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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Contribution of the numerical simulations in the development of the French HLLW vitrification Processes - 15126

For many years, the CEA (Commissariat a l'energie Atomique et aux energies Alternatives) Marcoule France has developed various processes dedicated to radioactive waste confinement, especially vitrification processes for HLLW. For 10 years now, the numerical simulation has become an important tool for research and development projects held in the CEA-AREVA Joint Vitrification Laboratory (LCV). Induction heating, fluid mechanics and thermal simulations take part of all new R and D projects. The contributions of such simulations are, first, the enhancement of the working knowledge of existing process. Those data are very useful to define optimisation choices, for example upgrades made on the hot metallic melter used since the 90's at La Hague facility. Second, the simulations are, of course, also used at the conception stage of new processes as a tool allowing wide ranges parametric tests. This has been extensively used in the design of the cold crucible inductive melter (CCIM) commissioned in 2010 at La Hague plant. Finally, it is a powerful and relatively cheap tool for prospective studies for processes of the future. Whatever the purpose, the potential benefits are gains on the reliability, the output capacity and the life time. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Technical basis for the reduction of the maximum temperature TGA-MS analysis of oxide samples from the 3013 destructive examination program

Thermogravimetric analysis with mass spectroscopy of the evolved gas (TGA-MS) is used to quantify the moisture content of materials in the 3013 destructive examination (3013 DE) surveillance program. Salts frequently present in the 3013 DE materials volatilize in the TGA and condense in the gas lines just outside the TGA furnace. The buildup of condensate can restrict the flow of purge gas and affect both the TGA operations and the mass spectrometer calibration. Removal of the condensed salts requires frequent maintenance and subsequent calibration runs to keep the moisture measurements by mass spectroscopy within acceptable limits, creating delays in processing samples. In this report, the feasibility of determining the total moisture from TGA-MS measurements at a lower temperature is investigated. A temperature of the TGA-MS analysis which reduces the complications caused by the condensation of volatile materials is determined. Analysis shows that an excellent prediction of the presently measured total moisture value can be made using only the data generated up to 700 °C and there is a sound physical basis for this estimate. It is recommended that the maximum temperature of the TGA-MS determination of total moisture for the 3013 DE program be reduced from 1000 °C to 700 °C. It is also suggested that cumulative moisture measurements at 550 °C and 700°C be substituted for the measured value of total moisture in the 3013 DE database. Using these raw values, any of predictions of the total moisture discussed in this report can be made.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

A Model from the Mind to the Operating Facility - 16448

The reprocessing of Spent Magnox fuel has been undertaken at the Sellafield site in the United Kingdom (UK) for more than 50 years and is now entering the final few years of its operating programme. The age of this facility has resulted in additional operational challenges which have led to the need for a sustained programme of continuous improvement. It has therefore been necessary to assess what potential plant improvements are key to delivering a successful end to the operating programme. In 2003 the UK National Nuclear Laboratory (NNL) (then Nexia Solutions) worked with Sellafield Ltd to produce a visual discrete event simulation (DES) model. The DES approach models plant equipment (such as a storage pond crane or fuel element processing equipment), and the key processes that these items undertake. Process times, availability and process logic are all combined to provide a prediction of the plant performance. Through the use of 'what-if' scenarios, changes to any model parameter can be undertaken. The benefits of such an approach have been in the ability for Sellafield Ltd to understand which changes to make and which do not add value. This then allows the operating facility to focus the improvement programme on quantitatively underpinned benefits, thus increasing the potential to complete the reprocessing programme ahead of schedule, which is a key aim for Sellafield Ltd. Maximising the benefit of this model has required a close working relationship between NNL, Sellafield Ltd Technical and the Sellafield Ltd Operations teams to ensure that the model is using the correct information and is addressing the real issues at hand. Over the past 12 years many ideas have been assessed and three examples have been selected to demonstrate the range of use of the model, and the different approaches used to identify issues and opportunities, agree an approach and provide solutions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Radioisotope Analysis of Wastewater from Livermore Site Retention Tanks by Gel Laboratory Gross Alpha, Gross Beta and Tritium Sampling Method

