Electric-Field Gradient at Cd Impurities in In2o3. A FLAPW Study

We report an ab initio study of the electric-field gradient tensor (EFG) at Cd impurities located at both inequivalent cationic sites in the semiconductor In2O3. Calculations were performed with the FLAPW method, that allows us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host lattice in a fully self-consistent way. From our results for the EFG (in excellent agreement with the experiments), it is clear that the problem of the EFG at impurities in In2O3 cannot be described by the point-charge model and antishielding factors.Comment: 4 pages, 2 figures, and 2 table

The Simulation and Assimilation of Doppler Wind Lidar Observations in Support of Future Instruments

With the launch of the European Space Agency's Atmospheric Dynamics Mission (ADM-Aeolus) in 2011 and the call for the 3D-Winds mission in National Research Council's decadal survey, direct spaceborne measurements of vertical wind profiles are imminent via Doppler wind lidar technology. Part of the preparedness for such missions is the development of the proper data assimilation methodology for handling such observations. Since no heritage measurements exist in space, the Joint Observing System Simulation Experiment (Joint OSSE) framework is being utilized to generate a realistic proxy dataset as a precursor to flight. These data are being used for the development of the Gridpoint Statistical Interpolation (GSI) data assimilation system utilized at a number of centers through the United States including the Global Modeling and Assimilation Office (GMAO) at NASA/Goddard Space Flight Center and at the National Centers for Environmental Prediction (NOAA/NWS/NCEP). This effort will be presented, including the methodology of proxy data generation, the handling of line-of-sight wind measurements within the GSI, and the impact on both analyses and forecasts with the addition of the new data type

Solvent recovery system for a CO2-MEA reactive absorption-stripping plant

The solvent recovery section from the exhaust gas represents an important auxiliary part for an industrial CO2 post-combustion capture plant by the reactive absorption-stripping process. In this work, a partial condenser and a water-wash section configuration were designed to reach 1 ppm of solvent in the exhaust gas, and compared using the Total Annual Cost (TAC) as economic index. Both the configurations ensured the required recovery performance. The results highlighted that the partial condenser alternative is more convenient in terms of capital annualized costs and water make-up, but at the same time it is strongly penalized by the high operating costs for the cooling water. Therefore, the configuration in which the absorber is equipped with the water-wash section resulted the option with the minimum TAC

Performance and Evaluation of the Global Modeling and Assimilation Office Observing System Simulation Experiment

The National Aeronautics and Space Administration Global Modeling and Assimilation Office (NASA/GMAO) has spent more than a decade developing and implementing a global Observing System Simulation Experiment framework for use in evaluting both new observation types as well as the behavior of data assimilation systems. The NASA/GMAO OSSE has constantly evolved to relect changes in the Gridpoint Statistical Interpolation data assimiation system, the Global Earth Observing System model, version 5 (GEOS-5), and the real world observational network. Software and observational datasets for the GMAO OSSE are publicly available, along with a technical report. Substantial modifications have recently been made to the NASA/GMAO OSSE framework, including the character of synthetic observation errors, new instrument types, and more sophisticated atmospheric wind vectors. These improvements will be described, along with the overall performance of the current OSSE. Lessons learned from investigations into correlated errors and model error will be discussed

Simulation of AMVs for OSSEs

An algorithm to simulate locations of atmospheric motion vectors (AMVs) for use in observing system simulation experiments (OSSEs) is described and demonstrated. It is intended to obviate likely deficiencies in nature run data [standard meteorological parameters and aerosol tracers] if used to produce images for feature tracking. The algorithm employs probabilistic functions that are tuned based on distributions of real observations and histograms of nature run fields. For distinct observation types, the algorithm produces geographical and vertical distributions, time - mean counts, and typical spacings of simulated locations that are, at least, qualitatively similar to those of real observations and are associated with nature run cloud and water vapor fields. It thus appears suitable for generating realistic atmospheric motion vectors for use in observing system simulation experiments

Brewer's Spent Grain to Bioethanol through a Hybrid Saccharification and Fermentation Process

Brewer's spent grain, without being pre-treated, has been investigated for bioethanol production through a Hybrid Saccharification and Fermentation (HSF) process with high solid loading. HSF experiments were performed in a 2 L bioreactor where Cellic ® CTec2 was used to perform the enzymatic hydrolysis, and Saccharomyces Cerevisiae was used for the fermentation. The reaction environment was first set to favour saccharification. Then, after 26 h, the reactor was inoculated with the yeast. The results evidenced the presence of glucose, xylose, and arabinose after the conversion of cellulose and hemicellulose and a rapid depletion of glucose after adding the yeast. The pentoses were also consumed, but with a much slower reaction rate. Almost four hours after adding the yeast, the amount of ethanol had reached a maximum and then began to decrease as microorganisms began to use ethanol as a substrate after glucose depletion. The obtained ethanol yield, evaluated with respect to the theoretical value, was equal to 72%

