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NASA NTRS2000

The Search for Water and Other Volatiles in Martian Surface Materials: The Thermal Evolved Gas Analyzer (TEGA)

Volatile-bearing minerals and phases (e.g., Fe-oxyhydroxides, phyllosilicates, carbonates, sulfates, palagonites, glasses) may be important components of the Martian regolith. However, essentially no information exists on the mineralogical composition of volatile-bearing phases in the regolith. The Thermal Evolved Gas Analyzer (TEGA), which was part of the Mars Polar Lander payload, was to determine the abundances of two of the most important volatile compounds (i.e., water and carbon dioxide) in the martian soil and to identify the minerals or phases that harbor these volatiles. The TEGA instrument was composed of a differential scanning calorimeter (DSC) interfaced with evolved gas analysis (EGA). The EGA consisted of a Herriott cell of a tunable-diode laser (TDL) spectrometer that determines CO2 and H2O abundances. The sample chamber was to operate at about 100 mbar (-76 torr) with a N2 carrier gas flow of 0.4 sccm. Specifications of TEGA are described in detail elsewhere in this volume.

Ming, D. W.↗

NASA NTRS2011

Discovery and Identification of Dimethylsilanediol as a Contaminant in ISS Potable Water

In September 2010, analysis of ISS potable water samples was undertaken to determine the contaminant(s) responsible for a rise of total organic carbon (TOC) in the Water Processor Assembly (WPA) product water. As analysis of the routine target list of organic compounds did not reveal the contaminant, efforts to look for unknown compounds were initiated, resulting in discovery of an unknown peak in the gas chromatography/mass spectrometry (GC/MS) analysis for glycols. A mass spectrum of the contaminant was then generated by concentrating one of the samples and analyzing it by GC/MS in full-scan mode. Although a computer match of the compound identity could not be obtained with the instrument database, a search with a more up-to-date mass spectral library yielded a good match with dimethylsilanediol (DMSD). Inductively coupled plasma/mass spectrometry (ICP/MS) analyses showed abnormally high silicon levels in the samples, confirming that the unknown compound(s) contained silicon. DMSD was then synthesized to confirm the identification and provide a standard to develop a calibration curve. Further confirmation was provided by external direct analysis in real time time of flight (DART TOF) mass spectrometry. To routinely test for DMSD in the future, a quantitative method was needed. A preliminary GC/MS method was developed and archived samples from various locations on ISS were analyzed to determine the extent of the contamination and provide data for troubleshooting. This paper describes these events in more detail as well as problems encountered in routine GC/MS analyses and the subsequent development of high performance liquid chromatography and LC/MS/MS methods for measuring DMSD.

Rutz, Jeffrey A.↗

DOE OSTI2023

TRACER-Tethersonde VOC data

One objective of TRACER-Tethersonde campaign was to deploy a volatile organic compound (VOC) sampler on the Tethered Balloon System (TBS) to create vertical profiles and characterize VOC composition. Volatile organic compounds (VOCs) are highly reactive precursor species that undergo atmospheric processing to form secondary products, including aerosol. VOC emissions are influenced by many factors that include but are not limited to temperature, time of day, local anthropogenic activities, and local vegetation, which result in large spatiotemporal variability. The vertical distribution of volatile species is crucial for understanding gas-phase processing for particle production but challenging to accomplish using currently available sampling devices. The standalone sampler built during the campaign enabled the execution of robust experimental designs, including sample collection using resin tubes at multiple altitudes on subsequent flights. Following field sampling, resin tubes were transported back to Baylor University for chemical analysis using a Markes International thermal desorption unit coupled with a gas chromatograph-tandem mass spectrometer (Thermo Scientific). The target analyte list includes biogenic and anthropogenic VOCs.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2010

