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Evaluating and modeling the effects of surface sampling factors on the recovery of organic chemical attribution signatures using the accelerated diffusion sampler and solvent extraction

In this study, an experimental design matrix was created and executed in order to test the effects of various real-world factors on the ability of the (1) accelerated diffusion sampler with solid phase micro-extraction (ADS-SPME) and (2) solvent extraction to capture organic chemical attribution signatures (CAS) from dimethyl methylphosphonate (DMMP) spiked onto painted wall board (PWB) surfaces. The DMMP CAS organic impurities sampled by ADS-SPME and solvent extraction were analyzed by gas chromatography/mass spectrometry (GC/MS). The number of detected DMMP CAS impurities and their respective GC/MS peak areas were determined as a function of DMMP stock, DMMP spiked volume, exposure time, SPME sampling time, and ADS headspace pressure. Based on the statistical analysis of experimental results, several general conclusions are made: (1) ADS-SPME with vacuum (i.e., reduced pressure) increased the amount of detected CAS impurity, as measured by GC/MS peak area, by a factor of 1.7 to 1.9 for PWB under certain experimental conditions, (2) the amount of detected CAS impurity was most influenced by spiked volume, stock, and ADS headspace pressure, (3) the ADS had no measurable effect on the number of detected DMMP impurities, that is, the ADS (with and without reduced pressure) had no practical effect on the DMMP impurity profile collected from spiked PWB, and (4) solvent extraction out performed ADS-SPME in terms of consistently capturing all or most of the targeted DMMP impurities from spiked PWB.

36 MATERIALS SCIENCE↗

Progress Update on the In Situ Load Retention Aging Vessel

To improve upon our conventional thermally accelerated aging study methods which require periodic interruption of aging to perform load testing in an Instron machine, a new aging system is being developed to: (1) automate/facilitate data acquisition/analysis, (2) improve data quality, and (3) enable uninterrupted aging conditions (compression, temperature, atmosphere) which represents the service condition. In FY24, a thermal aging vessel instrumented with load cells was fabricated and tested. That unit demonstrated the primary function of the vessel: to continuously monitor the in situ load retention of up to three compressed polymer coupons undergoing thermally accelerated aging under nitrogen. A secondary objective, not realized in the unit due to inadequate sealing, was to enable a single initial nitrogen backfill (as opposed to a continuous purge) and gas sampling of the vessel headspace during thermal aging. Heating of the vessel was achieved using a custom heater jacket.

36 MATERIALS SCIENCE↗

Methods of detecting predators in algal cultures

The present disclosure features methods of detecting crop damage in an algal culture. Such methods include detecting one or more carotenoids as a volatile organic compound in a sample obtained from a headspace of the algal culture.

Fisher, Carolyn Laura↗

Gold Nanoparticles (AuNPs) as Reactive Matrix for Detection of Trace Levels of HCN in Air by Laser Desorption/Ionization Mass Spectrometry (LDI-MS)

Under direct laser desorption/ionization mass spectrometric conditions, the irradiation of target spots made of gold nanoparticle residues generates a series of peaks at m/z 197, 394, 591… representing Au{sub n}{sup −} ions (n = 1–3). In contrast, spectra recorded from gold nanoparticles directly mixed with an alkali cyanide exhibited an additional peak at m/z 249, indicating an abundant generation of gaseous [Au(CN){sub 2}]{sup −} ions upon irradiation. The relative intensity of the m/z 249 peak surged when the amount of cyanide in the mixture was increased. Most remarkably, a peak at m/z 249 was observed even from neat AuNPs upon irradiation, if a nearby spot, which was not irradiated, happened to bear a cyanide sample. We postulated that traces of HCN emanating from the headspace of aqueous cyanide solution during the sample-plate preparation is sufficient to convert gold to AuCN, which is subsequently detected as [Au(CN){sub 2}]{sup −}. Further experiments demonstrated that the relative intensity of the m/z 249 peak diminishes exponentially as the AuNP spot becomes more distant from the putative HCN source. Eventually, the method was developed as an efficient procedure to detect HCN or alkali cyanides. Using KCN, the detection limits were determined to be below 10 pg of CN{sup −} per spot. The method also demonstrated that, upon crushing, the seeds or roots of certain fruits and vegetables such as apple, peach, radish, and cassava, but not carrot, release HCN in amounts detectable by this method. .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Results of Hg Speciation Testing on 2Q15 Tank 50 and Tank 21 TCLP Extraction Fluid Samples and Tank 49 Material

