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A Well-Defined, Silica-Supported Tungsten Imido Alkylidene OlefinMetathesis Catalyst

Description: The reaction of [W(=NAr)(=CHtBu)(CH2tBu)2](1; Ar =2,6-iPrC6H3) with a silica partially dehydroxylated at 700oC, SiO2-(700),gives syn-[(_SiO)W(=NAr)(=CHtBu)(CH2tBu)](2) as a major surface species,which was fully characterized by mass balance analysis, IR, NMR, EXAFS,and DFT periodic calculations. Similarly, complex 1 reacts with[(c-C5H9)7Si7O12SiOH]to give [(SiO)W(=NAr)(=CHtBu)(CH2tBu)](2m), whichshows similar spectroscopic properties. Surface complex 2 is a highlyactive propene metathesis catalyst, which can achieve a TON of 16000within 100 h, with only a slow deactivation.
Date: June 13, 2006
Creator: Rhers, Bochra; Salameh, Alain; Baudouin, Anne; Quadrelli, ElsjeA.; Taoufik, Mostafa; Coperet, Christophe et al.
Partner: UNT Libraries Government Documents Department

Study of a double bubbler for material balance in liquids

Description: The objective of this project was to determine the potential of a double bubbler to measure density and fluid level of the molten salt contained in an electrorefiner. Such in-situ real-time measurements can provide key information for material balances in the pyroprocessing of the nuclear spent fuel. This theoretical study showed this technique has a lot of promise. Four different experiments were designed and performed. The first three experiments studied the influence of a variety of factors such as depth difference between the two tubes, gas flow rate, the radius of the tubes and determining the best operating conditions. The last experiment purpose was to determine the precision and accuracy of the apparatus during specific conditions. The elected operating conditions for the characterization of the system were a difference of depth of 25 cm and a flow rate of 55 ml/min in each tube. The measured densities were between 1,000 g/l and 1,400g/l and the level between 34cm and 40 cm. The depth difference between the tubes is critical, the larger, the better. The experiments showed that the flow rate should be the same in each tube. The concordances with theoretical predictions were very good. The density precision was very satisfying (spread<0.1%) and the accuracy was about 1%. For the level determination, the precision was also very satisfying (spread<0.1%), but the accuracy was about 3%. However, those two biases could be corrected with calibration curves. In addition to the aqueous systems studied in the present work, future work will focus on examining the behavior of the double bubbler instrumentation in molten salt systems. The two main challenges which were identified in this work are the effect of the temperature and the variation of the superficial tension.
Date: September 1, 2013
Creator: Lambert, Hugues
Partner: UNT Libraries Government Documents Department

Enhanced Attenuation: A Reference Guide On Approaches To Increase The Natural Treatment Capacity Of A System

Description: The objective of this document is to explore the realm of enhancements to natural attenuation processes for cVOCs and review examples that have been proposed, modeled, and implemented. We will identify lessons learned from these case studies to confirm that enhancements are technically feasible and have the potential to achieve a favorable, cost-effective contaminant mass balance. Furthermore, we hope to determine if opportunities for further improvement of the enhancements exist and suggest areas where new and innovative types of enhancements might be possible.
Date: January 30, 2006
Creator: Vangelas, K
Partner: UNT Libraries Government Documents Department


Description: The objective of this document is to explore the realm of enhancements to natural attenuation processes for cVOCs and review examples that have been proposed, modeled, and implemented. We will identify lessons learned from these case studies to confirm that enhancements are technically feasible and have the potential to achieve a favorable, cost-effective contaminant mass balance. Furthermore, we hope to determine if opportunities for further improvement of the enhancements exist and suggest areas where new and innovative types of enhancements might be possible.
Date: August 10, 2006
Creator: Looney, B; Michael Heitkamp, M; Gary Wein (NOEMAIL), G; Karen Vangelas, K; Karen-M Adams, K; Early, Tom et al.
Partner: UNT Libraries Government Documents Department

Summary Of Identification Of Rrgulatory Acceptability Of Enhanced Attenuation Categories