Lawrence Livermore National Laboratory discharged approximately 4.4% of the City of Livermore’s total wastewater in 2022 (LLNL’s Annual Site Environmental Report, Chapter 5, 2022). This volume includes wastewater from Sandia National Laboratories (SNL) and some process wastewater from Site 300. Due to the high volume and constituents of the discharge, LLNL works alongside the City of Livermore under permit #1250, requiring wastewater generated to be monitored and sampled in accordance with permit limits. Process wastewater, from buildings with the highest risk to sewer, is collected by wastewater retention tanks throughout the Livermore Site and sampled prior to discharge. Domestic wastewater directly discharges to sanitary sewer. To maintain permit requirements and ensure proper wastewater discharge practices, an internal wastewater audit was conducted during the summer of 2023. Current wastewater practices, regulatory knowledge and risk management across various Livermore Site buildings were evaluated. Workspaces connected to a wastewater retention tank and sanitary sewer drains were major focus areas. Data collected from walk-throughs prompted further evaluation as many practices were reported to be done based on historical usage. A table of concerns was created to showcase reasons for auditing and proceeding action. An analysis of current and historical retention tank usage throughout LLNL Livermore Site buildings with radioisotope results over a 5-year period from 2019 to 2024, was done to assess building trends and any significant changes throughout the 5-year period. Analytes evaluated were Gross Alpha, Gross Beta and Tritium (GABT) of eleven buildings at the Livermore Site, posing the highest risk to sanitary sewer for radioisotopes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Antarctica Radiological Source Removals (Final Report)

On 18 May 2015, the research vessel Akademik Fedorov of the Russian Antarctic Expedition (RAE) delivered four radioisotope thermoelectric generators (RTGs) from Antarctica to the port of St. Petersburg, Russia. The RTGs had been previously used in the work program of the former Soviet Antarctic Expedition (SAE). From the mid-1970s, RTGs have been used to provide autonomous power at geophysical and meteorological stations located in remote regions of Antarctica. The research was completed in the early 1990s, but not all the generators had been removed when the stations were decommissioned. The remaining four unsecured RTGs, with their strontium-90 ( 90 Sr) radiological material and a combined total activity of 80,000 curies (Ci), still posed a potential risk as they could be used for nefarious purposes. Therefore, a plan of action for the removal of the RTGs from Antarctica was developed. This was done within the framework of the international program for the disposal of Russian RTGs. Financial support and technical oversight was provided by the U.S. Department of Energy (DOE), while logistical support was provided by the Russian Antarctic Expedition (RAE) of the Arctic and Antarctic Research Institute (AARI) and by subsidiaries of the Russian Federation’s Rosatom State Corporation. Recovering and repatriating the RTGs from the continent of Antarctica to the Russian Federation proved to be a very difficult task, including satisfying all the legal aspects within a very tight timeframe. This involved indemnification issues, adhering to new laws enacted after the Soviet Union era, and obtaining all the necessary permits and certifications for transport of the RTGs by air, sea, and land. It was an international, collaborative effort involving the cooperation of multiple organizations to complete the legal work and preparation of necessary documents. In addition, AARI needed to create a separate structure within its organization to manage the process, including the provision of special medical screenings, training, and certifications of its institute personnel. This was done so AARI could fulfill its obligation for the safe handling of radioactive materials while in the field. Recovery of the RTGs required overcoming several logistical hurdles. The Akademik Fedorov, which transported the RTGs back to the Russian Federation, required retrofits to accommodate the RTGs for safe and secure transport of radioactive material. The United States Project Team (USPT) inspected the vessel while it was in dry dock in Turku, Finland, being retrofitted with their design. Special sleds had to be designed to transport RTGs, as well as equipment for identifying crevasses in the glaciers, over the Antarctic packed snow and ice. Provision of adequate fuel supplies for the long trek to the interior of Antarctica to recover one of the RTGs also had to be addressed. With the successful recovery, repatriation, and disassembly of the RTGs, the Radioactive Heat Sources (RHSs) were extracted and dispositioned, thus eliminating any risk of these radioactive sources being used for terrorist purposes. Successful completion of the project also fulfilled the requirements of the Protocol on Environmental Protection to the Antarctic Treaty concerning the need to remove unused radioactive materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Performance evaluation of a hybrid-passive landfill leachate treatment system using multivariate statistical techniques