Regolith Volatile Characterization (RVC) in RESOLVE

Resource investigation in the lunar poles is of importance to the potential impact of in-situ resource utilization (ISRU). The RESOLVE project developed a payload to investigate the permanently shadowed areas of the lunar poles and demonstrate ISRU technology. As a part of the RESOLVE project, the regolith volatile characterization (RVC) subsystem was designed to examine the release of volatiles from sample cores. The test sample was heated in the reactor to release the volatiles where they were analyzed with gas chromatography. Subsequently, the volatile sample was introduced into the lunar water resource demonstration (LWRD) subsystem where the released hydrogen and water were selectively captured. The objective of the Regolith Volatile Characterization (RVC) subsystem was to heat the crushed core sample and determine the desorption of volatile species of interest. The RVC subsystem encompasses the reactor and the system for volatile analysis. The system was designed to analyze H2, He, CO, CO2, N2, 02, CH4, H2S and H2O. The GC chosen for this work is a Siemens MicroSAM process GC with 3 columns and 8 TCD detectors. Neon was chosen as the carrier gas to enhance the analysis of hydrogen and helium.The limit of detection for the gases is approx.1000ppm for H2, CO. CO2 , N2, O2 and H2 S. The limit of detection for CH4 is approx.4000ppm and the water limit of detection is -10000 ppm with a sample analysis time of 2-3 minutes. These values (with the exception of water and H2S) were determined by dilution of a six gas mixture from Scott Gas (5% CO2, CO, O2, N2, 4% CH4 and H2) using mass flow controllers (MFC5). Water was calibrated at low levels using an in house relative humidity (RH) generator. H 2S and high concentrations of H2 were calibrated by diluting a pure stream of gas with MFCs. Higher concentrations of N2 and 02 were calibrated using Air again diluting with MFCs. There were three modification goals for the GC in EBU2 that would allow this process GC to be used in the field demo for RESOLVE. The first modification was to decrease the weight associated with the GC, this included eliminating the explosion proof case (Figure 1) and replacing it with a lightweight case as well as using an on board COPV tank for the neon carrier gas. The next goal was to add a second oven for the molecular sieve column to allow for dual temperature control during GC operation; the separation of hydrogen and helium is optimum at lower temperatures while the water analysis required higher temperatures creating a competing design requirement. The second oven also allows a lower limit of detection for water quantification and avoids the possibility of water condensing in the GC which could ruin the column characteristics. The final goal was to modify the column arrangement to optimize the system for our specific application. Figure 2 shows the internal details of the module optimized optimized for our field application. The modifications and performance of the gas analysis system will be discussed in detail.

Captain, Janine↗

NASA NTRS1998

Mars Volatiles and Climate Surveyor (MVACS) Integrated Payload for the Mars Polar Lander Mission

The Mars Volatiles and Climate Surveyor (MVACS) integrated payload for the Mars Polar Lander will be launched in January 1999, with a scheduled landing on Mars' south-polar layered deposits in December 1999. Over the course of its 90-day nominal mission during the martian southern spring and summer seasons, it will make in situ measurements that will provide new insights into the behavior and distribution of martian volatiles, MVACS consists of four major instrument systems: a surface stereo imager (SSI), which will acquire multispectral stereo images of the surface and atmosphere; a 2-m robotic arm (RA), which will dig a O.5-m deep trench and acquire surface and subsurface samples that will be imaged by a focusable robotic arm camera (RAC), which will take close-up images of surface and subsurface samples at a spatial resolution of 21 micron; a meteorology package (MET), which will make the first measurements of surface pressure, temperature, and winds in Mars' southern hemisphere and employ a tunable diode laser (TDL) spectrometer to measure the water-vapor concentration and isotopic composition of CO2 in the martian atmosphere; and a thermal and evolved gas analyzer (TEGA), which will use differential scanning calorimetry and TDL-evolved gas analysis to determine the concentrations of ices, adsorbed volatiles, and volatile-bearing minerals in surface and subsurface soil samples. The unique in situ measurements made by MVACS at its high-latitude landing site will define a number of important aspects of the physical, isotopic, and chemical nature of the martian near-surface and subsurface environment that will be valuable in better understanding Mars meteorites and returned samples, as well as in the search for martian resources that could be utilized by humans.

Paige, D. A.↗

NASA NTRS2012

Chromatographic, Spectroscopic and Mass Spectrometric Approaches for Exploring the Habitability of Mars in 2012 and Beyond with the Curiosity Rover

The Sample Analysis at Mars (SAM) suite of instruments on the Curiosity Rover of Mars Science Laboratory Mission is designed to provide chemical and isotopic analysis of organic and inorganic volatiles for both atmospheric and solid samples. The goals of the science investigation enabled by the gas chromatograph mass spectrometer and tunable laser spectrometer instruments of SAM are to work together with the other MSL investigations is to quantitatively assess habitability through a series of chemical and geological measurements. We describe the multi-column gas chromatograph system employed on SAM and the approach to extraction and analysis of organic compounds that might be preserved in ancient martian rocks.