Description: Chlorinated solvents once introduced to the subsurface are a persistent contaminant. Though many types of active treatments have been developed and deployed to treat contaminated sites, most sites will ultimately incorporate the use of passive treatments into the remediation process. A process favored by many is the use of Monitored Natural Attenuation that relies on the natural attenuation processes occurring within the system to remediate the contaminants. However, it is likely there will be instances where the natural attenuation processes will be insufficient to reduce the level of contamination to acceptable levels in an acceptable span of time. Rather than redeploying source treatments, the Department of Energy along with the Interstate Technology and Regulatory Council (ITRC) are developing the concept of Enhanced Attenuation (EA). An enhancement is any type of intervention that might be implemented in a source-plume system that increases the magnitude of attenuation by natural processes beyond that which occurs without intervention. Enhanced Attenuation is the result of applying an enhancement or intervention technique that will sustainably manipulate a natural attenuation process leading to an increased reduction in mass flux of contaminants. Efforts are moving forward along several fronts in developing this concept. This effort is a follow-on to initial discussions with site owners, regulators and stakeholder organizations in the development of the concepts of Enhanced Attenuation, the use of mass balance to evaluate the stability of a waste site/groundwater plume, and identification of tools that will support characterization and monitoring efforts for MNA and EA treatments. Those discussions are documented in the report titled ''Summary Document of Workshops for Hanford, Oak Ridge and Savannah River Site as part of the Monitored Natural Attenuation and Enhanced Passive Remediation for Chlorinated Solvents-DOE Alternative Project for Technology Acceleration'' (WSRC, 2003). The objective of this report is to document the May ...
Date: January 4, 2006
Creator: Vangelas, K
Partner: UNT Libraries Government Documents Department


Description: Over the past three decades, much progress has been made in the remediation of chlorinated solvents from the subsurface. Yet these pervasive contaminants continue to present a significant challenge to the U.S. Department of Energy (DOE), other federal agencies, and other public and private organizations. The physical and chemical properties of chlorinated solvents make it difficult to rapidly reach the low concentrations typically set as regulatory limits. These technical challenges often result in high costs and long remediation time frames. In 2003, the DOE through the Office of Environmental Management funded a science-based technical project that uses the U.S. Environmental Protection Agency's technical protocol (EPA, 1998) and directives (EPA, 1999) on Monitored Natural Attenuation (MNA) as the foundation on which to introduce supporting concepts and new scientific developments that will support remediation of chlorinated solvents based on natural attenuation processes. This project supports the direction in which many site owners want to move to complete the remediation of their site(s), that being to complete the active treatment portion of the remedial effort and transition into MNA. The overarching objective of the effort was to examine environmental remedies that are based on natural processes--remedies such as Monitored Natural Attenuation (MNA) or Enhanced Attenuation (EA). The research program did identify several specific opportunities for advances based on: (1) mass balance as the central framework for attenuation based remedies, (2) scientific advancements and achievements during the past ten years, (3) regulatory and policy development and real-world experience using MNA, and (4) exploration of various ideas for integrating attenuation remedies into a systematic set of ''combined remedies'' for contaminated sites. These opportunities are summarized herein and are addressed in more detail in referenced project documents and journal articles, as well as in the technical and regulatory documents being developed within the ITRC. Three topic ...
Date: August 16, 2006
Creator: Vangelas, K; Brian02 Looney, B; Truex, Michael J. & Newell, Charles J.
Partner: UNT Libraries Government Documents Department

Monitored Natural Attenuation and Enhanced Attenuation for Chlorinated Solvent Plumes - It’s All About Balance

Description: Nature's inherent ability to cleanse itself is at the heart of Monitored Natural Attenuation (MNA). The complexity comes when one attempts to measure and calculate this inherent ability, called the Natural Attenuation Capacity (NAC), and determine if it is sufficient to cleanse the system to agreed upon criteria. An approach that is simple in concept for determining whether the NAC is sufficient for MNA to work is the concept of a mass balance. Mass balance is a robust framework upon which all decisions can be made. The inflows to and outflows from the system are balanced against the NAC of the subsurface system. For MNA to be acceptable, the NAC is balanced against the contaminant loading to the subsurface system with the resulting outflow from the system being in a range that is acceptable to the regulating and decision-making parties. When the system is such that the resulting outflow is not within an acceptable range, the idea of taking actions that are sustainable and that will bring the system within the acceptable range of outflows is evaluated. These sustainable enhancements are being developed under the Enhanced Attenuation (EA) concept.
Date: May 19, 2005
Partner: UNT Libraries Government Documents Department