Highlights: • Performance of a hybrid passive landfill leachate treatment system was evaluated. • 33 Water chemistry parameters were sampled for 21 months and statistically analyzed. • Parameters were strongly linked and explained most (>40%) of the variation in data. • Alkalinity, ammonia, COD, heavy metals, and iron were criteria for performance. • Eight other parameters were key in modeling system dynamics and criteria. - Abstract: A pilot-scale hybrid-passive treatment system operated at the Merrick Landfill in North Bay, Ontario, Canada, treats municipal landfill leachate and provides for subsequent natural attenuation. Collected leachate is directed to a hybrid-passive treatment system, followed by controlled release to a natural attenuation zone before entering the nearby Little Sturgeon River. The study presents a comprehensive evaluation of the performance of the system using multivariate statistical techniques to determine the interactions between parameters, major pollutants in the leachate, and the biological and chemical processes occurring in the system. Five parameters (ammonia, alkalinity, chemical oxygen demand (COD), “heavy” metals of interest, with atomic weights above calcium, and iron) were set as criteria for the evaluation of system performance based on their toxicity to aquatic ecosystems and importance in treatment with respect to discharge regulations. System data for a full range of water quality parameters over a 21-month period were analyzed using principal components analysis (PCA), as well as principal components (PC) and partial least squares (PLS) regressions. PCA indicated a high degree of association for most parameters with the first PC, which explained a high percentage (>40%) of the variation in the data, suggesting strong statistical relationships among most of the parameters in the system. Regression analyses identified 8 parameters (set as independent variables) that were most frequently retained for modeling the five criteria parameters (set as dependent variables), on a statistically significant level: conductivity, dissolved oxygen (DO), nitrite (NO{sub 2}{sup −}), organic nitrogen (N), oxidation reduction potential (ORP), pH, sulfate and total volatile solids (TVS). The criteria parameters and the significant explanatory parameters were most important in modeling the dynamics of the passive treatment system during the study period. Such techniques and procedures were found to be highly valuable and could be applied to other sites to determine parameters of interest in similar naturalized engineered systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

Processing of combined domestic bath and laundry waste waters for reuse as commode flushing water

An experimental investigation of processes and system configurations for reclaiming combined bath and laundry waste waters for reuse as commode flush water was conducted. A 90-min recycle flow was effective in removing particulates and in improving other physical characteristics to the extent that the filtered water was subjectively acceptable for reuse. The addition of a charcoal filter resulted in noticeable improvements in color, turbidity, and suds elimination. Heating and chlorination of the waste waters were investigated for reducing total organism counts and eliminating coliform organisms. A temperature of 335.9 K (145 F) for 30 min and chlorine concentrations of 20 mg/l in the collection tank followed by 10 mg/l in the storage tank were determined to be adequate for this purpose. Water volume relationships and energy-use rates for the waste water reuse systems are also discussed.