Mahaffy, Paul↗

DOE OSTI2020

Comparison between mirror Langmuir probe and gas-puff imaging measurements of intermittent fluctuations in the Alcator C-Mod scrape-off layer

Statistical properties of the scrape-off layer plasma fluctuations are studied in ohmically heated plasmas in the Alcator C-Mod tokamak. For the first time, plasma fluctuations as well as parameters that describe the fluctuations are compared across measurements from a mirror Langmuir probe (MLP) and from gas-puff imaging (GPI) that sample the same plasma discharge. This comparison is complemented by an analysis of line emission time-series data, synthesized from the MLP electron density and temperature measurements. The fluctuations observed by the MLP and GPI typically display relative fluctuation amplitudes of order unity together with positively skewed and flattened probability density functions. Such data time series are well described by an established stochastic framework that models the data as a superposition of uncorrelated, two-sided exponential pulses. The most important parameter of the process is the intermittency parameter, $γ=τ_d/τ_w$, where τd denotes the duration time of a single pulse and $τ_w$ gives the average waiting time between consecutive pulses. In this study we show, using a new deconvolution method, that these parameters can be consistently estimated from different statistics of the data. We also show that the statistical properties of the data sampled by the MLP and GPI diagnostic are very similar. Finally, a synthetic GPI signal using only plasma parameters sampled by the MLP shows qualitatively different fluctuation statistics from the measured GPI signal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1976

Extensive 1-year survey of trace elements and compounds in the airborne suspended particulate matter in Cleveland, Ohio

Concentrations of 75 chemical constituents in the airborne particulate matter were measured in Cleveland, Ohio, during 1971 and 1972. Values covering a 1-year period (45 to 50 sampling days) at each of 16 sites are presented for 60 elements. A lesser number of values is given for sulfate, nitrate, fluoride, acidity, 10 polynuclear aromatic hydrocarbon compounds, and the aliphatic hydrocarbon compounds as a group. Methods used included instrumental neutron activation, emission spectroscopy, gas chromatography, combustion techniques, and colorimetry. Uncertainties in the concentrations associated with the sampling procedures, the analysis methods, the use of several analytical facilities, and samples with concentrations below the detection limits are evaluated in detail. The data is discussed in relation to other studies and source origins. The trace constituent concentrations as a function of wind direction are used to suggest a practical method for air pollution source identification.

King, R. B.↗

NASA NTRS2014

The Investigation of Magnesium Perchlorate/Iron Phase-mineral Mixtures as a Possible Source of Oxygen and Chlorine Detected by the Sample Analysis at Mars (SAM) Instrument in Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument onboard the Curiosity rover detect-ed O2 and HCl gas releases from the Rocknest (RN) eolian bedform and the John Klein (JK) and Cumber-land (CB) drill hole materials in Gale Crater (Fig. 1) [1,2]. Chlorinated hydrocarbons have also been detect-ed by the SAM quadrupole mass spectrometer (QMS) and gas chromatography/mass spectrometer (GCMS) [1,2,3,4]. These detections along with the detection of perchlorate (ClO4(-)) by the Mars Phoenix Lander's Wet Chemistry Laboratory (WCL) [5] suggesting perchlo-rate is a possible candidate for evolved O2 and chlorine species. Laboratory thermal analysis of individual per-chlorates has yet to provide an unequivocal tempera-ture match to the SAM O2 and HCl release data [1,2]. Catalytic reactions of Fe phases in the Gale Crater ma-terial with perchlorates can potentially reduce the de-composition temperatures of these otherwise pure per-chlorate/chlorate phases [e.g., 6,7]. Iron mineralogy found in the Rocknest materials when mixed with Ca-perchlorate was found to cause O2 release temperatures to be closer match to the SAM O2 release data and enhance HCl gas releases. Exact matches to the SAM data has unfortnunately not been achieved with Ca-perchlorate-Fe-phase mixtures [8]. The effects of Fe-phases on magnesium perchlorate thermal decomposi-tion release of O2 and HCl have not been evaluated and may provide improved matches to the SAM O2 and HCl release data. This work will evaluate the thermal decomposition of magnesium perchlorate mixed with fayalite/magnetite phase and a Mauna Kea palagonite (HWMK 919). The objectives are to 1) summarize O2 and HCl releases from the Gale Crater materials, and 2) evaluate the O2 and HCl releases from the Mg-perchlorate + Fe phase mixtures to determine if Mg-perchlorate mixed with Fe-phases can explain the Gale Crater O2 and HCl releases.