Monitored Natural Attenuation of Chlorinated Solvents - Moving Beyond Reuctive Dechlorination

Description: Monitored natural attenuation (MNA), while a remedy of choice for many sites, can be challenging when the contaminants are chlorinated solvents. Even with many high quality technical guidance references available there continue to be challenges implementing MNA at some chlorinated solvent sites. The U.S. Department of Energy, as one organization facing such challenges, is leading a project that will incorporate developing concepts and tools into the existing toolbox for selecting and implementing MNA as a remediation option at sites with chlorinated solvents contamination. The structure and goals of this project were introduced in an article in the Winter 2004 issue of Remediation (Sink et al.). This article is a summary of the three technical areas being developed through the project: mass balance, enhanced attenuation, and characterization and monitoring supporting the first two areas. These topics will be documented in separate reports available from the US Department of Energy Office of Scientific and Technical Information at www.osti.gov.
Date: April 10, 2006
Creator: Vangelas, K
Partner: UNT Libraries Government Documents Department

Enrichment Assay Methods Development for the Integrated Cylinder Verification System

Description: International Atomic Energy Agency (IAEA) inspectors currently perform periodic inspections at uranium enrichment plants to verify UF6 cylinder enrichment declarations. Measurements are typically performed with handheld high-resolution sensors on a sampling of cylinders taken to be representative of the facility's entire product-cylinder inventory. Pacific Northwest National Laboratory (PNNL) is developing a concept to automate the verification of enrichment plant cylinders to enable 100 percent product-cylinder verification and potentially, mass-balance calculations on the facility as a whole (by also measuring feed and tails cylinders). The Integrated Cylinder Verification System (ICVS) could be located at key measurement points to positively identify each cylinder, measure its mass and enrichment, store the collected data in a secure database, and maintain continuity of knowledge on measured cylinders until IAEA inspector arrival. The three main objectives of this FY09 project are summarized here and described in more detail in the report: (1) Develop a preliminary design for a prototype NDA system, (2) Refine PNNL's MCNP models of the NDA system, and (3) Procure and test key pulse-processing components. Progress against these tasks to date, and next steps, are discussed.
Date: October 22, 2009
Creator: Smith, Leon E.; Misner, Alex C.; Hatchell, Brian K. & Curtis, Michael M.
Partner: UNT Libraries Government Documents Department

Indoor exposure to radiation in the case of an outdoorrelease

Description: This report quantifies the effectiveness of ''sheltering in place'' in a commercial building in the event of an outdoor radiological release. The indoor exposure to airborne particles is calculated by solving the mass balance equation that accounts for the loss of particles due to deposition, filtration and exhaust. Quantitative estimates of shelter-inplace effectiveness are provided for typical commercial buildings.
Date: June 1, 2006
Creator: Price, Phillip N. & Jayaraman, Buvana
Partner: UNT Libraries Government Documents Department

Incorporation of aqueous reaction and sorption kinetics andbiodegradation into TOUGHREACT

Description: The needs for considering aqueous and sorption kinetics and microbiological processes arises in many subsurface problems, such as environmental and acid mine remediation. A general rate expression has been implemented into TOUGHREACT, which considers multiple mechanisms(pathways) and includes multiple product, Monod, and inhibition terms. In this paper, the formulation for incorporating kinetic rates among primary species into the mass balance equations is presented. A batch sulfide oxidation problem is simulated. The resulting concentrations are consistent with simple hand calculations. A 1-D reactive transport problem with kinetic biodegradation and sorption was investigated, which models the processes when a pulse of water containing NTA (nitrylotriacetate) and cobalt is injected into a column. The problem has several interacting chemical processes that are common to many environmental problems: biologically-mediated degradation of an organic substrate, bacterial cell growth and decay, metal sorption and aqueous speciation including metal-ligand complexation. The TOUGHREACT simulation results agree very well with those obtained with other simulators.
Date: April 17, 2006
Creator: Xu, Tianfu
Partner: UNT Libraries Government Documents Department