Hypes, W. D.↗
DOE OSTI2019

Non–solvent Fractionation of Lignin Enhances Carbon Fiber Performance

Even though lignin carbon fiber has been sought after for several decades, the poor mechanical performance remains to be a major barrier for commercial applications. The low mechanical performance is attributed to the heterogeneity of lignin polymer. Recent advances in fractionation technologies showed the great potential to reduce lignin heterogeneity, but current fractionation methods often depend on costly chemicals and materials such as enzymes, organic solvents, membranes, and dialysis tubes. Here, a new non–solvent strategy was developed to fractionate lignin by autohydrolysis. By using only water, lignin was efficiently fractionated into water–soluble and –insoluble fractions. The latter fraction had increased molecular weight and uniformity and resulted in more β–O–4 interunitary linkages as analyzed by size–exclusion chromatography and 2D heteronuclear single quantum coherence NMR spectroscopy, respectively. In particular, the water–insoluble fraction significantly enhanced the mechanical performances of the resultant carbon fibers. Mechanistic study by differential scanning calorimetry (DSC) revealed that the miscibility of lignin with guest polyacrylonitrile molecules was improved with the reduced lignin heterogeneity. Crystallite analyses by XRD and Raman spectroscopy revealed that the crystallite size and content of the pre–graphitic turbostratic carbon structure were increased. The fundamental understanding revealed how lignin fractionation could modify lignin chemical features to enhance the mechanical performance of resultant carbon fibers. As a result, the autohydrolysis fractionation thus represents a green, economic, and efficient methodology to process lignin waste and boost lignin carbon fiber quality, which could open new horizons for lignin valorization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Incorporation of trace metals in Hanford waste boehmite mineral phases and dissolution rate impacts

Abstract Data from radioactive Hanford tank waste samples was analyzed to assess whether trace metals present were incorporated into the bulk boehmite matrix or were simply intermingled with the bulk material and subsequent impacts to the boehmite dissolution rate. Results suggest that chromium is primarily blended into the bulk boehmite, with a small fraction present on the surface of the solids. However, increasing the level of chromium incorporation 30‐fold decreased the dissolution rate of boehmite by only 8%, suggesting incorporation of chromium into these samples had a minimal impact on the dissolution rate. Iron was also found to be incorporated in the boehmite solids. Silicon appears to be simply intermingled and not blended into the boehmite crystals.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Leaching and Biodegradation of Darocur 1173 used as a Photo-Initiator in the Production of Photocrosslinked Silicone Acrylates

Photocrosslinked silicone acrylates are used for a wide variety of applications, such as photocurable coatings, printing inks and adhesives. Their production requires the use of a photoinitiator (PI), such as Darocur 1173 (2-hydroxy-2-methyl-1-phenyl-propan-1-one). Even if PI represents a minor part of the formulation, residual amounts may remain in the polymerized products and possibly migrate into the environment during the use of the end products and/or at their end-of-life stage. To assess its possible fate under different environmental conditions, the release of Darocur 1173 from photocrosslinked silicone acrylates and its biodegradation were investigated. Leaching tests in water were conducted on thick coating and thin coated plastic films. Results showed that approximately 90% of the amount of Darocur 1173 used to synthesize thick coatings was released within 8 days of experiment. Biodegration assays were also done to assess the biodegradation of silicone coatings and PI under experimental conditions simulating the products’ end-of-life in sewage treatment plants (aerobic conditions) or in domestic waste landfills (anaerobic conditions). Results showed no biodegradation of thick coatings and PI under anaerobic conditions. An inhibitory effect was even observed on the biodegradation of glucose used as a reference biodegradable molecule. Under aerobic conditions however, PI was totally biodegraded and used as a carbon source, unlike the silicone coating which was not biodegraded.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Hopes Beyond PET Recycling: Environmentally Clean and Engineeringly Applicable

Disposal of plastics in the environment has become a core of anxiety in developing countries, while in the developed countries the focus has additionally been placed on design and manufacture of emerging products from plastic wastes—a somewhat vague yet promising horizon. Central to environmental concerns are poly(ethylene terephthalate) (PET) wastes, mainly from post-consumer bottles. Because of a considerable drop in molecular weight in the course of recycling, recycled PETs are not suitable for engineering uses. An efficient yet reasonably green synthesis route is employed here to convert PET wastes into polyurethane, and then carbon nanotubes (CNTs) was added at different levels to obtain nanocomposites with high mechanical properties. The effects of isocyanate (NCO)/hydroxyl (OH) molar ratio and CNTs content on the morphology, physical and mechanical properties were discussed. Chemical/physical crosslink density was calculated from initial slope of stress–strain curves, Mooney–Rivlin plots, strain-hardening modulus, rubbery-plateau storage modulus and swelling data. High tensile strength (300 MPa) and breaking elongation (160%) of polyurethane/CNTs nanocomposites born from PET wastes seemed promising. Microscopic analyses by AFM, SEM, and TEM gave useful information about distribution of CNTs in polyurethane. Lastly, structural changes were correlated to mechanical properties improvement.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Investigation into the Role of Surface Modification of Cellulose Nanocrystals with Succinic Anhydride in Dye Removal