Sutter, B.↗

NASA NTRS2014

The Investigation of Chlorates as a Possible Source of Oxygen and Chlorine Detected by the Sample Analysis at Mars (SAM) Instrument in Gale Crater, Mars

Sutter, B.↗

DOE OSTI2021

SO3/H2SO4 continuous real-time sensor demonstration at a power plant

We present results from field testing of a new, innovative sensor developed to measure SO3/H2SO4 continuously and in real time at a coal-fired power plant. The system utilizes the sensitivity, specificity, and real-time capabilities of mid-infrared (Mid-IR) laser-based sensor technology, along with a heated, close-coupled cell mounted directly to a power plant duct. Measurements were made by the laser sensor over a 2-day period and compared to results from the accepted method, EPA 8A, which requires a 30-minute collection, labor intensive processing, and off-site analysis at a lab. In contrast to the condensation method, the laser sensor continuously samples flue gas and reports measurements of the concentration of SO3/H2SO4, SO2 ever second with unattended operation. This initial demonstration proved the sensor concept and paves the way for its use for optimizing sorbent injection used to neutralize SO3/H2SO4. Optimized sorbent injection will enable significant cost savings associated with efforts to mitigate the presence and effects of SO3/H2SO4 such as “Blue Plume”, air heater fouling, and duct corrosion. In particular, the real-time, actionable information will enable better control of additive injection in flex conditions and variable fuels.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2019

Final Report – Cooperative Research and Development Agreement between National Energy Technology Laboratory and Oxergy, Inc.

The NETL Raman Gas Analyzer (RGA) has been demonstrated to have an extremely fast response (<1 second) multi-gas analysis capability. All but the noble gases are Raman active, although the Raman interaction is weak. The RGA uses a reflectively lined capillary as the optical cell, providing both a small sample volume for fast gas exchange, and a much greater Raman signal collection than traditional instrument configurations. This allows very fast measurement of fuel gases (hydrogen, methane, ethane, propane) as well as other common industrial gases (carbon monoxide, carbon dioxide, nitrogen, oxygen, and water). This provides a new enabling technology for faster, smarter process control based on the chemical composition of the gases in the process – including improved fuel flexibility and efficiency for power generation systems. Research and development up to 2016 resulted in the construction of two field prototypes of the NETL RGA, which has been in applied to various laboratory applications for testing. The results of the testing have been used to improve the RGA design, with the intent to support technology transfer. The quality of the optical capillary used in the RGA is critical to its performance, and prior work at NETL produced a few optical capillaries superior to those commercially available. The production of high optical quality capillaries, however, was inconsistent in its results. With the support of the DOE Office of Technology Transitions, through the Technology Commercialization Fund program, this project was undertaken to address this commercialization barrier and to also evaluate the possible application of Raman gas analysis to a supercritical water gasification process being developed by Oxergy Inc. Oxergy, a small business located in Fairbanks, Alaska, is developing ultra-compact thermochemical reaction devices built with advanced manufacturing processes. Chief Technology Officer Jonathan Kamler holds the (pending) patent to Oxergy’s core reactor technology. Oxergy maintains wet-lab and combustion-lab space at the University of Alaska Fairbanks Center for Sustainable Living in Palmer, Alaska, where Mr. Kamler operates a pilot-scale, supercritical water gasification system designed and built by Oxergy. Mr. Kamler also operates an All Powers Labs Power Pallet gasifier coupled to a 10KW electrical generator as a dry biomass test platform at the Palmer facility. Both systems are suitable for real-world, collaborative testing of Raman gas analysis applications. The objectives of the CRADA include making the production of high-quality optical capillaries consistent and high yield, investigating other options for optical waveguides, and testing the capillaries for measurements in supercritical water gasification. Success on these objectives will support commercialization of both the RGA and supercritical water gasification technologies. Through the work performed on this project, a new apparatus was constructed and optimized to provide consistent production of high-quality optical capillaries. Several thick-walled capillaries were coated using this apparatus and shipped to Oxergy in September 2018 for testing in both dry gasification and supercritical water gasification process monitoring applications at University of Alaska Fairbanks facilities in Palmer. The strong earthquake near Anchorage and Palmer in November 2018 caused extensive damage and closure of the facilities used by Oxergy, preventing Oxergy from proceeding with experimental testing before the end of the project; the facility has been closed indefinitely. Earthquake damage prohibited the completion of all the project objectives prior to the end of the project. However, significant progress was made toward addressing a core technology commercialization barrier. The largest and most mature potential market for Raman gas analysis is its use in analytical instruments, which require sensitivity and low detection limits, and Oxergy’s market research found that market inertia is a barrier to commercial success in this market. Although NETL’s innovations in capillary coating have substantially improved Raman gas analysis capability, the likely market is expected to be niche applications that value the fast detection of real-time changes in gas composition.

