Implementation of multi-group cross-section methodology in BGCore MC-depletion code

BGCore is a software package for comprehensive computer simulation of nuclear reactor systems and their fuel cycles. The BGCore interfaces Monte Carlo particles transport code MCNP4C with a SARAF module - an independently developed code for calculating in-core fuel composition and spent fuel emissions following discharge. In BGCore system, depletion coupling methodology is based on the multi-group approach that significantly reduces computation time and allows tracking of large number of nuclides during calculations. In this study, burnup calculation capabilities of BGCore system were validated against well established and verified, computer codes for thermal and fast spectrum lattices. Very good agreement in k eigenvalue and nuclide densities prediction was observed for all cases under consideration. In addition, decay heat prediction capabilities of the BGCore system were benchmarked against the most recent edition of ANS Standard methodology for UO2 fuel decay power prediction in LWRs. It was found that the difference between ANS standard data and that predicted by the BGCore does not exceed 5%.

Global civil aviation black carbon emissions.

Aircraft black carbon (BC) emissions contribute to climate forcing, but few estimates of BC emitted by aircraft at cruise exist. For the majority of aircraft engines the only BC-related measurement available is smoke number (SN)-a filter based optical method designed to measure near-ground plume visibility, not mass. While the first order approximation (FOA3) technique has been developed to estimate BC mass emissions normalized by fuel burn [EI(BC)] from SN, it is shown that it underestimates EI(BC) by >90% in 35% of directly measured cases (R(2) = -0.10). As there are no plans to measure BC emissions from all existing certified engines-which will be in service for several decades-it is necessary to estimate EI(BC) for existing aircraft on the ground and at cruise. An alternative method, called FOX, that is independent of the SN is developed to estimate BC emissions. Estimates of EI(BC) at ground level are significantly improved (R(2) = 0.68), whereas estimates at cruise are within 30% of measurements. Implementing this approach for global civil aviation estimated aircraft BC emissions are revised upward by a factor of ~3. Direct radiative forcing (RF) due to aviation BC emissions is estimated to be ~9.5 mW/m(2), equivalent to ~1/3 of the current RF due to aviation CO2 emissions.

Updated correlation between aircraft smoke number and black carbon concentration

Aircraft emissions of black carbon (BC) contribute to anthropogenic climate forcing and degrade air quality. The smoke number (SN) is the current regulatory measure of aircraft particulate matter emissions and quantifies exhaust plume visibility. Several correlations between SN and the exhaust mass concentration of BC (CBC) have been developed, based on measurements relevant to older aircraft engines. These form the basis of the current standard method used to estimate aircraft BC emissions (First Order Approximation version 3 [FOA3]) for the purposes of environmental impact analyses. In this study, BC with a geometric mean diameter (GMD) of 20, 30, and 60 nm and filter diameters of 19 and 35 mm are used to investigate the effect of particle size and sampling variability on SN measurements. For BC with 20 and 30 nm GMD, corresponding to BC emitted by modern aircraft engines, a smaller SN results from a given CBC than is the case for BC with 60 nm GMD, which is more typical of older engines. An updated correlation between CBC and SNthat accounts for typical size of BC emitted by modern aircraft is proposed. An uncertainty of ±25% accounts for variation in GMD in the range 20-30 nm and for the range of filter diameters. The SN-CBC correlation currently used in FOA3 underestimates by a factor of 2.5-3 for SN <15, implying that current estimates of aircraft BC emissions derived from SN are underestimated by the same factor. Copyright © American Association for Aerosol Research.

Hermetically-coated superparamagnetic Fe2O3 particles with SiO2 nanofilms

Magnetic nanoparticles are frequently coated with SiO2to improve their functionality and bio-compatibility in a range of biomedical and polymer nanocomposile applications. In this paper, a scalable flame aerosol technology is used to produce highly dispersible, superparamagnetic iron oxide nanoparticles hermetically coaled with silica to retain full magnetization performance. Iron oxide particles were produced by flame spray pyrolysis (FSP) of iron acelylacetonale in xylene/acetonitrile solutions, and the resulting aerosol was in situ coaled with SiO2 by oxidation of swirling hexamethlydisiloxane vapor. The process allows independent control of the core Fe2O3, particle properties and the thickness of their silica coaling film. This ensures that the non-magnetic SiO2 layer can be closely controlled and minimized. The optimal SiO2 content for complete (hermetic) encapsulation of the magnetic core particles was determined by isopropanol chemisorption. The magnetization of Fe2O3 coated with about 2 nm thin SiO2 layers was nearly identical lo that of uncoated, pure Fe2O3 nanoparlicles.

