This Phase I SBIR project investigated the economic and technical feasibility of advanced amine scrubbing systems for post-combustion CO2 capture at coal-fired power plants. Numerous combinations of advanced solvent formulations and process configurations were screened for energy requirements, and three cases were selected for detailed analysis: a monoethanolamine (MEA) base case and two “advanced” cases: an MEA/Piperazine (PZ) case, and a methyldiethanolamine (MDEA) / PZ case. The MEA/PZ and MDEA/PZ cases employed an advanced “double matrix” stripper configuration. The basis for calculations was a model plant with a gross capacity of 500 MWe. Results indicated that CO2 capture increased the base cost of electricity from 5 cents/kWh to 10.7 c/kWh for the MEA base case, 10.1 c/kWh for the MEA / PZ double matrix, and 9.7 c/kWh for the MDEA / PZ double matrix. The corresponding cost per metric tonne CO2 avoided was 67.20 $/tonne CO2, 60.19 $/tonne CO2, and 55.05 $/tonne CO2, respectively. Derated capacities, including base plant auxiliary load of 29 MWe, were 339 MWe for the base case, 356 MWe for the MEA/PZ double matrix, and 378 MWe for the MDEA / PZ double matrix. When compared to the base case, systems employing advanced solvent formulations and …

Heats of formation of the lowest triplet state of ethylene and the ground triplet state of ethylidene have been predicted by high level electronic structure calculations. Total atomization energies obtained from coupled-cluster CCSD(T) energies extrapolated to the complete basis set limit using correlation consistent basis sets (CBS), plus additional corrections predict the following heats of formation in kcal/mol: Delta H0f(C2H4,3A1) = 80.1 at 0 K and 78.5 at 298 K, and Delta H0f(CH3CH,3A") = 86.8 at 0 K and 85.1 at 298 K, with an error of less than +-1.0 kcal/mol. The vertical and adiabatic singlet-triplet separation energies of ethylene were calculated as Delta ES-T,vert = 104.1 and Delta ES-T,adia = 65.8 kcal/mol. These results are in excellent agreement with recent quantum Monte Carlo (DMC) values of 103.5 +- 0.3 and 66.4 +- 0.3 kcal/mol. Both sets of computational values differ from the experimental estimate of 58 +- 3 kcal/mol for the adiabatic splitting. The computed singlet-triplet gap at 0 K for acetylene is Delta ES-T,adia(C2H2) = 90.5 kcal/mol, which is in notable disagreement with the experimental value of 82.6 kcal/mol. The heat of formation of the triplet is Delta H0f(C2H2,3B2) = 145.3 kcal/mol. There is a systematic underestimation of …

Understanding the aqueous chemistry of plutonium, in particular in environmental conditions, is often complicated by plutonium's complex redox chemistry. Because plutonium possesses four oxidation states, all of which can coexist in solution, a reliable method for the identification of these oxidation states is needed. The identification of plutonium oxidation states at low levels in aqueous solution is often accomplished through an indirect determination using series of liquid-liquid extraction procedures using oxidation state specific reagents such as HDEHP and TTA. While these methods, coupled with radioactive counting techniques provide superior limits of detection they may influence the plutonium redox equilibrium, are time consuming, waste intensive and costly. Other analytical methods such as mass spectrometry and radioactive counting as stand alone methods provide excellent detection limits but lack the ability to discriminate between the oxidation states of the plutonium ions in solution.

Ground state structures with side-on nitrosyl ({eta}{sup 2}-NO) and isonitrosyl (ON) ligands have been observed in a variety of transition-metal complexes. In contrast, excited state structures with bent-NO ligands have been proposed for years but never directly observed. Here we use picosecond time-resolved infrared spectroscopy and density functional theory (DFT) modeling to study the photochemistry of Co(CO){sub 3}(NO), a model transition-metal-NO compound. Surprisingly, we have observed no evidence for ON and {eta}{sup 2}-NO structural isomers, but have observed two bent-NO complexes. DFT modeling of the ground and excited state potentials indicates that the bent-NO complexes correspond to triplet excited states. Photolysis of Co(CO){sub 3}(NO) with a 400-nm pump pulse leads to population of a manifold of excited states which decay to form an excited state triplet bent-NO complex within 1 ps. This structure relaxes to the ground triplet state in ca. 350 ps to form a second bent-NO structure.

The purpose of this Strategic Plan Report is to provide an introduction and in-depth analysis of the issues and opportunities, resources, and technologies of energy efficiency and renewable energy that have potential beneficial application for the people of the Jicarilla Apache Nation and surrounding communities. The Report seeks to draw on the best available information that existed at the time of writing, and where necessary, draws on new research to assess this potential. This study provides a strategic assessment of opportunities for maximizing the potential for electrical energy efficiency and renewable energy development by the Jicarilla Apache Nation. The report analyzes electricity use on the Jicarilla Apache Reservation in buildings. The report also assesses particular resources and technologies in detail, including energy efficiency, solar, wind, geothermal, biomass, and small hydropower. The closing sections set out the elements of a multi-year, multi-phase strategy for development of resources to the maximum benefit of the Nation.

