Search NASA⌕ Search

SEARCH · Search NASA

Results for “chlorine activation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 217 records · Page 12

U.S. Indirect and Direct Potable Water Reuse Systems (2020)

Collection of proposed, operating, demonstration, and pilot study potable reuse systems across the U.S. as of 2020. Information includes project name, location, augmentation type, capacity, year operational, treatment train, and source water type. References are included in this submission. As potable reuse facilities undergo expansions or upgrades, treatment trains and capacities are subject to change. Operational status may also change. Treatment trains listed are reported to the detail that the source provides. Type and doses of chemical post-treatment or chlorination is often not specified. Please see README section in spreadsheet for definitions of acronyms used.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Oxygen–Chlorine Chemisorption Scaling for Seawater Electrolysis on Transition Metals: The Role of Redox

To clarify what controls species oxidation selectivity in seawater electrolysis, density functional theory (DFT) is used to identify chemisorption enthalpy trends and scaling relations for the simplest relevant adsorbates (O, Cl, and H) on relevant surfaces of 3d transition metals, as well as Pd and Pt, in face-centered-cubic and, if different, their ground-state crystal structures. Approximations are tested for electron exchange-correlation (XC) and van der Waals interactions to assess their ability to reproduce experimental adsorption enthalpies of H and O on Pt(111). The vdW-uncorrected generalized gradient approximation to XC of Perdew, Burke, and Ernzerhof (PBE) agrees most closely with experiments. Using DFT-PBE thereafter, it is determined that the O chemisorption enthalpy on this wide range of transition-metal surfaces is proportional to the sum of first and second atomic ionization energies, akin to a Born–Haber cycle for a redox reaction, indicating that metal redox activity controls O chemisorption strength. Then it is shown that the O and Cl chemisorption enthalpies are strongly correlated, suggesting that the transition metals considered will oxidize unselectively water and Cl – . This strong correlation appears also for crystal reduction potentials of binary oxides and chlorides, indicating a fundamental challenge for future seawater electrode materials design.

08 HYDROGEN↗

Initial Neutronics Investigation of a Chlorine Salt-Based Breeder Blanket

Tritium breeding blankets within D-T-fueled fusion reactors contain lithium compounds and typically require neutron multiplier materials to achieve a tritium breeding ratio (TBR) consistent with self-sustaining operation. Liquid breeder blankets have some advantages over solid blankets, and previous blanket studies have investigated liquid metal as well as liquid salt–based blankets. Liquid salts have reduced magnetohydrodynamic effects as compared to liquid metals, but typically have a lower TBR. Recently, advanced fission reactor concepts have considered chloride-based salts in their design, and there is a significant amount of research work occurring to study these salts. Chloride salts have previously been considered for fusion reactors, but studies have typically found lower breeding ratios than for fluoride salts, such as 2(LiF)-BeF 2 (flibe) so they have not been further developed. In this work, we use a one-dimensional cylindrical radiation transport model of a conceptual tokamak fusion reactor to investigate the neutronics feasibility of using a chloride salt–based blanket that uses chlorine enriched in 37 Cl, which has both a low capture cross section and a substantial (n,2n) cross section. It is found that chloride salts (LiCl mixed with BeCl 2 and/or PbCl 2 ) can potentially achieve a ~3% to 5% higher TBR than fluoride molten salts, notably flibe, in the absence of a solid multiplier. Including a solid multiplier, however, does narrow this advantage, with TBRs estimated within ~1% of flibe with a 2-cm Be multiplier. Chloride salts can also reach lower melting points than flibe, potentially improving the scope for the use of reduced activation ferritic-martensitic steel as a structural material. There is substantial uncertainty in the calculations driven by limited thermochemical data for the Cl salts, plus cross-section uncertainties. The production of 36 Cl through 35 Cl(n,g) and 37 Cl(n,2n) has the potential to challenge the waste disposal rating of the blanket. Calculations indicate that, while this is not an immediate showstopper, this case depends upon the exact waste disposal rating criteria used for 36 Cl. Further work could reduce these uncertainties with improved thermochemical data, higher-fidelity modeling for downselected salts, and more refined waste disposal calculations and regulatory guidance. Lastly, it must be recognized that, as for all molten salts, corrosion and chemistry can present appreciable technical challenges that require further assessment in developing a practical blanket concept, and also that the enrichment of chlorine presents an additional technical and supply chain challenge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Palladium Single-Atom (In)Stability Under Aqueous Reductive Conditions