The Influence of Observation Errors on Analysis Error and Forecast Skill Investigated with an Observing System Simulation Experiment

The Global Modeling and Assimilation Office (GMAO) observing system simulation experiment (OSSE) framework is used to explore the response of analysis error and forecast skill to observation quality. In an OSSE, synthetic observations may be created that have much smaller error than real observations, and precisely quantified error may be applied to these synthetic observations. Three experiments are performed in which synthetic observations with magnitudes of applied observation error that vary from zero to twice the estimated realistic error are ingested into the Goddard Earth Observing System Model (GEOS-5) with Gridpoint Statistical Interpolation (GSI) data assimilation for a one-month period representing July. The analysis increment and observation innovation are strongly impacted by observation error, with much larger variances for increased observation error. The analysis quality is degraded by increased observation error, but the change in root-mean-square error of the analysis state is small relative to the total analysis error. Surprisingly, in the 120 hour forecast increased observation error only yields a slight decline in forecast skill in the extratropics, and no discernable degradation of forecast skill in the tropics

Cold affects the transcription of fatty acid desaturases and oil quality in the fruit of Olea europaea L. genotypes with different cold hardiness

The olive tree lacks dormancy and is low temperature sensitive, with differences in cold tolerance and oil quality among genotypes. The oil is produced in the drupe, and the unsaturated fatty acids contribute to its quality. The aim of the present research was to investigate the relationship among development, cold response, expression of fatty acid desaturase (FAD) genes, and unsaturated fatty acid composition in drupes belonging to genotypes differing in leaf cold tolerance, but producing good oil (i.e. the non-hardy Moraiolo, the semi-hardy Frantoio, and the hardy Canino). In all genotypes, cold sensitivity, evaluated by cold-induced transient increases in cytosolic calcium, was high in the epi-mesocarp cells before oil body formation, and decreased during oil biogenesis. However, genotype-dependent differences in cold sensitivity appeared at the end of oil production. Genotype-dependent differences in FAD2.1, FAD2.2, FAD6, and FAD7 expression levels occurred in the epi-mesocarp cells during the oleogenic period. However, FAD2.1 and FAD7 were always the highest in the first part of this period. FAD2.2 and FAD7 increased after cold applications during oleogenesis, independently of the genotype. Unsaturated fatty acids increased in the drupes of the non-hardy genotype, but not in those of the hardy one, after cold exposure at the time of the highest FAD transcription. The results show a direct relationship between FAD expression and lipid desaturation in the drupes of the cold-sensitive genotype, and an inverse relationship in those of the cold-resistant genotype, suggesting that drupe cold acclimation requires a fine FAD post-transcriptional regulation. Hypotheses relating FAD desaturation to storage and membrane lipids, and genotype cold hardiness are discussed

Optimization and kinetic analysis of untreated brewers’ spent grain saccharification process via enzymatic hydrolysis

The enzymatic hydrolysis of dried brewers' spent grain without being pretreated was investigated in this work. The enzymatic hydrolysis experiments were carried out using Cellic (R) CTec2 as enzymatic complex and the glucose yield was optimized with respect to temperature, solid loading and enzyme loading. The optimization of enzymatic hydrolysis obtained through the response surface methodology was validated experimentally resulting in a glucose yield of 11.71 +/- 0.09 g(glucose) g(DM)(-1) at 48.6.C, 6.7 % w/w biomass loading, and 0.22 mL g(DM)(-1) as enzyme concentration. The glucose yield obtained corresponds to 44 % of the theoretical one. The temporal profile of glucose concentration was modeled by using the Chrastil's model, and by a modified version of its classical formulation. The models were compared with respect to the fit goodness and precision of parameter estimation. Even if both models were able to properly describe the transient behavior, the proposed modified Chrastil's model provided a more precise parameter estimation compared to the classical one

The problem of a metal impurity in an oxide: ab-initio study of electronic and structural properties of Cd in Rutile TiO2

In this work we undertake the problem of a transition metal impurity in an oxide. We present an ab-initio study of the relaxations introduced in TiO2 when a Cd impurity replaces substitutionally a Ti atom. Using the Full-Potential Linearized-Augmented-Plane-Wave method we obtain relaxed structures for different charge states of the impurity and computed the electric-field gradients (EFGs) at the Cd site. We find that EFGs, and also relaxations, are dependent on the charge state of the impurity. This dependence is very remarkable in the case of the EFG and is explained analyzing the electronic structure of the studied system. We predict fairly anisotropic relaxations for the nearest oxygen neighbors of the Cd impurity. The experimental confirmation of this prediction and a brief report of these calculations have recently been presented [P.R.L. 89, 55503 (2002)]. Our results for relaxations and EFGs are in clear contradiction with previous studies of this system that assumed isotropic relaxations and point out that no simple model is viable to describe relaxations and the EFG at Cd in TiO2 even approximately.Comment: 11 pages, 8 figures, Revtex 4, published in Physical Review