Herein, the effect of surface modification of cellulose nanocrystals (CNC) on the sorption of dyes from waste textile effluent (methylene blue as a model) was achieved. The esterification of the isolated CNC from wood sawdust by acid hydrolysis was performed through melting with succinic anhydride (SA). At using 1:3–1:9 as the feeding ratios of CNC to SA, the succinylated CNC (CNC-SA) was obtained with degree of substitution of 1.6–2.2 and carboxylic content of 286.8–381.7 mmol/kg. Both of diameter size and zeta potential of the prepared CNC-SA were gradually enlarged by increasing the reactant feed ratio, indicating the successful modification of CNC surface with highly stable particles via increasing the negative charges on the outer surface. FTIR and XRD affirmed the change in the chemical structure as well as crystallinity of CNC after succinylation reaction. The prepared succinylated CNC was applied in the removal of methylene blue (MB) dye and the data showed that the sorption capacity is a direct proportional linear relation with the contents of carboxylic group. Within 120 min contact time, the sorption capacity was enlarged from 64.1 mg/g for CNC to 84.1 mg/g for CNC-SA3. The sorption data was fitted well to the first order kinetic model. Due to the esterification, the rate of sorption reaction is accelerated by double factor. These findings will maximize the benefit of esterified CNC in water treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Sustainable Alternative Composites Using Waste Vegetable Oil Based Resins

Laminates were produced with epoxy resins from waste vegetable oil (WVO) intended for the manufacturing of environmentally-friendly alternatives for the composites industry. Post-use cooking oil appears a promising source of triglycerides for polymer manufacturing. Matrices cured with methylhexahydrophthalic anhydride (MHHPA) were reinforced with glass and flax fibres, creating a library of composites that were compared to analogues from virgin oil and benchmarked against commercial diglycidyl ether of bisphenol A (DGEBA). Glass fibre-reinforced composites presented Young’s moduli similar to the benchmark but reduced tensile strength. Chemical pre-treatment of the flax fibre (NaOH and stearic acid) countered the limited tensile performance observed for materials with untreated flax; improvements were evidenced by DMA and SEM. Moreover, WVO-based resins greatly improved impact properties and reduced density with no effect on thermal stability. Therefore, WVO-based composites appear as more sustainable alternatives in applications demanding toughness, stiffness and lightweight over strength.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Optimal Allocation of Water Resources Using a Two-Stage Stochastic Programming Method with Interval and Fuzzy Parameters

Efficient water allocation is one of the most prominent issues in water resources management. In this research, a two-stage interval-parameter stochastic fuzzy programming with type 2 membership functions was used to allocate water resources optimally to different users under uncertainty. This method can handle uncertainties expressed as probability distributions, discrete intervals, and fuzzy sets. The model considers treated wastewater as an allocable water resource in a scenario, in addition to water that is extracted from wellheads, springs, and qanats. Moreover, the loss rate of water during distribution, surplus water in the reservoir in the previous and the next period, and treated wastewater parameters have been incorporated into the model. This model was applied to a case study of water resources allocation within a multi-user and multi-reservoir context in the Zarand region of Kerman, Iran. The results indicate that reasonable solutions have been generated, in the form of interval and fuzzy information under different scenarios that could help managers provide optimal water resources allocation plans. The results also demonstrate that establishing a wastewater treatment station increases the system net benefits, surplus water in wellheads for the next period, and system reliability (level of satisfying the fuzzy goal and constraints), and decreases encountering water shortages.