The Savannah River National Laboratory (SRNL) was tasked with preparing and shipping samples for Hg speciation by Eurofins Frontier Global Sciences, Inc. in Seattle, WA on behalf of the Savannah River Remediation (SRR) Mercury Task Team. The sixth shipment of samples was designated to include SRNL Toxicity Characteristic Leaching Procedure (TCLP) extraction fluids from the 2Q15 Tank 50 and Tank 21 saltstone waste forms as well as Tank 49 material (HTF-49-15-45) collected on May 7, 2015. The TCLP extraction fluid samples were collected from duplicate extractions of two crushed saltstone fractions, one designated as “large” and one designated as “normal”. Both fractions of 2Q15 Tank 50 and Tank 21 saltstones (eight samples) were collected with the minimum possible free headspace and refrigerated prior to final dilution. The Tank 49 sample was left in its stainless steel dip bottle until it was opened and an aliquot diluted 1:100 with Eurofins deionized water on May 21, 2015. Following initial dilution in the Shielded Cells, the diluted Tank 49 sample was immediately moved to refrigeration and kept in the dark until prepared for shipment to Eurofins.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Six-Membered Concerted Mechanism for CO 2 Capture by Amines Studied under Charged Microdroplet Reaction Conditions

Carbon dioxide (CO 2 ) capture and storage represents an important technological challenge. A mechanistic understanding of interactions involved in the capture process is necessary not only for technological development but also for efficient conversion of captured CO 2 into value-added materials. Herein, we present a novel contained secondary electrospray ionization platform for studying the interactions of gaseous amines and CO 2 gas under microdroplet reaction conditions, which enables mass spectrometry (MS) characterization of CO 2 capture products and intermediates in real time. We detected [2 M + CO 2 + H] + species, which corresponds to a six-membered intermediate. DFT calculations confirmed the high stability of the protonated six-membered ring intermediate. This finding provides a plausible concerted mechanism in the microdroplet environment that excludes the involvement of thermodynamically disfavored ionic species. The carbamic acid counterpart of the final product/salt was readily characterized by tandem MS. The carbamic acid/amine salt was also isolated and characterized by Fourier transform infrared spectroscopy. By virtue of the fact that headspace vapors of amines are sampled, we were able to establish a high-throughput platform that enabled the CO 2 capture capacity of five different amines to be studied in under 2 min. The same device also enabled the absolute quantification of capture capacity.

Amines↗

Advanced Curation: Solving Current and Future Sample Return Problems

Advanced Curation is a wide-ranging and comprehensive research and development effort at NASA Johnson Space Center that identifies and remediates sample related issues. For current collections, Advanced Curation investigates new cleaning, verification, and analytical techniques to assess their suitability for improving curation processes. Specific needs are also assessed for future sample return missions. For each need, a written plan is drawn up to achieve the requirement. The plan draws while upon current Curation practices, input from Curators, the analytical expertise of the Astromaterials Research and Exploration Science (ARES) team, and suitable standards maintained by ISO, IEST, NIST and other institutions. Additionally, new technologies are adopted on the bases of need and availability. Implementation plans are tested using customized trial programs with statistically robust courses of measurement, and are iterated if necessary until an implementable protocol is established. Upcoming and potential NASA missions such as OSIRIS-REx, the Asteroid Retrieval Mission (ARM), sample return missions in the New Frontiers program, and Mars sample return (MSR) all feature new difficulties and specialized sample handling requirements. The Mars 2020 mission in particular poses a suite of challenges since the mission will cache martian samples for possible return to Earth. In anticipation of future MSR, the following problems are among those under investigation: What is the most efficient means to achieve the less than 1.0 ng/sq cm total organic carbon (TOC) cleanliness required for all sample handling hardware? How do we maintain and verify cleanliness at this level? The Mars 2020 Organic Contamination Panel (OCP) predicts that organic carbon, if present, will be present at the "one to tens" of ppb level in martian near-surface samples. The same samples will likely contain wt% perchlorate salts, or approximately 1,000,000x as much perchlorate oxidizer as organic carbon. The chemical kinetics of this reaction are poorly understood at present under the conditions of cached or curated martian samples. Among other parameters, what is the maximum temperature allowed during storage in order to preserve native martian organic compounds for analysis? What is the best means to collect headspace gases from cached martian (and other) samples? This gas will contain not only martian atmosphere but also off-gassed volatiles from the cached solids.

