The following is the final report of the three year research program to convert organic acids to their ethyl esters using reactive distillation. This report details the complete technical activities of research completed at Michigan State University for the period of October 1, 2003 to September 30, 2006, covering both reactive distillation research and development and the underlying thermodynamic and kinetic data required for successful and rigorous design of reactive distillation esterification processes. Specifically, this project has led to the development of economical, technically viable processes for ethyl lactate, triethyl citrate and diethyl succinate production, and on a larger scale has added to the overall body of knowledge on applying fermentation based organic acids as platform chemicals in the emerging biorefinery. Organic acid esters constitute an attractive class of biorenewable chemicals that are made from corn or other renewable biomass carbohydrate feedstocks and replace analogous petroleum-based compounds, thus lessening U.S. dependence on foreign petroleum and enhancing overall biorefinery viability through production of value-added chemicals in parallel with biofuels production. Further, many of these ester products are candidates for fuel (particularly biodiesel) components, and thus will serve dual roles as both industrial chemicals and fuel enhancers in the emerging bioeconomy. The …

Silica membranes were prepared using a novel technique of catalyzed-atomic layer deposition of silica within a mesoporous matrix. Pyridine was used to catalyze the silicon chloride attachment to the hydroxylated silica surface at room temperature. This half-reaction was followed by the hydration of the surface with water regenerating surface hydroxyls and completing one reaction cycle. The technique resulted in the self-limited pore size reduction of the mesoporous matrix to pore sizes near 1 nm. The self-limited reaction was presumed to be the exclusion of the large catalyst molecule from the pore entrance. In addition to pore size reduction, viscous flow defects were repaired without significantly reducing overall porosity of the membrane. In addition, we investigated the ability of amine-functionalization to enhance the CO{sub 2} transport in silica membranes. Specifically, we examined three synthesis techniques for functionalizing silica membranes with amino groups that resulted in different surface chemistries of the silica membranes. These differences were correlated with changes in the CO{sub 2} facilitation characteristics. It was found that high loadings of amino groups where interaction with the silica surface was minimized promoted the highest CO{sub 2} transport.

The objective of this task was to develop glass formulations for (Department of Energy) DOE waste streams with high aluminum concentrations to avoid nepheline formation while maintaining or meeting waste loading and/or waste throughput expectations as well as satisfying critical process and product performance related constraints. Liquidus temperatures and crystallization behavior were carefully characterized to support model development for higher waste loading glasses. The experimental work, characterization, and data interpretation necessary to meet these objectives were performed among three partnering laboratories: the V.G. Khlopin Radium Institute (KRI), Pacific Northwest National Laboratory (PNNL) and Savannah River National Laboratory (SRNL). Projected glass compositional regions that bound anticipated Defense Waste Processing Facility (DWPF) and Hanford high level waste (HLW) glass regions of interest were developed and used to generate glass compositions of interest for meeting the objectives of this study. A thorough statistical analysis was employed to allow for a wide range of waste glass compositions to be examined while minimizing the number of glasses that had to be fabricated and characterized in the laboratory. The glass compositions were divided into two sets, with 45 in the test matrix investigated by the U.S. laboratories and 30 in the test matrix investigated by KRI. …

Since the inception of this research program, the project has focused on two central questions: What is the relationship between the 'eukaryal-like' transcription machinery of archaeal cells and its counterparts in eukaryal cells? And, how does the archaeal cell control gene expression using its mosaic of eukaryal core transcription machinery and its bacterial-like transcription regulatory proteins? During the grant period we have addressed these questions using a variety of in vivo approaches and have sought to specifically define the roles of the multiple TATA binding protein (TBP) and TFIIB-like (TFB) proteins in controlling gene expression in Haloferax volcanii. H. volcanii was initially chosen as a model for the Archaea based on the availability of suitable genetic tools; however, later studies showed that all haloarchaea possessed multiple tbp and tfb genes, which led to the proposal that multiple TBP and TFB proteins may function in a manner similar to alternative sigma factors in bacterial cells. In vivo transcription and promoter analysis established a clear relationship between the promoter requirements of haloarchaeal genes and those of the eukaryal RNA polymerase II promoter. Studies on heat shock gene promoters, and the demonstration that specific tfb genes were induced by heat shock, provided the …