An asymptotic model of seismic reflection from a permeable layer

Description: Analysis of compression wave propagation in a poroelastic medium predicts a peak of reflection from a high-permeability layer in the low-frequency end of the spectrum. An explicit formula expresses the resonant frequency through the elastic moduli of the solid skeleton, the permeability of the reservoir rock, the fluid viscosity and compressibility, and the reservoir thickness. This result is obtained through a low-frequency asymptotic analysis of Biot's model of poroelasticity. A review of the derivation of the main equations from the Hooke's law, momentum and mass balance equations, and Darcy's law suggests an alternative new physical interpretation of some coefficients of the classical poroelasticity. The velocity of wave propagation, the attenuation factor, and the wave number, are expressed in the form of power series with respect to a small dimensionless parameter. The absolute value of this parameter is equal to the product of the kinematic reservoir fluid mobility and the wave frequency. Retaining only the leading terms of the series leads to explicit and relatively simple expressions for the reflection and transmission coefficients for a planar wave crossing an interface between two permeable media, as well as wave reflection from a thin highly-permeable layer (a lens). Practical applications of the obtained asymptotic formulae are seismic modeling, inversion, and at-tribute analysis.
Date: October 15, 2009
Creator: Silin, D. & Goloshubin, G.
Partner: UNT Libraries Government Documents Department

Fuzzy systems modeling of in situ bioremediation of chlorinatedsolve n ts

Description: A large-scale vadose zone-groundwater bioremediationdemonstration was conducted at the Savannah River Site (SRS) by injectingseveral types of gases (ambient air, methane, and nitrous oxide andtriethyl phosphate mixtures) through a horizontal well in the groundwaterat a 175 ft depth. Simultaneously, soil gas was extracted through aparallel horizontal well in the vadose zone at a 80 ft depth Monitoringrevealed a wide range of spatial and temporal variations ofconcentrations of VOCs, enzymes, and biomass in groundwater and vadosezone monitoring boreholes over the field site. One of the powerful modernapproaches to analyze uncertain and imprecise data chemical data is basedon the use of methods of fuzzy systems modeling. Using fuzzy modeling weanalyzed the spatio-temporal TCE and PCE concentrations and methanotrophdensities in groundwater to assess the effectiveness of differentcampaigns of air stripping and bioremediation, and to determine the fuzzyrelationship between these compounds. Our analysis revealed some detailsabout the processes involved in remediation, which were not identified inthe previous studies of the SRS demonstration. We also identified somefuture directions for using fuzzy systems modeling, such as theevaluation of the mass balance of the vadose zone - groundwater system,and the development of fuzzy-ruled methods for optimization of managingremediation activities, predictions, and risk assessment.
Date: September 5, 2001
Creator: Faybishenko, Boris & Hazen, Terry C.
Partner: UNT Libraries Government Documents Department

Formation dry-out from CO2 injection into saline acquifers: Part 2, Analytical model for salt precipitation

Description: From a mass balance for water dissolved into the flowing CO{sub 2} stream, and a consideration of saturation profiles from the Buckley-Leverett (1942) fractional flow theory, we derive an equation that directly relates gas saturation S{sub g,d} at the dry-out front to temperature, pressure and salinity dependence of fluid properties. The equation is easily solved by iteration or interpolation. From gas saturation at the front we derive the average gas saturation in the dry-out region, from which we obtain the 'solid saturation' S{sub S}, i.e., the fraction of pore space filled with solid precipitate. Values of S{sub S} derived from this theory show excellent agreement with numerical simulations presented in the preceding companion paper ('Part 1'). Thus, from relative permeabilities and fluid properties at in situ conditions prior to CO{sub 2} injection, it is possible to directly make an accurate estimate of solids precipitation, without having to perform a numerical simulation of the injection process.
Date: February 1, 2009
Creator: Pruess, Karsten
Partner: UNT Libraries Government Documents Department