LLNL has been using the largest transparent laser ceramics for the last two years in the solid-state heat capacity laser (SSHCL). The lab is very interested in extending the use of transparent ceramics to other laser applications. In this talk we will discuss work at the laboratory aimed at better understanding the sintering and the criteria needed for good ceramic transparency, the application of transparent ceramics in the SSHCL laser and possible new applications of tailored ceramics.

The potential use of different iron phosphates as cathodematerials in lithium-ion batteries has recently been investigated.1 Oneof the promising candidates is LiFePO4. This compound has severaladvantages in comparison to the state-of-the-art cathode material incommercial rechargeable lithium batteries. Firstly, it has a hightheoretical capacity (170 mAh/g). Secondly, it occurs as mineraltriphylite in nature and is inexpensive, thermally stable, non-toxic andnon-hygroscopic. However, its low electronic conductivity (~;10-9 S/cm)results in low power capability. There has been intense worldwideresearch activity to find methods to increase the electronic conductivityof LiFePO4, including supervalent ion doping,2 introducingnon-carbonaceous network conduction3 and carbon coating, and theoptimization of the carbon coating on LiFePO4 particle surfaces.4Recently, the Li doped LiFePO4 (Li1+xFe1-xPO4) synthesized at ARL hasyield electronic conductivity increase up to 106.5 We studied electronicstructure of LiFePO4 and Li doped LiFePO4 by synchrotron based soft X-rayemission (XES) and X-ray absorption (XAS) spectroscopies. XAS probes theunoccupied partial density of states, while XES the occupied partialdensity of states. By combining XAS and XES measurements, we obtainedinformation on band gap and orbital character of both LiFePO4 and Lidoped LiFePO4. The occupied and unoccupied oxygen partial density ofstates (DOS) of LiFePO4 and 5 percent Li doped LiFePO4 are presented inFig. 1. Our experimental results clearly indicate …

In phase two of the Dual-Axis Radiographic Hydrodynamic Test facility (DARHT-II), four electron beam pulses of variable pulse length strike an X-ray converter target to produce time-resolved X-ray image. An important requirement for the converter target is to minimize the hydrodynamic expansion of the converter material so that there is enough material to generate the required X-ray dose for all four pulses. Minimizing the hydrodynamic expansion is also important from the standpoint of beam transport. If there is too much expansion of the converter material, the spot-size of the beam will deteriorate due to the charge neutralization of the beam by the target plasma. The beam spot size can also be deteriorated by backstreaming ions. However, this effect can be minimized by placing a barrier foil in front of the target. In this paper, we present a converter target design, based on the simulations using the radiation hydrodynamics code LASNEX and the Monte Carlo radiation transport code MCNP, that can produce the required X-ray dose for all four pulses with tolerable X-ray spot size variation. Our calculations also show that the barrier foil may block the backstreaming ions for all four pulses.

This paper provides new regression models for demand reduction of Demand Response programs for the purpose of ex ante evaluation of the programs and screening for recruiting customer enrollment into the programs. The proposed regression models employ load sensitivity to outside air temperature and representative load pattern derived from cluster analysis of customer baseline load as explanatory variables. The proposed models examined their performances from the viewpoint of validity of explanatory variables and fitness of regressions, using actual load profile data of Pacific Gas and Electric Company's commercial and industrial customers who participated in the 2008 Critical Peak Pricing program including Manual and Automated Demand Response.

Sorbent and functionalized polymers play a key role in a diverse set of fields, including chemical sensors, separation membranes, solid phase extraction techniques, and chromatography. Sorbent polymers are critical to a number of sensor array or "electronic nose" systems. The responses of the sensors in the array give rise to patterns that can be used to distinguish one compound from another, provided that a sufficiently diverse set of sensing materials is present in the array. Figure 1 illustrates the concept of several sensors, each with a different sensor coating, giving rise to variable responses to an analyte that appear as a pattern in bar graph format. Using hydrosilylation as the bond-forming reaction, we have developed a versatile and efficient approach to developing sorbent polymers with diverse interactive properties for sensor applications. Both the chemical and physical properties of these polymers are predictable and tunable by design.

We introduce a new thermodynamic theory for detonation products that includes polar and ionic species. The new formalism extends the domain of validity of the previously developed EXP6 equation of state library and opens the possibility of new applications. We illustrate the scope of the new approach on PETN detonation properties and water ionization models.