Controlling laser-molecule interactions has become an integral part of developing devices and applications in spectroscopy, microscopy, optical switching, micromachining and photochemistry. Coherent control of multiphoton transitions could bring a significant improvement of these methods. In microscopy, multi-photon transitions are used to activate different contrast agents and suppress background fluorescence; coherent control could generate selective probe excitation. In photochemistry, different dissociative states are accessed through two, three, or more photon transitions; coherent control could be used to select the reaction pathway and therefore the yield-specific products. For micromachining and processing a wide variety of materials, femtosecond lasers are now used routinely. Understanding the interactions between the intense femtosecond pulse and the material could lead to technologically important advances. Pulse shaping could then be used to optimize the desired outcome. The scope of our research program is to develop robust and efficient strategies to control nonlinear laser-matter interactions using ultrashort shaped pulses in gas and condensed phases. Our systematic research has led to significant developments in a number of areas relevant to the AMO Physics group at DOE, among them: generation of ultrashort phase shaped pulses, coherent control and manipulation of quantum mechanical states in gas and condensed phases, behavior of isolated …

The authors present the results of the search for the decays B{sup 0/{+-}} {yields} {rho}{sup 0/{+-}}{gamma} (previously observed) and B{sup 0} {yields} {omega}{gamma} (for which currently only an upper limit exists). Together with B {yields} K*{gamma} decays, B {yields} ({rho}/{omega}){gamma} allow us to measure the ratio of CKM-matrix elements |V{sub td}/V{sub ts}|. The analysis is based on the full BABAR dataset of 424.35 fb{sup -1} corresponding to 465 million B{bar B} pairs, and makes heavy use of multivariate classification techniques based on decision trees. They find {Beta}(B{sup {+-}} {yields} {rho}{sup {+-}}{gamma}) = (1.20{sub -0.38}{sup +0.42} {+-} 0.20) x 10{sup -6}, {Beta}(B{sup 0} {yields} {rho}{sup 0}{gamma}) = (0.95{sub -0.21}{sup +0.23} {+-} 0.06) x 10{sup -6}, {Beta}(B{sup 0} {yields} {omega}{gamma}) = (0.51{sub -0.24}{sup +0.27} {+-} 0.10) x 10{sup -6}, where the first error is statistical and the second is systematic. They do not observe a statistically significant signal in the latter channel and set an upper limit at {Beta}(B{sup 0} {yields} {omega}{gamma}) < 0.9 x 10{sup -6} (90% C.L.). They also measure the isospin and SU(3){sub F} violating quantities {Lambda}(B{sup +} {yields} {rho}{sup +}{gamma})/2{Lambda}(B{sup 0} {yields} {rho}{sup 0}{gamma})-1 = -0.43{sub -0.22}{sup +0.25} {+-} 0.10 and {Lambda}(B{sup 0} {yields} {omega}{gamma})/{Lambda}(B{sup 0} {yields} {rho}{sup …

The objective of the research was to perform a comprehensive computational analysis of the effects of material and process modeling approaches on performance of UltraLight Steel Auto Body (ULSAB) vehicle models. The research addressed numerous material related effects, impact conditions as well as analyzed the performance of the ULSAB vehicles in crashes against designs representing the current US vehicle fleet. This report is organized into three main sections. The first section describes the results of the computational analysis of ULSAB crash simulations that were performed using advanced material modeling techniques. The effects of strain-rate sensitivity on a high strength steel (HSS) intensive vehicle were analyzed. Frontal and frontal offset crash scenarios were used in a finite element parametric study of the ULSAB body structure. Comparisons are made between the crash results using the piece-wise-linear isotropic plasticity strain-rate dependent material model, and the isotropic plasticity material model based on quasi-static properties. The simulation results show the importance of advanced material modeling techniques for vehicle crash simulations due to strain-rate sensitivity and rapid hardening characteristics of advanced high strength steels. Material substitution was investigated for the main frontal crush structure using the material of similar yield stress a significantly different strain-rate and …

This document provides the stratigraphic framework and six hydrogeologic cross sections and interpretations for the solid-waste Low Level Burial Grounds on the Hanford Site. Four of the new cross sections are located in the 200 West Area while the other two are located within the 200 East Area. The cross sections display sediments of the vadose zone and uppermost unconfined aquifer.