Fries, M.↗

Results of Hg speciation testing on tanks 30, 32, and 37 depth samples

The Savannah River National Laboratory (SRNL) was tasked with preparing and shipping samples for Hg speciation by Eurofins Frontier Global Sciences, Inc. in Seattle, WA on behalf of the Savannah River Remediation (SRR) Mercury Task Team. The twelfth shipment of samples was designated to include 3H evaporator system Tank 30, 32, and 37 depth samples. The Tank 30 depth sample (HTF-30-15-70) was taken at 190 inches from the tank bottom and the Tank 32 depth sample (HTF-32-15-68) was taken at 89 inches from the tank bottom and both were shipped to SRNL on June 29, 2015 in an 80 mL stainless steel dip bottles. The Tank 37 surface sample (HTF-37-15-94) was taken around 253.4 inches from the tank bottom and shipped to SRNL on July 21, 2015 in an 80 mL stainless steel dip bottle. All samples were placed in the SRNL Shielded Cells and left unopened until intermediate dilutions were made on July 24, 2015 using 1.00 mL of sample diluted to 100.00 mL with deionized H 2 O. A 30 mL Teflon® bottle was rinsed twice with the diluted tank sample and then filled leaving as little headspace as possible. It was immediately removed from the Shielded Cells and transferred to refrigerated storage where it remained at 4 °C until final dilutions were made on October 20. A second portion of the cells diluted tank sample was poured into a shielded polyethylene bottle and transferred to Analytical Development for radiochemical analysis data needed for Hazardous Material Transportation calculations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Partitioning of Radionuclides in Various Streams of the Mo-99 Purification Process

The Universal Neutron Irradiator (UNI) was designed to irradiate a small volume of uranium solution and to achieve high fission power without creating a large radionuclide (RN) inventory. The UNI system is equipped with a fully enclosed off-gas system with online hydrogen gas monitoring to prevent the production of an explosive atmosphere, as well as storage cylinders for capturing fission gases. It also includes a catalytic recombiner in the target capsule (to immediately recombine radiolytic hydrogen and oxygen gas in the system) and access ports for sampling the target solution and capsule headspace. In UNI Phase I experiments, 50 mL of uranyl sulfate solution was irradiated at 0.3–0.5 W/mL fission power using a tantalum target assembly to produce photoneutrons via irradiation with an electron beam. The purposes of the Phase I experiments were to test the efficacy of adding 200 ppm Fe 2+ to the target solution to prevent uranyl peroxide precipitation under representative irradiation conditions, and to monitor iodine speciation in the irradiated uranyl sulfate solution. The focus of the UNI Phase II experiments was to use an irradiated uranyl sulfate solution containing a mixture of fission products and monitor their distribution in various streams during the primary recovery column (titania-based column) that separates Mo-99 from uranium. Irradiations were designed to create sufficient activity for tracking their distribution in various processing streams using a combination of gamma counting and inductively coupled plasma mass spectrometry (ICP-MS) analyses. Obtained data will be used to better understand the composition of waste streams, accumulation of RN on the titania column, and identify what RNs accumulate in the uranyl sulfate solution. Furthermore, this knowledge will allow us to determine waste classifications for various streams produced during the Mo-99 purification process and develop an appropriate waste clean-up strategy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Results of Hg Speciation Testing on 2Q15 Tank 50 WAC and Cs-Decontaminated Tank 21 Waste Samples

The Savannah River National Laboratory (SRNL) was tasked with preparing and shipping samples for Hg speciation by Eurofins Frontier Global Sciences, Inc. in Seattle, WA on behalf of the Savannah River Remediation (SRR) Mercury Task Team. The fourth shipment of samples was designated to include 2Q15 Tank 50 WAC material (HTF-50-15-39) collected on April 7, 2015, and Tank 21 material (HTF-21-15-32, HTF-21-15-36, and HTF-21-15-37) the first collected on March 9 and the second two collected on April 6, 2015. The combined samples were subjected to Cs-decontamination through the use of MCU solvent. Samples were collected with the minimum possible free headspace and refrigerated prior to final dilution.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Results of Hg Speciation Testing on 2Q15 Tank 50 WAC and Cs-Decontaminated Tank 21 Waste Samples (Rev.1)