58 GEOSCIENCES↗
DOE OSTI2023

SCALE depletion capabilities for molten salt reactors and other liquid-fueled systems

Nuclear reactor systems that use fuel dissolved in a liquid have the potential for enhanced safety characteristics, improved fuel-cycle outcomes, and more efficient isotope-production configurations. In these reactor systems, the fueled liquid may simultaneously undergo irradiation, physical and chemical removal processes, and fueling. The modeling and simulation of this transmutation and decay with material additions and removals is an ongoing research area. An accurate simulation tool is critical to the reactor and fuel-cycle design, reactor deployment, and source-term characterization for these advanced reactor systems. The work described herein involved implementing, testing, and applying the capability to perform reactor physics simulations within the Oak Ridge National Laboratory-developed SCALE suite for nuclear systems analyses and design, leveraging much of its pedigree in quality-assurance and reactor-analysis capabilities. The functionalities to simulate irradiation with material feeds and removals had been added in ORIGEN, and the TRITON reactor physics sequence was extended to calculate the total removed material and track external nonirradiated mixtures to estimate separate processing or waste streams. Results from these capabilities align with analytical expectations obtained from ORIGEN for simplified test cases and with expectations for a molten salt reactor application. This implementation, available with the SCALE 6.3 release, provides for a more efficient and accurate material accountability methodology, allowing for the characterization, design, and analysis of the complete isotopic material inventory of advanced liquid-fueled systems for a variety of applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Analyzing source apportioned methane in northern California during Discover-AQ-CA using airborne measurements and model simulations

This study analyzes source apportioned methane (CH 4 ) emissions and atmospheric mixing ratios in northern California during the Discover-AQ-CA field campaign using airborne measurement data and model simulations. Source apportioned CH 4 emissions from the Emissions Database for Global Atmospheric Research (EDGAR) version 4.2 were applied in the 3-D chemical transport model GEOS-Chem and analyzed using airborne measurements taken as part of the Alpha Jet Atmospheric eXperiment over the San Francisco Bay Area (SFBA) and northern San Joaquin Valley (SJV). During the time period of the Discover-AQ-CA field campaign EDGAR inventory CH 4 emissions were ~5.30 Gg day –1 (Gg = 1.0 × 10 9 g) (equating to ~1.90 × 10 3 Gg yr –1 ) for all of California. According to EDGAR, the SFBA and northern SJV region contributes ~30% of total CH 4 emissions from California. Source apportionment analysis during this study shows that CH 4 mixing ratios over this area of northern California are largely influenced by global emissions from wetlands and local/global emissions from gas and oil production and distribution, waste treatment processes, and livestock management. Model simulations, using EDGAR emissions, suggest that the model under-estimates CH 4 mixing ratios in northern California (average normalized mean bias (NMB) = –5.2% and linear regression slope = 0.20). The largest negative biases in the model were calculated on days when large amounts of CH 4 were measured over local emission sources and atmospheric CH 4 mixing ratios reached values >2.5 parts per million. Sensitivity emission studies conducted during this research suggest that local emissions of CH 4 from livestock management processes are likely the primary source of the negative model bias. These results indicate that a variety, and larger quantity, of measurement data needs to be obtained and additional research is necessary to better quantify source apportioned CH 4 emissions in California.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effect of ion interactions on the Raman spectrum of NO 3 − : Toward monitoring of low-activity nuclear waste at Hanford

Raman spectroscopy is a valuable in-situ technique for many applications. The concentrations of species in complex ionic mixtures of nuclear waste can be estimated using Raman measurements. However, it has been experimentally observed that ion interactions can cause a modification of Raman peak intensities and positions. The present work explores the nonlinear behavior associated with the nitrate anion, NO 3 − , which is present in abundance in low activity nuclear waste. We examine changes in the main Raman peak of the nitrate anion in the presence of other ions. A wide range of concentrations are covered, including those expected during direct-feed low-activity waste (DFLAW) processing at the Hanford site in the State of Washington. The experiments showed that the ions interact and associate to form ion pairs, which results in a blue shift (i.e., a shift towards higher wavenumbers) in the main Raman peak of nitrate. The results indicate that cation concentration is a better predictor of the peak shift, compared to ionic strength, both for binary and multicomponent mixtures. These findings have direct implications on the development of spectra-to-composition models for the DFLAW system, since they show deviations from the linearity assumptions used in common chemometric models.

42 ENGINEERING↗