Low-k dielectric materials are becoming increasingly interesting as alternative to SiO2 with device geometries shrinking beyond the 65 nm technology node. At elevated temperatures hydrogen migration becomes an important degradation mechanism for conductivity breakdown in semiconductor devices. The possibility of hydrogen release during the fabrication process is, therefore, of great interest in the understanding of device reliability. In this study, various low-k dielectric films were subjected to thermal annealing at temperatures that are generally used for device fabrication. Elastic recoil detection analysis (ERDA) was used to investigate compositional changes and hydrogen redistribution in thin films of plasma-enhanced tetraethylortho-silicate (PETEOS), phosphorus doped silicon glass (PSG), silicon nitride (SiN) and silicon oxynitride (SiON). Except for an initial hydrogen release from the surface region in films of PETEOS and PSG, the results indicate that the elemental composition of the films was stable for at least 2 hours at 450◦C.

The 100-F-44:4, Discovery Pipeline in Silica Gel Pit subsite is located in the 100-FR-1 Operable Unit of the Hanford Site, near the location of the former 110-F Gas Storage Tanks structure. The 100-F-44:4 subsite is a steel pipe discovered October 17, 2004, during trenching to locate the 118-F-4 Silica Gel Pit. Based on visual inspection and confirmatory investigation sampling data, the 100-F-44:4 subsite is a piece of non-hazardous electrical conduit debris. The 100-F-44:4 subsite supports unrestricted future use of shallow zone soil and is protective of groundwater and the Columbia River. No residual contamination exists within the deep zone. Therefore, no deep zone institutional controls are required.

Three non-road Tier II emissions compliant diesel engines manufactured by John Deere were placed on a durability test plan of 2000 hours each at full load, rated speed (FLRS). The fuel was a blend of 10% fuel ethanol and 90% low sulfur #2 diesel fuel. Seven operational failures involving twenty seven fuel system components occurred prior to completion of the intended test plan. Regulated emissions measured prior to component failure indicated compliance to Tier II certification goals for the observed test experience. The program plan included operating three non-road Tier II diesel engines for 2000 hours each monitoring the regulated emissions at 500 hour intervals for changes/deterioration. The program was stopped prematurely due to number and frequency of injection system failures. The failures and weaknesses observed involved injector seat and valve wear, control solenoid material incompatibility, injector valve deposits and injector high pressure seal cavitation erosion. Future work should target an E diesel fuel standard that emphasizes minimum water content, stability, lubricity, cetane neutrality and oxidation resistance. Standards for fuel ethanol need to require water content no greater than the base diesel fuel standard. Lubricity bench test standards may need new development for E diesel.

The Kapchinskij-Vladimirskij equations are widely used to study the evolution of the beam envelopes in a periodic system of quadrupole focusing cells. In this paper, we analyze the case of a matched beam. Our model is analogous to that used by Courant and Snyder [E.D. Courant and H.S. Snyder, Ann. Phys. 3, 1 (1958)]in obtaining a first-order approximate solution for a synchrotron. Here, we treat a linear machine and obtain an exact solution. The model uses a full occupancy, piecewise-constant focusing function and neglects space charge. There are solutions in an infinite number of bands as the focus strength is increased. We show that all these bands are stable. Our explicit results for the phase advance sigma and the envelope a(z) are exact for all phase advances except multiples of 180o, where the behavior is singular. We find that the peak envelope size is minimized at sigma = 90o. Actual operation in the higher bands would require very large, very accurate field strengths and would produce significantly larger envelope excursions.

