side vortex. In case of the fuel side vortex, abundance of fuel in the vort ex core resulted in stoichiometrically rich combustion in the vortex core, and more discrete so ot topography. Overall soot production too was low. In case of the air side vortex abundan ce of air in the core resulted in higher temperatures and more soot yield. Statistical techniques like probability density fun ction, correlation coefficient and conditional probability function were introduced to explain the transient dependence of soot yield and transport on various parameters like temperature, a cetylene concentration.

Performance evaluation of chemistry transport models over India

Using continuous and near-real time measurements of the mass concentrations of black carbon (BC) aerosols near the surface, for a period of 1 year (from January to December 2006) from a network of eight observatories spread over different environments of India, a space-time synthesis is generated. The strong seasonal variations observed, with a winter high and summer low, are attributed to the combined effects of changes in synoptic air mass types, modulated strongly by the atmospheric boundary layer dynamics. Spatial distribution shows much higher BC concentration over the Indo-Gangetic Plain (IGP) than the peninsular Indian stations. These were examined against the simulations using two chemical transport models, GOCART (Goddard Global Ozone Chemistry Aerosol Radiation and Transport) and CHIMERE for the first time over Indian region. Both the model simulations significantly deviated from the measurements at all the stations; more so during the winter and pre-monsoon seasons and over mega cities. However, the CHIMERE model simulations show better agreement compared with the measurements. Notwithstanding this, both the models captured the temporal variations; at seasonal and subseasonal timescales and the natural variabilities (intra-seasonal oscillations) fairly well, especially at the off-equatorial stations. It is hypothesized that an improvement in the atmospheric boundary layer (ABL) parameterization scheme for tropical environment might lead to better results with GOCART.

Scalar transport in diffusion flame wrapped up by an air and fuel side vortex

The present work involves a computational study of soot (chosen as a scalar which is a primary pollutant source) formation and transport in a laminar acetylene diffusion flame perturbed by a convecting line vortex. The topology of soot contours resulting from flame vortex interactions has been investigated. More soot was produced when vortex was introduced from the air side in comparison to the fuel side. Also, the soot topography was spatially more diffuse in the case of air side vortex. The computational model was found to be in good agreement with the experimental work previously reported in the literature. The computational simulation enabled a study of various parameters like temperature, equivalence ratio and temperature gradient affecting the soot production and transport. Temperatures were found to be higher in the case of air side vortex in contrast to the fuel side one. In case of fuel side vortex, abundance of fuel in the vortex core resulted in fuel-rich combustion zone in the core and a more discrete soot topography. Besides, the overall soot production was observed to be low in the fuel side vortex. However, for the air side vortex, air abundance in the core resulted in higher temperatures and greater soot production. Probability density functions (PDFs) have been introduced to investigate the spatiotemporal variation of soot yield and transport and their dependence on temperature and acetylene concentration from statistical view point. In addition, the effect of flame curvature on soot production is also studied. The regions convex to fuel stream side witnessed thicker soot layer. All numerical simulations have been carried out on Fluent 6.3.26. (C) 2013 Elsevier Ltd. All rights reserved.

Inter-comparison and performance evaluation of chemistry transport models over Indian region