Here, we investigate the stability and performance of single-atom Pd on TiO 2 for the selective dechlorination of 4-chlorophenol. A challenge inherent to single atoms is their high surface free energy, which results in a tendency for the surface migration and aggregation of metal atoms. This work evaluates various factors affecting the stability of Pd single-atoms, including atomic dispersion, coordination environment, and substrate properties, under reductive aqueous conditions. The transition from single atoms to clusters vastly enhanced dechlorination kinetics without diminishing carbon–chlorine bond selectivity. X-ray absorption spectroscopy analysis using both in situ and ex situ conditions followed the dynamic transformation of single atoms into amorphous clusters, which consist of a unique unsaturated coordination environment and few nanometer diameter. Importantly, the intricate relationship between stability and performance underscores the vital role of detailed characterization to properly determine the true active species for dehalogenation reactions.

36 MATERIALS SCIENCE↗

Sputtering of silicon and its compounds in the electronic stopping region

Silicon, silicon dioxide, and silicon nitride have been sputtered with chlorine ions at 5 MeV and 20 MeV. While the yield from the silicon target was unmeasurably low, the insulating compounds exhibited the enhanced yields observed in other insulating targets. The yield follows the electronic stopping power and seems to be independent of the target's thermal properties. Some of the data suggest that the enhanced sputtering mechanism may be active in extremely thin films (not less than 3 monolayers).

Qiu, Y.↗

Correlating surface adsorbate configuration and electrochemical performance of IrO 2 during seawater-relevant electrolysis

Seawater electrolysis alleviates freshwater demand to produce clean hydrogen while eliminating the need for water purification steps. The anodic process, seawater oxidation, typically requires high overpotentials and yields low selectivity to oxygen via the oxygen evolution reaction (OER), primarily due to the competing chlorine evolution reaction (CER) and hypochlorite evolution reaction (HCER) in pH-neutral conditions. Here, combining in situ surface-enhanced Raman characterization, grand canonical density functional theory-based calculations, and kinetic Monte Carlo simulations, we report the evolution of surface adsorbate configurations driven by applied potential and pH during seawater-relevant OER over IrO 2 , a highly OER-active and chloride-corrosion-resistant catalyst. As a result, the chemical properties of active sites, and thereby the kinetics of OER and CER/HCER, are effectively tuned. However, it is revealed that there is no optimal combination of potential and pH to achieve both high activity and high selectivity for seawater-relevant OER. To address this limitation, we establish a correlation between activity/selectivity and surface adsorbate configurations, enabling the optimization of highly active and OER-selective IrO 2 -based catalysts in seawater-relevant oxidation by modulating the local adsorbate environment of active sites.

08 HYDROGEN↗

Understanding Defect Activation and Kinetics in Next Generation CdTe Absorbers

This project investigated the role of defects and dopants in cadmium telluride (CdTe) solar cells to improve efficiency and long-term stability. Advanced X-ray microscopy and spectroscopy techniques were used to map composition, identify defect structures, and measure charge collection at the nanoscale. These experimental results were combined with computational modeling to understand how dopants such as copper and arsenic interact with other elements during processing. The study found that many dopants become electrically inactive due to the formation of complexes with chlorine and oxygen, limiting carrier concentration and device performance. It also showed that selenium, used to enhance efficiency, can migrate within the material during both manufacturing and operation, altering local structure and potentially affecting stability. The project developed new diagnostic and analysis tools for studying photovoltaic materials and provided a mechanistic understanding of key performance limitations. These insights support the development of more efficient, stable, and cost-effective CdTe solar technologies for large-scale energy deployment.

14 SOLAR ENERGY↗

Former Central Heat Plant SWMU 045 Year 2 Air Sparge System Performance Monitoring Report