High-level waste (HLW) throughput (i.e., the amount of waste processed per unit time) is a function of two critical parameters: waste loading (WL) and melt rate. For the Waste Treatment and Immobilization Plant (WTP) at the Hanford Site and the Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS), increasing HLW throughput would significantly reduce the overall mission life cycle costs for the Department of Energy (DOE). It has been proposed that a team of glass formulation and processing experts at the Pacific Northwest National Laboratory (PNNL), Savannah River National Laboratory (SRNL), and Vitreous State Laboratory (VSL) at Catholic University of America develop a systematic approach to increase HLW throughput (by increasing WL with minimal or positive impacts on melt rate). Programmatically, this task is aimed at proof-of-principle testing and the development of tools to improve waste loading and melt rate, which will lead to higher waste throughput. The following four specific tasks have been proposed to meet this programmatic objective: (1) Integration and Oversight, (2) Crystal Accumulation Modeling (led by PNNL)/Higher Waste Loading Glasses (led by SRNL), (3) Melt Rate Evaluation and Modeling, and (4) Melter Scale Demonstrations. The details of these tasks can be found in …

The ATLAS experiment is a multi-purpose particle detector that will study high-energy particle collisions produced by the Large Hadron Collider. For the reconstruction of charged particles, and their production and their decay vertices, ATLAS is equipped with a sophisticated tracking system, unprecedented in size and complexity. Full exploitation of both the Inner Detector and the muon spectrometer requires an accurate alignment. The challenge of aligning the ATLAS tracking devices is discussed, and the ATLAS alignment strategy is presented and illustrated with both data and Monte Carlo results.

This report provides technical documentation for values in the Table of Initial Isolation and Protective Action Distances (PADs) in the 2004 Emergency Response Guidebook (ERG2004). The objective for choosing the PADs specified in the ERG2004 is to balance the need to adequately protect the public from exposure to potentially harmful substances against the risks and expenses that could result from overreacting to a spill. To quantify this balance, a statistical approach is adopted, whereby the best available information is used to conduct an accident scenario analysis and develop a set of up to 1,000,000 hypothetical incidents. The set accounts for differences in containers types, incident types, accident severity (i.e., amounts released), locations, times of day, times of year, and meteorological conditions. Each scenario is analyzed using detailed emission rate and atmospheric dispersion models to calculate the downwind chemical concentrations from which a 'safe distance' is determined. The safe distance is defined as the distance downwind from the source at which the chemical concentration falls below health protection criteria. The American Industrial Hygiene Association's Emergency Response Planning Guideline Level 2 (ERPG-2) or equivalent is the health criteria used. The statistical sample of safe distance values for all incidents considered in the …

The wave-particle α-channeling effect is generalized to include rotating plasma. Specifically, radio frequency waves can resonate with α particles in a mirror machine with E × B rotation to diffuse the α particles along constrained paths in phase space. Of major interest is that the α-particle energy, in addition to amplifying the RF waves, can directly enhance the rotation energy which in turn provides additional plasma confinement in centrifugal fusion reactors. An ancillary benefit is the rapid removal of alpha particles, which increases the fusion reactivity.

Pursuant to Sections 106 and 110 of the National Historic Preservation Act Argonne National Laboratory-East (ANL-E) has completed an evaluation of buildings located within the East Area to determine whether any of these buildings meet the eligibility criteria for listing on the National Register of Historic Places (NRHP). Several buildings within the East Area are scheduled for demolition during fiscal years 1999-2000 (Buildings 4, 5, and 6 and possibly Buildings 26, 27, and 28).

A series of laser welds were performed using a high-power diode-pumped continuous-wave Nd:YAG laser welder. In a previous study, the experimental results of those welds were examined, and the effects that changes in incident power and various welding parameters had on weld geometry were investigated. In this report, the fusion zones of the laser welds are compared with those predicted from a laser keyhole weld simulation model for stainless steels (304L and 21-6-9), vanadium, and tantalum. The calculated keyhole depths for the vanadium and 304L stainless steel samples fit the experimental data to within acceptable error, demonstrating the predictive power of numerical simulation for welds in these two materials. Calculations for the tantalum and 21-6-9 stainless steel were a poorer match to the experimental values. Accuracy in materials properties proved extremely important in predicting weld behavior, as minor changes in certain properties had a significant effect on calculated keyhole depth. For each of the materials tested, the correlation between simulated and experimental keyhole depths deviated as the laser power was increased. Using the model as a simulation tool, we conclude that the optical absorptivity of the material is the most influential factor in determining the keyhole depth. Future work will …