Hermetically coated superparamagnetic Fe2O3 particles with SiO2 nanofilms

Magnetic nanoparticles are frequently coated with SiO2 to improve their functionality and biocom-patibility in a range of biomedical and polymer nanocomposite applications. In this paper, a scalable flame aerosol technology is used to produce highly dispersible, superparamagnetic iron oxide nanoparticles hermetically coated with silica to retain full magnetization performance. Iron oxide particles were produced by flame spray pyrolysis of iron acetylacetonate in xylene/acetonitrile solutions and the resulting aerosol was in situ coated with silicon dioxide by oxidation of swirling hexamethlydisiloxane vapor. The process allows independent control of the core Fe2O3 (maghemite) particle properties and the thickness of their silica coating film. This ensures that the nonmagnetic SiO2 layer can be closely controlled and minimized. The optimal SiO2 content for complete (hermetic) encapsulation of the magnetic core particles was determined by isopropanol chemisorption. The magnetization of Fe 2O3 coated with about 2 nm thin SiO2 layers was nearly identical to that of uncoated, pure Fe2O3 nanoparticles. © 2009 American Chemical Society.

A condensation particle counter insensitive to volatile particles

A High Temperature Condensation Particle Counter (HT-CPC) is described that operates at an elevated temperature of up to ca. 300. °C such that volatile particles from typical combustion sources are not counted. The HT-CPC is functionally identical to a conventional CPC, the main challenge being to find suitable non-hazardous working fluids, with good stability, and an appropriate vapour pressure. Some key design features are described, and results of modelling which predict the HT-CPC counting efficiency. Experimental results are presented for several candidate fluids when the HT-CPC was challenged with ambient, NaCl and diesel soot particles, and the results show good agreement with modelled predictions, and confirm that counting of particles of diameters down to at least 10. nm was achievable. Possible applications are presented, including measurement of particles from a diesel car engine and comparison with a near PMP system. © 2014 Elsevier Ltd.

Inhibition of progesterone receptor activity in recombinant yeast by soot from fossil fuel combustion emissions and air particulate materials

Numerous environmental pollutants have been detected for estrogenic activity by interacting with the estrogen receptor, but little information is available about their interactions with the progesterone receptor. In this study, emission samples generated by fossil fuel combustion (FFC) and air particulate material (APM) collected from an urban location near a traffic line in a big city of China were evaluated to interact with the human progesterone receptor (hPR) signaling pathway by examining their ability to interact with the activity of hPR expressed in yeast. The results showed that the soot of a petroleum-fired vehicle possessed the most potent anti-progesteronic activity, that of coal-fired stove and diesel fired agrimotor emissions took the second place, and soot samples of coal-fired heating work and electric power station had lesser progesterone inhibition activity. The anti-progesteronic activity of APM was between that of soot from petroleum-fired vehicle and soot from coal-fired establishments and diesel fired agrimotor. Since there was no other large pollution source near the APM sampling sites, the endocrine disrupters were most likely from vehicle emissions, tire attrition and house heating sources. The correlation analysis showed that a strong relationship existed between estrogenic activity and anti-progesteronic activity in emissions of fossil fuel combustion. The discoveries that some environmental pollutants with estrogenic activity can also inhibit OR activity indicate that further studies are required to investigate potential mechanisms for the reported estrogenic activities of these pollutants. (c) 2005 Elsevier B.V. All rights reserved.

Differing estrogen activities in the organic phase of air particulate matter collected during sunny and foggy weather in a Chinese city detected by a recombinant yeast bioassay

Total air suspended particles (PM 100) collected from an urban location near a traffic line in Wuhan, China, were examined for estrogen using a recombinant yeast bioassay. Wuhan, located at the central part of China, is the fourth biggest city in China with 7 million populations. Today, Wuhan has developed into the biggest city and the largest traveling center of central China, becoming one of the important bases of industry, education and research. Wuhan is right at the confluent point of Yangzi River, the third longest river in the world, and its largest distributary Hanjiang, with mountains and more than 100 takes in downtown area. Therefore, by its unique landscape, Wuhan has formed clear four seasons with relatively long winter and summer and short spring and autumn. Foggy weather usually happen in early spring. The yeast line used in this assay stably expresses human estrogen receptor-alpha. Weak but clear estrogenic activities were detected in the organic phase of crude extracts of air particle materials (APM) in both sunny and foggy weather by 0.19-0.79 mug E2/gPM(100) which were statistically significantly elevated relative to the blank control responding from 20% to 50% of the maximum E2 response, and the estrogenic activity was much higher in foggy weather than in sunny weather. The estrogenic activities in the sub-fractions from chromatographic separation of APM sampled in foggy days were also determined. The results indicated that the responses of the fractions were obviously higher than the crude extracts. Since there is no other large pollution source nearby, the estrogenic material was most likely from vehicle emissions, house heating sources and oil fumes of house cooking. The GC/MS analysis of the PM100 collected under foggy weather showed that there were many phenol derivatives, oxy-PAHs and resin acids which have been reported as environmental estrogens. These results of the analysis of estrogenic potency in sunny and foggy weather in a subtropical city of China indicate that further studies are required to investigate the actual risks for the associated health and atmospheric system. (C) 2004 Elsevier Ltd. All rights reserved.