Aerosol loading over the South Asian region has the potential to affect the monsoon rainfall, Himalayan glaciers and regional air-quality, with implications for the billions in this region. While field campaigns and network observations provide primary data, they tend to be location/season specific. Numerical models are useful to regionalize such location-specific data. Studies have shown that numerical models underestimate the aerosol scenario over the Indian region, mainly due to shortcomings related to meteorology and the emission inventories used. In this context, we have evaluated the performance of two such chemistry-transport models: WRF-Chem and SPRINTARS over an India-centric domain. The models differ in many aspects including physical domain, horizontal resolution, meteorological forcing and so on etc. Despite these differences, both the models simulated similar spatial patterns of Black Carbon (BC) mass concentration, (with a spatial correlation of 0.9 with each other), and a reasonable estimates of its concentration, though both of them under-estimated vis-a-vis the observations. While the emissions are lower (higher) in SPRINTARS (WRF-Chem), overestimation of wind parameters in WRF-Chem caused the concentration to be similar in both models. Additionally, we quantified the under-estimations of anthropogenic BC emissions in the inventories used these two models and three other widely used emission inventories. Our analysis indicates that all these emission inventories underestimate the emissions of BC over India by a factor that ranges from 1.5 to 2.9. We have also studied the model simulations of aerosol optical depth over the Indian region. The models differ significantly in simulations of AOD, with WRF-Chem having a better agreement with satellite observations of AOD as far as the spatial pattern is concerned. It is important to note that in addition to BC, dust can also contribute significantly to AOD. The models differ in simulations of the spatial pattern of mineral dust over the Indian region. We find that both meteorological forcing and emission formulation contribute to these differences. Since AOD is column integrated parameter, description of vertical profiles in both models, especially since elevated aerosol layers are often observed over Indian region, could be also a contributing factor. Additionally, differences in the prescription of the optical properties of BC between the models appear to affect the AOD simulations. We also compared simulation of sea-salt concentration in the two models and found that WRF-Chem underestimated its concentration vis-a-vis SPRINTARS. The differences in near-surface oceanic wind speeds appear to be the main source of this difference. In-spite of these differences, we note that there are similarities in their simulation of spatial patterns of various aerosol species (with each other and with observations) and hence models could be valuable tools for aerosol-related studies over the Indian region. Better estimation of emission inventories could improve aerosol-related simulations. (C) 2015 Elsevier Ltd. All rights reserved.

Reconstructing The Vertical Distribution Of The Aeolian Saltation Mass Flux Based On The Probability Distribution Of Lift-Off Velocity

The probability distribution of lift-off velocity of the saltating grains is a bridge to linking microscopic and macroscopic research of aeolian sand transport. The lift-off parameters of saltating grains (i.e., the horizontal and vertical lift-off velocities, resultant lift-off velocity, and lift-off angle) in a wind tunnel are measured by using a Phase Doppler Particle Analyzer (PDPA). The experimental results show that the probability distribution of horizontal lift-off velocity of saltating particles on a bed surface is a normal function, and that of vertical lift-off velocity is an exponential function. The probability distribution of resultant lift-off velocity of saltating grains can be expressed as a log-normal function, and that of lift-off angle complies with an exponential function. A numerical model for the vertical distribution of aeolian mass flux based on the probability distribution of lift-off velocity is established. The simulation gives a sand mass flux distribution which is consistent with the field data of Namikas (Namikas, S.L., 2003. Field measurement and numerical modelling of acolian mass flux distributions on a sandy beach, Sedimentology 50, 303-326). Therefore, these findings are helpful to further understand the probability characteristics of lift-off grains in aeolian sand transport. (c) 2007 Elsevier B.V. All rights reserved.

High temperature transport properties of lead chalcogenides and their alloys

This thesis describes a series of experimental studies of lead chalcogenide thermoelectric semiconductors, mainly PbSe. Focusing on a well-studied semiconductor and reporting good but not extraordinary zT, this thesis distinguishes itself by answering the following questions that haven’t been answered: What represents the thermoelectric performance of PbSe? Where does the high zT come from? How (and how much) can we make it better? For the first question, samples were made with highest quality. Each transport property was carefully measured, cross-verified and compared with both historical and contemporary report to overturn commonly believed underestimation of zT. For n- and p-type PbSe zT at 850 K can be 1.1 and 1.0, respectively. For the second question, a systematic approach of quality factor B was used. In n-type PbSe zT is benefited from its high-quality conduction band that combines good degeneracy, low band mass and low deformation potential, whereas zT of p-type is boosted when two mediocre valence bands converge (in band edge energy). In both cases the thermal conductivity from PbSe lattice is inherently low. For the third question, the use of solid solution lead chalcogenide alloys was first evaluated. Simple criteria were proposed to help quickly evaluate the potential of improving zT by introducing atomic disorder. For both PbTe1-xSex and PbSe1-xSx, the impacts in electron and phonon transport compensate each other. Thus, zT in each case was roughly the average of two binary compounds. In p-type Pb1-xSrxSe alloys an improvement of zT from 1.1 to 1.5 at 900 K was achieved, due to the band engineering effect that moves the two valence bands closer in energy. To date, making n-type PbSe better hasn’t been accomplished, but possible strategy is discussed.