Both point- and finite-source stochastic one-dimensional ground motion models, coupled to vertically propagating equivalent-linear shear-wave site response models are validated using an extensive set of strong motion data as part of the Yucca Mountain Project. The validation and comparison exercises are presented entirely in terms of 5% damped pseudo absolute response spectra. The study consists of a quantitative analyses involving modeling nineteen well-recorded earthquakes, M 5.6 to 7.4 at over 600 sites. The sites range in distance from about 1 to about 200 km in the western US (460 km for central-eastern US). In general, this validation demonstrates that the stochastic point- and finite-source models produce accurate predictions of strong ground motions over the range of 0 to 100 km and for magnitudes M 5.0 to 7.4. The stochastic finite-source model appears to be broadband, producing near zero bias from about 0.3 Hz (low frequency limit of the analyses) to the high frequency limit of the data (100 and 25 Hz for response and Fourier amplitude spectra, respectively).

The authors present an inclusive measurement of {Delta}{alpha}{sub had}{sup (5)}(m{sub Z}{sup 2}) at BABAR using the Initial State Radiation (ISR) technique in e{sup +}e{sup -} interactions to simultaneously explore the whole low energy range at reduced center-of-mass energies below 7 GeV, where the current knowledge of e{sup +}e{sup -} {yields} hadrons production limits the precision of the prediction of the running of {alpha}. The BABAR ISR data sample is considerably larger than existing e{sup +}e{sup -} R scan measurement data over most of the low energy range, and there are also many systematic advantages with the ISR technique to allow significantly improved precision on the integral for {Delta}{alpha}{sub had}{sup (5)}(m{sub Z}{sup 2}). This thesis reports on a measurement of {Delta}{alpha}{sub had}{sup (5)}(m{sub Z}{sup 2}) at the 3% precision level, improving on the current knowledge of this quantity.

We have calculated spectra of stable secondary particles ({gamma}, e{sup {+-}}, {nu}{sub e}, {bar {nu}}{sub e}, {nu}{sub {mu}}{bar {nu}}{sub {mu}}) produced in high energy p-p interactions in astrophysical environment. The calculation has incorporated the up-to-date rising inelastic cross-sections, the diffraction dissociation process, and the Feynman scaling violation for the first time. We then found that the diffractive process makes secondary particle spectra harder than that of the incident proton; that the rising inelastic cross-section and the scaling violation produces significantly more secondary particles than previous calculations. Combination of the three features explain about a half of the ''GeV Excess'' in the EGRET Galactic diffuse {gamma}-ray spectrum with the local cosmic proton spectrum (power-law index around 2.7). The excess can be fully explained if the proton spectral index in the Galactic ridge is harder by 0.2 than above. As an extension of the calculation, we have parameterized the inclusive secondary particle spectra as functions of the incident proton kinetic energy: we predict {approx} 30% more e{sup +} and {nu}{sub e} than e{sup -} and {bar {nu}}{sub e} to be produced in the GeV range by p-p interactions.

None

Shipping of materials between different locations requires methods for confirming that the correct quantities and materials are shipped and received intact. The quickest method for confirming the correct quantity of material is to weigh the material on a balance. In order for the shipper's and receiver's balances to agree, the balances must use a traceable method of periodic calibration. Once calibrated, the balances must be rechecked periodically with accepted standards to confirm that the balances remain within the allowable tolerances. This letter affirms that the balances used for weighing 3013 containers and 9975 shipping packages are staying within allowable accepted tolerances and that there is no discernable ''drift'' in the weighings that might indicate future trouble with the balance.

The authors present measurements of the branching fractions for B{sup 0} meson decays to {eta}{prime}K{sup 0} and {omega}K{sup 0}, and of the branching fractions and CP-violation charge asymmetries for B{sup +} meson decays to {eta}{pi}{sup +}, {eta}K{sup +}, {eta}{prime}{pi}{sup +}, {eta}{prime}K{sup +}, {omega}{pi}{sup +}, and {omega}K{sup +}. The data, collected with the BABAR detector at the Stanford Linear Accelerator Center, represent 383 million B{bar B} pairs produced in e{sup +}e{sup -} annihilation. The measurements agree with previous results; they find no evidence for direct CP violation.