Chorpening, Benjamin↗

DOE OSTI2026

Metabolomics analysis of P. tremula × P. alba ‘717-1B4’ tissue culture hybrids grown in liquid media supplemented with EGGC and d4-EGGC

A metabolite linked to ethylene metabolism in Populus was recently structurally characterized as 2-hydroxyethyl β-D-glucopyranoside, an ethylene glycol glucose conjugate (EGGC). The dataset presented here is associated with the metabolomics analysis of various tissues (i.e., roots, stems/leaves) of plants grown in liquid media supplemented with EGGC and stable-isotope labelled EGGC (i.e., d4-EGGC). Data were collected using a Thermo Scientific gas chromatograph (GC) coupled to a Q Exactive Orbitrap mass spectrometer (MS). Samples were collected at three different timepoints and silylated prior to GCMS analysis.

09 BIOMASS FUELS↗

NASA NTRS2018

Volatile Detections in Gale Crater Sediment and Sedimentary Rock: Results from the Mars Science Laboratory's Sample Analysis at Mars Instrument

This chapter discusses the detection of evolved gases from Gale crater sedimentary rock and eolian sediment by the Mars Science Laboratory rover's Sample Analysis at Mars (SAM) instrument. An overview is presented of the SAM instrument along with summary of key results from previous evolved gas analyses conducted at the Viking and Phoenix landing sites. The SAM measurements of evolved water, sulfur dioxide, carbon dioxide, carbon monoxide, oxygen, and nitrous oxide from Gale crater samples are presented. The phases responsible for the evolved gas detections and the implications for their presence are then evaluated. The water deuterium to hydrogen (D/H) ratio is discussed in context of understanding the degree of water loss from Mars. In the introduction of this book, we briefly explored the history of the exploration of Mars, where we discussed a major shift in the scientific thinking and public perception of the nature of the surface of Mars as new missions explored the Red Planet. The first observations of the surface sparked speculations of Mars being inhabited by intelligent beings, inspiring fantasy, science fiction, and, of course, further exploration. The turn came when Mariner 4 returned images of a lunar-like landscape, a monotonous basaltic world with many impact craters but no water, and therefore no prospects for life to find a habitable niche. The authors of the chapters of this book show how different our understanding of Mars is today from the historical Mariner 4 perspective!

Sutter, Brad↗

DOE OSTI2025

OzMALDI: A Gas-Phase, In-Source Ozonolysis Reaction for Efficient Double-Bond Assignment in Mass Spectrometry Imaging with Matrix-Assisted Laser Desorption/Ionization

Lipids make up an important class of biomolecules with diverse structures and varied chemical functions. This diversity is a major challenge in chemical analysis and limits our understanding of biological functions and regulation. A major way lipid isomers differ is by double-bond (db) position, and analyzing db-isomers is especially challenging for mass spectrometry imaging (MSI). Ozonolysis can be used to determine the dbposition and has been paired with MSI before. However, previous techniques require increased analysis time to allow for gas-phase reactions within an ion trap or ion mobility cell or additional sample preparation time to allow for offline ozonation. Here, we introduce a new ozonolysis method inside the matrix-assisted laser desorption-ionization (MALDI) source, termed OzMALDI, that simultaneously produces ozonides from all unsaturated lipids. This allows us to determine db-positions without adding additional reaction time while maintaining the high mass resolution provided by Orbitrap MS. This new technique is especially effective at determining multiple db-positions in lipids containing polyunsaturated fatty acids, which is a limitation of many previous techniques. OzMALDI-MSI was applied to the analysis of rat brain and genetically engineered Camelina and soybean seed samples, demonstrating the utility of this method and uncovering novel biological information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Improvements on the Diagnostic Residual Gas Analyzer at Wendelstein 7-X

Exhaust gas analysis provides key information on fusion processes, divertor operation, and wall state in fusion experiments and future reactors. The diagnostic residual gas analyzer (DRGA) concept has been developed for ITER with a focus on fast helium and hydrogen isotope detection. The first operation of the prototype DRGA (P-DRGA) at the stellarator Wendelstein 7-X showed potential for improvement in terms of magnetic sensor shielding, data acquisition automation, and potential new additions to the cluster of sensors on the P-DRGA. More recently, a Monte Carlo simulation of the flow of the mixed gas species effluent from the pressure-reducing orifice, down to about 8-m sampling tube and into the analysis region of the sensors, has been found to generally agree with previous calculations and measurements but revealed potential back-streaming effects for light gases, with impact on detection limits both for the prototype and for the ITER DRGA currently in design. For the upcoming campaign of the prototype, an enhanced soft iron shield will safeguard the gauges against magnetic stray field influence. The newly introduced shielding has been tested for its effect on magnetic stray fields and found to reduce the inside residual field by about two orders of magnitude.