Part I: Latent heat of vaporization of n-decane. Part II: Heat and mass transfer from a cylinder placed in a turbulent air stream - Sherwood and Frössling numbers as a function of free stream turbulence level and Reynolds number

Part I

The latent heat of vaporization of n-decane is measured calorimetrically at temperatures between 160° and 340°F. The internal energy change upon vaporization, and the specific volume of the vapor at its dew point are calculated from these data and are included in this work. The measurements are in excellent agreement with available data at 77° and also at 345°F, and are presented in graphical and tabular form.

Part II

Simultaneous material and energy transport from a one-inch adiabatic porous cylinder is studied as a function of free stream Reynolds Number and turbulence level. Experimental data is presented for Reynolds Numbers between 1600 and 15,000 based on the cylinder diameter, and for apparent turbulence levels between 1.3 and 25.0 per cent. n-heptane and n-octane are the evaporating fluids used in this investigation.

Gross Sherwood Numbers are calculated from the data and are in substantial agreement with existing correlations of the results of other workers. The Sherwood Numbers, characterizing mass transfer rates, increase approximately as the 0.55 power of the Reynolds Number. At a free stream Reynolds Number of 3700 the Sherwood Number showed a 40% increase as the apparent turbulence level of the free stream was raised from 1.3 to 25 per cent.

Within the uncertainties involved in the diffusion coefficients used for n-heptane and n-octane, the Sherwood Numbers are comparable for both materials. A dimensionless Frössling Number is computed which characterizes either heat or mass transfer rates for cylinders on a comparable basis. The calculated Frössling Numbers based on mass transfer measurements are in substantial agreement with Frössling Numbers calculated from the data of other workers in heat transfer.

Effects of Lewis number on scalar variance transport in premixed flames

The influences of differential diffusion rates of heat and mass on the transport of the variances of Favre fluctuations of reaction progress variable and non-dimensional temperature have been studied using three-dimensional simplified chemistry based Direct Numerical Simulation (DNS) data of statistically planar turbulent premixed flames with global Lewis number ranging from Le = 0.34 to 1.2. The Lewis number effects on the statistical behaviours of the various terms of the transport equations of variances of Favre fluctuations of reaction progress variable and non-dimensional temperature have been analysed in the context of Reynolds Averaged Navier Stokes (RANS) simulations. It has been found that the turbulent fluxes of the progress variable and temperature variances exhibit counter-gradient transport for the flames with Lewis number significantly smaller than unity whereas the extent of this counter-gradient transport is found to decrease with increasing Lewis number. The Lewis number is also shown to have significant influences on the magnitudes of the chemical reaction and scalar dissipation rate contributions to the scalar variance transport. The modelling of the unclosed terms in the scalar variance equations for the non-unity Lewis number flames have been discussed in detail. The performances of the existing models for the unclosed terms are assessed based on a-priori analysis of DNS data. Based on the present analysis, new models for the unclosed terms of the active scalar variance transport equations are proposed, whenever necessary, which are shown to satisfactorily capture the behaviours of unclosed terms for all the flames considered in this study. © 2010 Springer Science+Business Media B.V.

Effects of preferential transport in turbulent bluff-body-stabilized lean premixed CH 4/air flames

Preferential species diffusion is known to have important effects on local flame structure in turbulent premixed flames, and differential diffusion of heat and mass can have significant effects on both local flame structure and global flame parameters, such as turbulent flame speed. However, models for turbulent premixed combustion normally assume that atomic mass fractions are conserved from reactants to fully burnt products. Experiments reported here indicate that this basic assumption may be incorrect for an important class of turbulent flames. Measurements of major species and temperature in the near field of turbulent, bluff-body stabilized, lean premixed methane-air flames (Le=0.98) reveal significant departures from expected conditional mean compositional structure in the combustion products as well as within the flame. Net increases exceeding 10% in the equivalence ratio and the carbon-to-hydrogen atom ratio are observed across the turbulent flame brush. Corresponding measurements across an unstrained laminar flame at similar equivalence ratio are in close agreement with calculations performed using Chemkin with the GRI 3.0 mechanism and multi-component transport, confirming accuracy of experimental techniques. Results suggest that the large effects observed in the turbulent bluff-body burner are cause by preferential transport of H 2 and H 2O through the preheat zone ahead of CO 2 and CO, followed by convective transport downstream and away from the local flame brush. This preferential transport effect increases with increasing velocity of reactants past the bluff body and is apparently amplified by the presence of a strong recirculation zone where excess CO 2 is accumulated. © 2011 The Combustion Institute.