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In a previous study, the effect of the furnace atmosphere on E glass foaming was investigated with the specific goal to understand the impact of increased water content on foaming in oxy-fired furnaces. The present study extended the previous study and focused on the effect of glass batch chemical composition on E-glass foaming. The present study also included reruns of foam tests performed in a previous study, which resulted in the same trend: the foaming extent increased nearly linearly with the heating rate and no foam was produced when CO2 + 55% H2O atmosphere was introduced at 300°C. It was shown that the lack of foaming in the test with CO2 + 55% H2O atmosphere introduced at 300°C was caused by a loss of sulfate at T <1250°C because of higher water content at the early stages of melting. The tests with new batches in the present study showed that replacing quicklime with limestone tend to decrease foaming, possibly caused by increased sulfate loss during early stages of melting in the batch with limestone. The batches where Na2SO4 was replaced with NaNO3, NaNO3 + CeO2, or CeO2, produced only very limited foaming regardless of the replacing components. As expected, the …

These proceedings contain papers prepared for the 30th Monitoring Research Review: Ground-Based Nuclear Explosion Monitoring Technologies, held 23-25 September, 2008 in Portsmouth, Virginia. These papers represent the combined research related to ground-based nuclear explosion monitoring funded by the National Nuclear Security Administration (NNSA), Air Force Technical Applications Center (AFTAC), Air Force Research Laboratory (AFRL), US Army Space and Missile Defense Command, Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO), and other invited sponsors. The scientific objectives of the research are to improve the United States’ capability to detect, locate, and identify nuclear explosions. The purpose of the meeting is to provide the sponsoring agencies, as well as potential users, an opportunity to review research accomplished during the preceding year and to discuss areas of investigation for the coming year. For the researchers, it provides a forum for the exchange of scientific information toward achieving program goals, and an opportunity to discuss results and future plans. Paper topics include: seismic regionalization and calibration; detection and location of sources; wave propagation from source to receiver; the nature of seismic sources, including mining practices; hydroacoustic, infrasound, and radionuclide methods; on-site inspection; and data processing.

Eaton has developed an advanced energy management solution that has been deployed to several Industries of the Future (IoF) sites. This demonstrated energy savings and reduced unscheduled downtime through an improved means for performing predictive diagnostics and energy efficiency estimation. Eaton has developed a suite of online, continuous, and inferential algorithms that utilize motor current signature analysis (MCSA) and motor power signature analysis (MPSA) techniques to detect and predict the health condition and energy usage condition of motors and their connect loads. Eaton has also developed a hardware and software platform that provided a means to develop and test these advanced algorithms in the field. Results from lab validation and field trials have demonstrated that the developed advanced algorithms are able to detect motor and load inefficiency and performance degradation. Eaton investigated the performance of Wireless Sensor Networks (WSN) within various industrial facilities to understand concerns about topology and environmental conditions that have precluded broad adoption by the industry to date. A Wireless Link Assessment System (WLAS), was used to validate wireless performance under a variety of conditions. Results demonstrated that wireless networks can provide adequate performance in most facilities when properly specified and deployed. Customers from various IoF expressed …

With increased application of MOX fuels and longer burnup times for conventional fuels, higher concentrations of the transplutonium actinides Am and Cm (and even heavier species like Bk and Cf) will be produced. The half-lives of the Am isotopes are significantly longer than those of the most important long-lived, high specific activity lanthanides or the most common Cm, Bk and Cf isotopes, thus the greatest concern as regards long-term radiotoxicity. With the removal and transmutation of Am isotopes, radiation levels of high level wastes are reduced to near uranium mineral levels within less than 1000 years as opposed to the time-fram if they remain in the wastes.

Final report for the Columbia Non-neutral Torus. This details the results from the design, construction and initial operation of the Columbia Non-neutral Torus.