The Savannah River National Laboratory (SRNL) was tasked with preparing and shipping samples for Hg speciation by Eurofins Frontier Global Sciences, Inc. in Seattle, WA on behalf of the Savannah River Remediation (SRR) Mercury Task Team. The fourth shipment of samples was designated to include 2Q15 Tank 50 WAC material (HTF-50-15-39) collected on April 7, 2015, and Tank 21 material (HTF-21-15-32, HTF-21-15-36, and HTF-21-15-37) the first collected on March 9 and the second two collected on April 6, 2015. The combined samples were subjected to Cs-decontamination through the use of MCU solvent. Samples were collected with the minimum possible free headspace and refrigerated prior to final dilution.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Results Hg Speciation Testing on Tank 21 and Solvent Hold Tank (SHT) Material

The Savannah River National Laboratory (SRNL) was tasked with preparing and shipping samples for Hg speciation by Eurofins Frontier Global Sciences, Inc. in Seattle, WA on behalf of the Savannah River Remediation (SRR) Mercury Task Team. The second shipment of samples was designated to include Tank 21 material (HTF-15-21-32) collected on March 9, 2015 and Solvent Hold Tank (SHT) material (MCU-15-28, -29, and -30) collected on March 10, 2015. Samples were collected with the minimum possible free headspace.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

ESI-FTICR-MS Molecular Characterization of DOM Degradation under Warming in Tundra Soils from Utqiagvik (Barrow), Alaska

This dataset provides the results of warming incubation of Arctic soils from trough areas of a high-center polygon at the Barrow Environmental Observatory (BEO) in northern Alaska, United States. The organic-rich soil (8-20 cm below ground surface) and the mineral-rich soil (22-45 cm below surface) were separated, and the thawed and homogenized subsamples from each soil were incubated at -2 degrees C or 8 degrees C for 122 days under anoxic conditions (headspace filled with N2). The extracted DOM from soil samples were analyzed by Fourier transform ion cyclotron resonance mass spectrometry coupled with electrospray ionization (ESI-FTICR-MS). Reported analytes include soil water content, dissolved organic carbon, total organic carbon, MS peaks' m/z and intensities, and elemental composition of identified molecular formulas. This dataset includes five csv files and one pdf file.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Confined-Pyrolysis as an Experimental Method for Hydrothermal Organic Synthesis

A closed pyrolysis system has been developed as a tool for studying the reactions of organic compounds under extreme hydrothermal conditions. Small high pressure stainless steel vessels in which the ratio of sediment or sample to water has been adjusted to eliminate the headspace at peak experimental conditions confines the organic components to the bulk solid matrix and eliminates the partitioning of the organic compounds away from the inorganic components during the experiment. Confined pyrolysis experiments were performed to simulate thermally driven catagenetic changes in sedimentary organic matter using a solids to water ratio of 3.4 to 1. The extent of alteration was measured by monitoring the steroid and triterpenoid biomarkers and polycyclic aromatic hydrocarbon distributions. These pyrolysis experiments duplicated the hydrothermal transformations observed in nature. Molecular probe experiments using alkadienes, alkenes and alkanes in H2O and D2O elucidated the isomerization and hydrogenation reactions of aliphatic and the competing oxidative reactions occurring under hydrothermal conditions. This confined pyrolysis technique is being applied to test experiments on organic synthesis of relevance to chemical evolution for the origin of life.

Leif, Roald N.↗

Extraction and Trace Analysis of Trihalomethanes in Water Samples Using Zein@Fe{sub 3}O{sub 4} Nanocomposite

This study presents a simple dispersive solid phase extraction (DSPE) technique combined with headspace thermal desorption (HSTD) for extraction and determination of the most significant trihalomethanes (THMs), bromodichloromethane, bromoform, chloroform and dibromochloromethane, in water samples by using Zein@Fe{sub 3}O{sub 4} nanocomposite coupled with gas chromatography/micro electron capture detection (GC–MECD). Various parameters affecting the DSPE-HSTD performance were investigated and optimized. The obtained results revealed that under optimum conditions, LOD and LOQ values were in the range of 0.1–0.36, 0.3–1.08 µg L{sup −1}, respectively. The intra-day and inter-day precisions of the method at a concentration of 10 µg L{sup −1} for each analyte (n = 5) were obtained in the range of 5.69–6.70% and 6.12–7.34%, respectively. Finally, the proposed method was successfully applied for extraction and determination of four THMs in drinking water samples.