Subsurface transport behavior of micro-nano bubbles and potential applications for groundwater remediation.

Micro-nano bubbles (MNBs) are tiny bubbles with diameters on the order of micrometers and nanometers, showing great potential in environmental remediation. However, the application is only in the beginning stages and remains to be intensively studied. In order to explore the possible use of MNBs in groundwater contaminant removal, this study focuses on the transport of MNBs in porous media and dissolution processes. The bubble diameter distribution was obtained under different conditions by a laser particle analyzer. The permeability of MNB water through sand was compared with that of air-free water. Moreover, the mass transfer features of dissolved oxygen in water with MNBs were studied. The results show that the bubble diameter distribution is influenced by the surfactant concentration in the water. The existence of MNBs in pore water has no impact on the hydraulic conductivity of sand. Furthermore, the dissolved oxygen (DO) in water is greatly increased by the MNBs, which will predictably improve the aerobic bioremediation of groundwater. The results are meaningful and instructive in the further study of MNB research and applications in groundwater bioremediation.

Investigation of native defects and property of bulk ZnO single crystal grown by a closed chemical vapor transport method

Hall effect, Raman scattering, photoluminescence spectroscopy (PL), optical absorption (OA), mass spectroscopy, and X-ray diffraction have been used to study bulk ZnO single crystal grown by a closed chemical vapor transport method. The results indicate that shallow donor impurities (Ga and Al) are the dominant native defects responsible for n-type conduction of the ZnO single crystal. PL and OA results suggest that the as-grown and annealed ZnO samples with poor lattice perfection exhibit strong deep level green photoluminescence and weak ultraviolet luminescence. The deep level defect in as-grown ZnO is identified to be oxygen vacancy. After high-temperature annealing, the deep level photoluminescence is suppressed in ZnO crystal with good lattice perfection. In contrast, the photoluminescence is nearly unchanged or even enhanced in ZnO crystal with grain boundary or mosaic structure. This result indicates that a trapping effect of the defect exists at the grain boundary in ZnO single crystal. (C) 2007 Elsevier B.V. All rights reserved.

Electronic transport through self-assembled quantum disks

In this paper we study a single electron tunneling through a vertically stacked self-assembled quantum disks structure using a transfer matrix technique in the framework of effective mass approximation. In the disks, the electron is confined both laterally and vertically; we separate the motion in the vertical and lateral directions within the adiabatic approximation and treat the energy levels of the latter as an effective confining potential. The influence of a constant applied electric field is taken into account using an exact Airy-function formalism and the current density is calculated at zero temperature. By increasing the widths of the barriers, we find the peaks of the current density shift toward lower voltage region; meanwhile, they can become even sharper. (C) 2004 Elsevier Ltd. All rights reserved.

Magneto-transport characteristics of two-dimensional electron gas for Si delta-doped InAlAs/InGaAs single quantum well

Magneto-transport measurements have been carried out on a Si heavily delta-doped In0.52Al0.48As/In(0.53)G(0.47)As single quantum well in the temperature range between 1.5 and 60 K under magnetic field up to 10 T. We studied the Shubnikov-de Haas(SdH) effect and the Hall effect for the In0.52Al0.48As/In(0.53)G(0.47)As single quantum well occupied by two subbands, and have obtained the electron concentration, mobility, effective mass and energy levels respectively. The electron concentrations of the two subbands derived from mobility spectrum combined with multi-carrier fitting analysis are well consistent with the result from the SdH oscillation. From fast Fourier transform analysis for d(2)rho/dB(2)-1/B, it is observed that there is a frequency of f(1)-f(2) insensitive to the temperature, besides the frequencies f(1), f(2) for the two subbands and the frequency doubling 2f(1), both dependent on the temperature. This is because That the electrons occupying the two different subbands almost have the same effective mass in the quantum well and the magneto-intersubband scattering between the two subbands is strong.