Radon Transport Into a Single-Family House with a Basement

Description: We describe the results of a five-month study during which {sup 222}Rn (radon) concentration, air-exchange (or ventilation) rate, and weather and radon source parameters were continuously monitored in a house near Chicago, with a view to accounting for the radon entry rate. The results suggest that the basement sump and perimeter drain-tile system played an important role in influencing the radon entry rate and that pressure-driven flow was more important than diffusion as a mechanism for radon entry. For the first 15 weeks of the study period the mean indoor radon concentration and air-exchange rate were 2.6 pCi {ell}{sup -1} (96 Bq m{sup -3}) and 0.22 hr{sup -1}, respectively; both parameters varied over a wide range. Radon concentration measured at the sump cover varied bimodally between 0-10 pCi {ell}{sup -1} (0-400 Bq m{sup -3}) and 300-700 pCi {ell}{sup -1} (10,000-30,000 Bq m{sup -3}). These two modes corresponded well to periods of low and high indoor radon concentration; average indoor concentrations for these periods were 1.5 and 6.5 pCi {ell}{sup -1} (55 and 240 Bq m{sup -3}), respectively. For data sorted into two groups according to radon activity at the sump, the indoor radon concentration showed little dependence on air-exchange rate. This result is accounted for by a model in which the radon entry rate, determined by mass balance, has two components--one diffusive, the other pressure-driven and presumed to be proportional to the air-exchange rate. In fitting this model to the data we found that (1) the flow component dominated the diffusive component for periods of both high and low activity at the sump; and (2) the magnitude of the diffusive component agreed well with the expected contributions of radon emanating from concrete and soil and diffusing into the house. To account for the flow component, we hypothesize that pressure drives ...
Date: January 1, 1984
Creator: Nazaroff, W.W.; Feustel, H.; Nero, A.V.; Revzan, K.L.; Grimsrud,D.T.; Essling, M.A. et al.
Partner: UNT Libraries Government Documents Department

BETR Global - A geographically explicit global-scale multimedia contaminant fate model

Description: We present two new software implementations of the BETR Global multimedia contaminant fate model. The model uses steady-state or non-steady-state mass-balance calculations to describe the fate and transport of persistent organic pollutants using a desktop computer. The global environment is described using a database of long-term average monthly conditions on a 15{sup o} x 15{sup o} grid. We demonstrate BETR Global by modeling the global sources, transport, and removal of decamethylcyclopentasiloxane (D5).
Date: April 1, 2011
Creator: Macleod, M.; Waldow, H. von; Tay, P.; Armitage, J. M.; Wohrnschimmel, H.; Riley, W. et al.
Partner: UNT Libraries Government Documents Department

Liquid radioactive waste discharges from B plant to cribs

Description: This engineering report compiles information on types and quantities of liquid waste discharged from B-Plant directly to cribs, ditches, reverse wells, etc., that are associated with B-Plant. Waste discharges to these cribs via overflow form 241-B, 241-BX, and 241-BY tank farms, and waste discharged to these cribs from sources other than B-Plant are discussed.Discharges from B-Plant to other cribs, unplanned releases, or waste remaining in tanks are not included in the report. Waste stream composition information is used to predict quantities of individual chemicals sent to cribs. This provides an accurate mass balance of waste streams from B-Plant to these cribs. These predictions are compared with known crib inventories as a verification of the process.
Date: May 29, 1996
Creator: Williams, J. C.
Partner: UNT Libraries Government Documents Department

Field balancing in the real world

Description: Field balancing can achieve significant results when other problems are present in the frequency spectrum and multiple vibrations are evident in the waveform. Many references suggest eliminating other problems before attempting to balance. That`s great - if you can do it. There are valid reasons for this approach, and it would be much easier to balance machinery when other problems have been corrected. It is the theoretical ideal in field balancing. However, in the real world of machinery maintained for years by reacting to immediate problems, the classic vibration signature for unbalance is rarely seen. Maintenance personnel make most of their decisions with limited information. The decision to balance or not to balance is usually made the same way. This paper will demonstrate significant results of field balancing in the presence of multiple problems. By examining the data available and analyzing the probabilities, a reasonable chance for success can be assured.
Date: September 5, 1997
Creator: Bracher, B.
Partner: UNT Libraries Government Documents Department