Anomalous Pressure Behavior of N-Cluster Emissions in GaAs0.973Sb0.022N0.005

Photoluminescence of GaAs0.973Sb0.022N0.005 is investigated at different temperatures and pressures. Both the alloy band edge and the N-related emissions, which show different temperature and pressure dependences, are observed. The pressure coefficients obtained in the pressure range 0-1.4GPa for the band edge and N-related emissions are 67 and 45 meV/GPa, respectively. The N-related emissions shift to a higher energy in the lower pressure range and then begin to redshift at about 8.5 GPa. This redshift is possibly caused by the increase of the X-valley component in the N-related states with increasing pressure.

Investigation of phtoluminesecence under hydrostatic pressure in different sized ZnS : Mn nanoparticles

The PL spectra for the 10, 4. 5, 3. 5, 3, 1 nm sized ZnS:Mn2+ nanoparticles and corresponding bulk material under different pressures were investigated. The orange emission band originated from the T-4(1)-(6)A(1) transition of Mn2+ ions showed obvious red shift with the increasing of pressures. The pressure coefficients of Mn-related emissions measured from bulk, 10, 4. 5, 3.5 and 3 nm samples are -29.4 +/- 0.3, -30.1 +/- 0.3, -33.3 +/- 0.6, -34.6 +/- 0.8 and -39 +/- 1 meV/GPa, respectively. The absolute value of the pressure coefficient increases with the decrease of the size of particles. The size dependence of crystal field strength Dq and Racah parameter B accounts for the size behavior of the Mn-related emission in ZnS:Mn nanoparticles. The pressure behavior of Mn-related emission in the 1 nm sized sample is somewhat different from that of other nanoparticles. It may be due to smaller size of 1 nm sample and the special surface condition since ZnS nanoparticles are formed in the cavities of ziolite-Y for the 1 nm sample.

Temperature and pressure dependences of the Mn2+ and donor-acceptor emissions in ZnS : Mn2+ nanoparticles

Temperature and pressure dependent measurements have been performed on 3.5 nm ZnS:Mn2+ nanoparticles. As temperature increases, the donor-acceptor (DA) emission of ZnS:Mn2+ nanoparticles at 440 nm shifts to longer wavelengths while the Mn2+ emission (T-4(1)-(6)A(1)) shifts to shorter wavelengths. Both the DA and Mn2+ emission intensities decrease with temperature with the intensity decrease of the DA emission being much more pronounced. The intensity decreases are fit well with the theory of thermal quenching. As pressure increases, the Mn2+ emission shifts to longer wavelengths while the DA emission wavelength remains almost constant. The pressure coefficient of the DA emission in ZnS:Mn2+ nanoparticles is approximately -3.2 meV/GPa, which is significantly smaller than that measured for bulk materials. The relatively weak pressure dependence of the DA emission is attributed to the increase of the binding energies and the localization of the defect wave functions in nanoparticles. The pressure coefficient of Mn2+ emission in ZnS:Mn2+ nanoparticles is roughly -34.3 meV/GPa, consistent with crystal field theory. The results indicate that the energy transfer from the ZnS host to Mn2+ ions is mainly from the recombination of carriers localized at Mn2+ ions. (C) 2002 American Institute of Physics.

Gasoline-range hydrocarbon synthesis over cobalt-based Fischer-Tropsch catalysts supported onSiO2/HZSM-5

Two types of SiO2 with different mesopore size and HZSM-5 zeolite were used to prepare hybrid supported cobalt-based catalysts. The textual and structural properties of the catalysts were studied using N-2 physisorption, X-ray diffraction (XRD), and H-2 temperature-programmed reduction (TPR) techniques. Fischer-Tropsch synthesis (FTS) performances of the catalysts were carried out in a fixed-bed reactor. The combination effects of the meso- and micropores of the supports as well as the interaction between supports and cobalt particles on FTS activity are discussed. The results indicate that the catalyst supported on the tailor-made SiO2 and HZSM-5 hybrid maintained both meso- and micropore pores during the preparation process without HZSM-5 particles agglomerating. The mesopores provided quick mass transfer channels, while the micropores contributed to high metal dispersion and accelerated hydrocracking/hydroisomerization reaction rate. High CO conversion of 83.9% and selectivity to gasoline-range hydrocarbons (C-5-C-12) of 55%, including more than 10% isoparaffins, were achieved simultaneously on this type of catalyst.