Schlisio, G↗

NASA NTRS1972

Solar wind rare gas analysis: Trapped solar wind helium and neon in Surveyor 3 material

The He-4 and Ne-20 contents in sections of the Surveyor 3 support strut samples were determined by optical and scanning electron microscopy and are compared to the results of the Apollo solar wind composition (SWC) experiments. The He-4/Ne-20 ratio in the samples from the sunlit side of the strut was approximately 300; the ratios determined in Apollo 12 lunar fines and SWC foil were below 100. The He-4/He-3 ratios were also determined, and the ratio obtained from Surveyor 3 material is higher than those found with Apollo 11 and 12 SWC experiments. The effects of spallation by cosmic rays or solar protons, stripping by cosmic ray or energetic solar alpha particles, recycling of solar wind He and radiogenic Ne, He from terrestrial atmosphere, mass discrimination near the moon, mass dependence of trapping probability, diffusion, and contamination by lunar dust are considered.

Buehler, F.↗

DOE OSTI2020

Ambient Mass Spectrometry Rapid Analysis Methods for Trace Inorganics

The ability to rapidly detect and characterize the chemistry of trace quantities of inorganic species has multiple potential applications, including nuclear safeguards, nuclear forensics, and environmental monitoring. Some mass spectrometric methods currently exist, but they are costly and time-intensive, often destroying chemical information in the process of ionization. Ambient mass spectrometry is a relatively new analytical method in which samples are introduced to the mass spectrometer from atmospheric pressure, rather than from high vacuum. Ambient MS can operate with gentler ionization methods such as electrospray ionization (ESI) and paper-spray ionization (PSI), reducing fragmentation and preserving the chemical information of the analyte. This may be useful for determining the intended purpose of material in a sample. Strontium, part of nuclear fallout, is analyzed here to test these new analytical methods for viability. Electrospray ionization mass spectrometry functions by spraying the sample as a solution through a needle charged to a few kV. A nebulizing gas flows out along with the sample to create the spray before droplets enter a drying chamber with heated drying gas to remove the solvent molecules. From there bare analyte ions enter the mass spectrometer. This method has the advantage of relatively fast sample preparation and stable ionization. More stable ionization produces higher-quality data. Paper-spray ionization mass spectrometry operates by applying sample to a paper triangle. The paper triangle is then electrified in a metal clamp to a few kV before spray solvent is applied. The spray solvent transports analyte in the sample to the tip, where it is ionized and enters the mass spectrometer. One advantage of this method is reduced sample preparation - an analyst can even swipe a surface and cut a triangle directly from the swipe. The data analysis serves to rapidly process tens of samples all at once. The mass spectrometer outputs a file containing a few hundred spectra for each sample. The pipeline processes each one to identify peaks of interest. A full palette of data analysis metrics are generated, including plots of the raw data and plots of calculated values such as isotopic ratios. The pipeline filters the raw data to remove noise and background peaks, as well as peaks representing detector saturation. A heat map is generated to show the overall spectrum in mass-time- intensity space. Post-processing, we obtained the desired calibration curves, demonstrating that both ESI-MS and PSI-MS are viable methods for quantifying trace amounts of inorganics while retaining their chemical speciation information. ESI-MS demonstrated a linear response region of 100 ppb to 20 ppm, with a limit-of-detection of around 100 ppb. At top left is an example spectrum with the {sup 88}SrNO{sub 3} peak identified to show the retention of chemical speciation. PSI-MS showed a linear response region of around 1 ppb to 1 ppm, with a limit-of-detection of near 1 ppb. PSI-MS produced more erratic results than ESI-MS, likely due to the variability in ionization resulting from manual positioning of the paper triangle near the MS inlet. Future efforts will focus on improving the repeatability of PSI-MS as well as analyzing other species of interest such as cerium and uranium. Improvements will also be made to create more reliable data extraction and intelligent data filtering.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