54 ENVIRONMENTAL SCIENCES↗

Qualitative Headspace GCMS Analysis of Lunar Regolith and Volatile Simulant Mixtures

Introduction: Future Artemis missions aim to return the volatile-bearing samples collected near lunar polar craters. We, as advanced curation scientists, are responsible for developing techniques and methodologies for preserving the integrity of returned samples and the science value those samples contain. The extent to which that preservation is possible, and the trade-offs preservation requires (e.g. monetary costs, sample volume limitations) all must be considered. Even less-than pristine volatile-bearing samples will be of tremendous value to the scientific community seeking to unravel the history of lunar surface volatiles and, more broadly, volatiles in the solar system. A sample collected on the lunar surface will experience at least five distinctive periods during which any changes here referred to as “alteration” will certainly occur at some scale: collection on the lunar surface; transportation back to Earth; long-term storage; curatorial processing; and allocation/distribution. The Planetary Exploration and Astromaterials Research Lab (PEARL) seeks to understand temperature and pressure effects on returned volatile samples by working with high-fidelity volatile-containing regolith simulants, setting the foundation for the future of cold curation. This abstract is focused on gas-surface interactions between LCROSS volatiles and readily available lunar regolith simulants. Experiments involved analyzing differences in headspace gas composition for various combinations of volatile and regolith simulants using gas chromatography/mass spectrometry (GC/MS). Experimental Procedure: The volatile simulants were chosen based on the molecules detected during the LCROSS mission.1 Stock solutions of condensed lunar volatile analytes were: methanol, 7 N ammonia in methanol, and 0.4% hydrogen sulfide in water. The regolith simulants used were primarily JSC-1A and NU-LHT-4M. Additional regolith simulant control studies were conducted with <150 μm sieved sand and KBr. A nested vial sample preparation approach separated the liquid stock solutions from the regolith, eliminating potential matrix effects between liquid and solid phases. Fifteen microliter aliquots of liquid volatile simulants were added to a 2 mL liquid GC vial and capped in atmosphere. An 18G needle punctured the 2 mL GC vial immediately before being transferred and sealed in a 20 mL GC vial containing 0-0.3 g of regolith simulant, see Figure 1. Separating the analytes ensures any changes observed in the total headspace gases is a result of gas-surface and/or gas-gas interactions. Equipment and Method: Initial GC/MS method development for the separation and identification of relevant headspace gases can be found in Amick, et al. 2023.2 The only hardware change is a different column: a TG-1701MS 30 m × 0.25 mm × 1.00 μm column. The vials were sampled at 10°C, room temperature (~25°C) and 50°C. Low temperature samples were kept in a chilled autosampler stage for at least 1 hour prior to sampling. High temperature samples were agitated at 50°C for 5 minutes immediately prior to injection onto the column. Headspace chromatograms were collected for each combination of temperature, regolith, and volatile simulant, including controls without one or both types of analytes, in triplicate. The chromatogram elution window for each analyte or significant atmospheric gas was identified using the peak mass spectrum cross-referenced with Figure 1.Picture of the nested vial set-up. a NIST MS library search. Each analyte peak was integrated after filtering the mass spectrum trace for the parent or most unique mass-to-charge ratio. For example, the mass-to-charge ratio used to identify, filter for, and integrate the carbon dioxide peak was centered around 44 m/z. Results: Figure 2 shows the integrated peak area for hydrogen sulfide in all combinations of regolith simulants, temperatures, and the addition of ammonia in methanol solution. Multiple repeat experiments with H2S and regolith simulants have confirmed hydrogen sulfide is removed from the headspace within 1 hour when exposed to JSC-1A, NU-LHT-4M and sand (not pictured). The consumption of H2S by lunar regolith simulants at different temperatures indicates surface chemistry will be an integral component in sample integrity and preservation. It is important to note that while the effect of surface chemistry on gaseous hydrogen sulfide is intriguing, further investigation into more chemically accurate regolith simulants is necessary and ongoing. The sulfur in hydrogen sulfide is in its most reduced state while off-the-shelf, terrestrially sourced JSC-1A and NU-LHT-4M are more oxidized than most lunar materials,3which likely leads to different oxidation-reduction reactions than would be expected in lunar regolith. Figure 3 shows the integrated peak area of carbon dioxide for each sample combination that contained ammonia in methanol solution. The addition of ammonia to the GC vials results in a consistent and reproducible decrease in carbon dioxide gas, even at 50°C. The effect became more pronounced when JSC-1A or NU-LHT-4M were present. This set of experiments demonstrated that the sample composition will affect the chemical and physical state of each component present. Future spectroscopic and microscopy experiments will be geared towards identifying the cause for the CO2(g) concentration decrease and the consumption of hydrogen sulfide. As cold and volatile curation scientists, this information provides necessary insight on how to appropriately handle and analyze volatile bearing returned samples, as well as predict the effect chemical composition has on the various sample phases we will analyze upon return to Earth. Unlike traditional curation of geologic materials, the molecules in a sample cannot be identified or processed using the naked eye or even an optical microscope. Volatile curation will require a combination of analytical techniques, including but not limited to highly sensitive gas and solid/condensed phase spectroscopy. This set of experiments has demonstrated the need for more detailed studies of volatile mixtures with mineralogically and geochemically analogous lunar regolith simulants to prepare for the curation of volatile-rich lunar samples from the south polar region of the Moon. References: [1] Colaprete, A., et al. (2010) Science, 330, (463-468). [2] Amick, C. L., et al.(2023) Houston, Texas, [3] Heiken, G. H., et al.(1991) (778-778)