The purpose of this calculation is to provide a bounding estimate of how thermal-hydrological-mechanical (THM) behavior of rock in the region surrounding an emplacement drift in a Monitored Geologic Repository subsurface facility may affect the permeability of fractures in the rock mass forming the region. The bounding estimate will provide essential input to performance assessment analysis of the potential repository system. This calculation also supports the Near Field Environment Process Model Report (NFE PMR) and will contribute to Site Recommendation. The geologic unit being considered as a potential repository horizon at Yucca Mountain, Nevada lies within a fractured, densely welded ash-flow tuff located in the Topopah Spring Tuff member of the Paintbrush Group. Fractures form the primary conduits for fluid flow in the rock mass. Considerable analysis has been performed to characterize the thermal-hydrologic (TH) behavior of this rock unit (e.g., CRWMS M&O 2000a, pp. 83-87), and recently the dual permeability model (DKM) has proved to be an effective tool for predicting TH behavior (CRWMS M&O 2000a). The DKM uses fracture permeability as a primary input parameter, and it is well known that fracture permeability is strongly dependent on fracture deformation (Brown. 1995). Consequently, one major unknown is how deformation …

Recent electron beam driven plasma wakefield accelerator experiments carried out at SLAC showed trapping of plasma electrons. These trapped electrons appeared on an energy spectrometer with smaller transverse size than the beam driving the wake. A connection is made between transverse size and emittance; due to the spectrometer's resolution, this connection allows for placing an upper limit on the trapped electron emittance. The upper limit for the lowest normalized emittance measured in the experiment is 1 mm {center_dot} mrad.

Taking advantage of the neutron source of the LANCSE, it has been possible to obtain a measure of the velocity distribution and the number of prompt-neutrons emitted in the neutron-induced fission of {sup 238}U and {sup 237}Np over a broad incident neutron energy range. The mean kinetic energy was extracted and is shown as the function of the incident-neutron energy. We confirm here the observation, for both reactions, of a dip around the second chance fission which is explained by the lower kinetic energy of the pre-fission neutrons. Such a observation is reproduced by Los Alamos model as implemented at Bruyeres le Chatel and by the Maslov model. As far as the neutron multiplicity is concerned, a similar dip is observed. However, such a behavior is not present in data measured by other groups.

The following describes the objectives of Project Activity 023 “Second Generation Waste Package Design Study” under DOE Cooperative Agreement DE-FC28-04RW12232. The objectives of this activity are: to review the current YMP baseline environment and establish corrosion testenvironments representative of the range of dry to intermittently wet conditions expected in the drifts as a function of time; to demonstrate the oxidation and corrosion resistance of A588 weathering steel and reference Alloy 22 samples in the representative dry to intermittently dry conditions; and to evaluate backfill and design features to improve the thermal performance analyses of the proposed second-generation waste packages using existing models developed at the University of Nevada, Reno(UNR). The work plan for this project activity consists of three major tasks: Task 1. Definition of expected worst-case environments (humidity, liquid composition and temperature) at waste package outer surfaces as a function of time, and comparison with environments defined in the YMP baseline; Task 2. Oxidation and corrosion tests of proposed second-generation outer container material; and Task 3. Second Generation waste package thermal analyses. Full funding was not provided for this project activity.

Sequence changes in regulatory regions have often beeninvoked to explain phenotypic divergence among species, but molecularexamples of this have been difficult to obtain. In this study, weidentified an anthropoid primate specific sequence element thatcontributed to the regulatory evolution of the LDL receptor. Using acombination of close and distant species genomic sequence comparisonscoupled with in vivo and in vitro studies, we show that a functionalcholesterol-sensing sequence motif arose and was fixed within apre-existing enhancer in the common ancestor of anthropoid primates. Ourstudy demonstrates one molecular mechanism by which ancestral mammalianregulatory elements can evolve to perform new functions in the primatelineage leading to human.

The primary objective of the project was the development of in vivo methods for the detection and evaluation of tumors in humans. The project was focused on utilizing positron emission tomography (PET) to monitor the distribution and pharamacokinetics of a current boron neutron capture therapy (BNCT) agent, p-boronophenylalanine (BPA) by labeling it with a fluorine-18, a positron emitting isotope. The PET data was then used to develop enhanced treatment planning protocols. The study also involved the synthesis of new tumor selective BNCTagents that could be labeled with radioactive nuclides for the in vivo detection of boron.

Radionuclides, metals, and dense non-aqueous phase liquids have contaminated about six billion cubic meters of soil at Department of Energy (DOE) sites. The subsurface transport of many of these contaminants is facilitated by colloids (i.e., microscopic, waterborne particles). The first step in the transport of contaminants from their sources to off-site surface water and groundwater is migration through the vadose zone. Developing our understanding of the migration of colloids and colloid-associated contaminants through the vadose zone is critical to assessing and controlling the release of contaminants from DOE sites. In this study, we examined the mobilization, transport, and filtration (retention) of mineral colloids and colloid-associated radionuclides within unsaturated porous media. This investigation involved laboratory column experiments designed to identify properties that affect colloid mobilization and retention and pore-scale visualization experiments designed to elucidate mechanisms that govern these colloid-mass transfer processes. The experiments on colloid mobilization and retention were supplemented with experiments on radionuclide transport through porous media and on radionuclide adsorption to mineral colloids. Observations from all of these experiments – the column and visualization experiments with colloids and the experiments with radionuclides – were used to guide the development of mathematical models appropriate for describing colloids and colloid-facilitated radionuclide …