Accurate and portable weigh-in-motion system for manifesting air cargo

Description: An automated and portable weigh-in-motion system has been developed at Oak Ridge National Laboratory for the purpose of manifesting cargo onto aircraft. The system has an accuracv range of {plus_minus} 3.0% to {plus_minus} 6.0% measuring gross vehicle weight and locating the center of balance of moving vehicles at speeds of 1 to 5 mph. This paper reviews the control/user interface system and weight determination algorithm developed to acquire, process, and interpret multiple sensor inputs. The development effort resulted in a self-zeroing, user-friendly system capable of weighing a wide range of vehicles in any random order. The control system is based on the STANDARD (STD) bus and incorporates custom-designed data acquisition and sensor fusion hardware controlled by a personal computer (PC) based single-board computer. The user interface is written in the ``C`` language to display number of axles, axle weight, axle spacing, gross weight, and center of balance. The weighing algorithm developed will function with any linear weight sensor and a set of four axle switches per sensor.
Date: December 1, 1995
Creator: Nodine, R.N.; Scudiere, M.B. & Jordan, J.K.
Partner: UNT Libraries Government Documents Department

A fugacity-based indoor residential pesticide fate model

Description: Dermal and non-dietary pathways are potentially significant exposure pathways to pesticides used in residences. Exposure pathways include dermal contact with residues on surfaces, ingestion from hand- and object-to-mouth activities, and absorption of pesticides into food. A limited amount of data has been collected on pesticide concentrations in various residential compartments following an application. But models are needed to interpret this data and make predictions about other pesticides based on chemical properties. In this paper, we propose a mass-balance compartment model based on fugacity principles. We include air (both gas phase and aerosols), carpet, smooth flooring, and walls as model compartments. Pesticide concentrations on furniture and toys, and in food, are being added to the model as data becomes available. We determine the compartmental fugacity capacity and mass transfer-rate coefficient for wallboard as an example. We also present the framework and equations needed for a dynamic mass-balance model.
Date: June 1, 2002
Creator: Bennett, Deborah H.; Furtaw, Edward J. & McKone, Thomas E.
Partner: UNT Libraries Government Documents Department

A Mass Balance for Mercury in the San Francisco Bay Area

Description: We develop and illustrate a general regional multi-species model that describes the fate and transport of mercury in three forms, elemental, divalent, and methylated, in a generic regional environment including air, soil, vegetation, water and sediment. The objectives of the model are to describe the fate of the three forms of mercury in the environment and determine the dominant physical sinks that remove mercury from the system. Chemical transformations between the three groups of mercury species are modeled by assuming constant ratios of species concentrations in individual environmental media. They illustrate and evaluate the model with an application to describe the fate and transport of mercury in the San Francisco Bay Area of California. The model successfully rationalizes the identified sources with observed concentrations of total mercury and methyl mercury in the San Francisco Bay Estuary. The mass balance provided by the model indicates that continental and global background sources control mercury concentrations in the atmosphere but loadings to water in the San Francisco Bay estuary are dominated by runoff from the Central Valley catchment and re-mobilization of contaminated sediments deposited during past mining activities. The model suggests that the response time of mercury concentrations in the San Francisco Bay estuary to changes in loadings is long, of the order of 50 years.
Date: June 1, 2005
Creator: MacLeod, Matthew; McKone, Thomas E. & Mackay, Don
Partner: UNT Libraries Government Documents Department

Spent Nuclear Fuel (SNF) Project Multi Canister Overpack (MCO) Process Flow Diagram Mass Balance Calculations

Description: The purpose of this calculation document is to develop the bases for the material balances of the Multi-Canister Overpack (MCO) Level 1 Process Flow Diagram (PFD). The attached mass balances support revision two of the PFD for the MCO and provide future reference.
Date: September 8, 2000
Creator: KLEM, M.J.
Partner: UNT Libraries Government Documents Department


Description: All work associated with Task 1 (Baseline Assessment) was successfully completed and preliminary corrections/recommendations were provided back to the management at each test site. Detailed float-sink tests were completed for Site No.1 and are currently underway for Sites No.2-No. 4. Unfortunately, the work associated with sample analyses (Task 4--Sample Analysis) has been delayed because of a backlog of coal samples at the commercial laboratory participating in this project. As a result, a no-cost project time extension may be necessary in order to complete the project. A decision will be made at the end of the next reporting period. Some of the work completed this quarter included (i) development of mass balance routines for data analysis, (ii) formulation of an expert system rule base, (iii) completion of statistical computations and mathematical curve fits for the density tracer test data. In addition, an ''O & M Checklist'' was prepared to provide plant operators with simple operating and maintenance guidelines that must be followed to obtain good HMC performance.
Date: January 14, 2002
Creator: Hyman, David M.
Partner: UNT Libraries Government Documents Department