Cecilia L Amick↗

WTP Waste Feed Qualification: Hydrogen Generation Rate Measurement Apparatus Testing Report

The generation rate of hydrogen gas in the Hanford tank waste will be measured during the qualification of the staged tank waste for processing in the Hanford Tank Waste Treatment and Immobilization Plant. Based on a review of past practices in measurement of the hydrogen generation, an apparatus to perform this measurement has been designed and tested for use during waste feed qualification. The hydrogen generation rate measurement apparatus (HGRMA) described in this document utilized a 100 milliliter sample in a continuously-purged, continuously-stirred vessel, with measurement of hydrogen concentration in the vent gas. The vessel and lid had a combined 220 milliliters of headspace. The vent gas system included a small condenser to prevent excessive evaporative losses from the sample during the test, as well as a demister and filter to prevent particle migration from the sample to the gas chromatography system. The gas chromatograph was an on line automated instrument with a large-volume sample-injection system to allow measurement of very low hydrogen concentrations. This instrument automatically sampled the vent gas from the hydrogen generation rate measurement apparatus every five minutes and performed data regression in real time. The fabrication of the hydrogen generation rate measurement apparatus was in accordance with twenty three (23) design requirements documented in the conceptual design package, as well as seven (7) required developmental activities documented in the task plan associated with this work scope. The HGRMA was initially tested for proof of concept with physical simulants, and a remote demonstration of the system was performed in the Savannah River National Laboratory Shielded Cells Mockup Facility. Final verification testing was performed using non-radioactive simulants of the Hanford tank waste. Three different simulants were tested to bound the expected rheological properties expected during waste feed qualification testing. These simulants were tested at different temperatures using purge gas spiked with varying amounts of hydrogen to provide verification that the system could accurately measure the hydrogen in the vent gas at steady state.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evaluation of different getter substrates using two-dimensional gas chromatography with time of flight mass spectrometry

We report while understanding hydrogen uptake by organic based getters such as 1,4-bis(phenylethynyl)benzene (DEB) combined with a palladium(0)bis(dibenzylideneacetone) (Pd(dba) 2 ) catalyst is essential, another crucial element to understand is the decomposition of the DEB, Pd(dba) 2 , and/or substrate material. The breakdown of these materials may create unwanted volatiles, which may interact with and lead to deterioration of sensitive materials. Moreover, it is critical to understand if different substrates cause the getter and/or catalyst to degrade in different manners. Utilizing comprehensive two-dimensional gas chromatography (GC×GC) with time-of-flight mass spectrometry (TOFMS), the presence of volatiles located in the headspace of various DEB/Pd(dba) 2 getter substrates is examined. These samples include a getter infused silicone foam, a hydrogenated getter infused silicone foam, an activated carbon getter pellet, and a hydrogenated activated carbon getter pellet. Application of Fisher ratio (F-ratio) analyses lead to the identification of several compounds that are generated or consumed through the hydrogenation process. These include benzene derivatives such as bibenzyl, benzaldehyde, and vinyl benzoate in the activated carbon pellets and 1,5-diphenyl-3-pentanone, toluene, styrene, and 1–1'(2-pentene 1,5-diyl)bis benzene in the silicone foams, and alkane/alkene derivatives such undecane, 4-tridecene, and decane in the activated carbon pellets and 2,6-dimethyl undecane in the silicone foams. Further comparison of the different hydrogenated getter substrates (e.g. activated carbon pellet and silicone foam) indicates that the different substrates alter the decomposition products created from the degradation of the DEB and Pd(dba) 2 .

47 OTHER INSTRUMENTATION↗