This Air Sparge (AS) Performance Monitoring (PM) Report (PMR) presents Year 2 operation, maintenance, and monitoring (OM&M) activities, PM results, and monitoring well installations supporting the AS Interim Measure (IM) at the Former Central Heat Plant (CHP) at Kennedy Space Center (KSC), Florida. CHP has been designated Solid Waste Management Unit 045 under the KSC Resource Conservation and Recovery Act Corrective Action Program. An AS IM was installed at CHP between 2019 and 2021, which included the installation of an AS system to treat a chlorinated solvent groundwater plume. Contaminants of concern (COCs) identified at CHP for the AS IM include tetrachloroethene (PCE), trichloroethene (TCE), cis-1,2-dichloroethene (cDCE), and vinyl chloride (VC). The completed AS system includes a network of 267 AS wells, which treat approximately 1.3 acres of contaminated groundwater. “Hot” compressor technology is used to treat the source zone, while a “cold” compressor is used to treat two hot spot (HS) areas (HS1 and HS2) and the high concentration plume (HCP). The AS system began operation in June-July 2021 and this document includes Year 2 of operation. The overall runtimes for the AS system for the Year 2 reporting period (October 2022 to September 2023) were approximately 69 percent for the cold trailer and 71 percent for the hot trailer. Air samples and vapor screening results collected during the reporting period showed concentrations less than applicable human health and air emissions permit criteria. Groundwater performance monitoring results show that AS treatment continues to be effective in reducing COC concentrations at CHP. At the shallow interval, COC concentrations were all non-detect, less than, or met their respective State of Florida Groundwater Cleanup Target Levels (GCTLs) at the end of Year 2 in September 2023. In the deep interval, 10 of the 15 PM wells detected COCs greater than their respective GCTLs, with two of these wells also exceeding the Natural Attenuation Default Concentration for VC. Based on Year 2 OM&M and PM results, continued operation of the AS system is required to meet the IM objective. It is therefore recommended to continue with AS IM operations at CHP with the following plan for Year 3.

Kevin Alex Murphy↗

QSAR for cholinesterase inhibition by organophosphorus esters and CNDO/2 calculations for organophosphorus ester hydrolysis

Quantitative structure-activity relationships were derived for acetyl- and butyrylcholinesterase inhibition by various organophosphorus esters. Bimolecular inhibition rate constants correlate well with hydrophobic substituent constants, and with the presence or absence of catonic groups on the inhibitor, but not with steric substituent constants. CNDO/2 calculations were performed on a separate set of organophosphorus esters, RR'P(O)X, where R and R' are alkyl and/or alkoxy groups and X is fluorine, chlorine or a phenoxy group. For each subset with the same X, the CNDO-derived net atomic charge at the central phosphorus atom in the ester correlates well with the alkaline hydrolysis rate constant. For the whole set of esters with different X, two equations were derived that relate either charge and leaving group steric bulk, or orbital energy and bond order to the hydrogen hydrolysis rate constant.

Johnson, H.↗

Contractors Road Heavy Equipment Area (SWMU 055) 2022 Annual Groundwater Monitoring Report

This document presents a summary of activities completed at the Contractors Road Heavy Equipment (CRHE) Area, located at Kennedy Space Center (KSC), Florida, from June through December 2022. The activities conducted at the CRHE Area include: - Annual groundwater sampling activities associated with sitewide plume monitoring and Underground Injection Control (UIC) monitoring in the former bioremediation Interim Measures (IM) Hot Spot 1 (HS1) area; - Direct push technology (DPT) groundwater investigation; - Semiannual vapor intrusion (VI) evaluation activities. This facility is designated Solid Waste Management Unit (SWMU) Number 055 (SWMU 055) under KSC’s Resource Conservation and Recovery Act (RCRA) Corrective Action program. HydroGeoLogic, Inc. (HGL) prepared this report for the National Aeronautics and Space NASA) under contract number 80KSC019F0096/80KSC019D0012, Technical Directive-03. An Advance Data Package (ADP) presentation of the elements of this report received Team (KSCRT) agreement at the April 5, 2023, KSCRT meeting. The chlorinated volatile organic compound plume appears to be stable vertically and horizontally. Additional DPT groundwater sampling will be completed to support a remedial alternatives evaluation for potential means to expedite groundwater cleanup. There are per- and polyfluorinated alkyl substances in site groundwater, and assessment is planned in the future. Sub-slab soil gas monitoring results do not indicate any concerns with indoor vapor intrusion. Based on the 2022 annual groundwater sampling results, it is recommended that annual sampling continue to alternate with the wet and dry season, with the next sampling event planned for December 2023.

groundwater↗

Stratospheric ozone - Impact of human activity

The current knowledge of the chemistry of the stratosphere is reviewed, with particular consideration given to the measurements from the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment and from the Airborne Antarctic Ozone Experiment. Analysis of the ATMOS data at 30 deg N suggests that the current understanding of the contemporary-stratosphere chemistry at mid-latitudes is relatively complete, except for possible problems with the diurnal variations of N2O5 at low altitudes, and with ClNO3 at higher altitudes. Except for some difficulties with these two compounds, the data from ATMOS agree well with the gas phase models for nitrogen and chlorine species at 30 deg N in spring. It is emphasized that, in addition to the HOCl mechanism proposed by Solomon et al. (1986), the ClO-BrO scheme proposed by McElroy et al. (1986), and the ClO dimer mechanism introduced by Molina and Molina (1987), other processes exist that are responsible for ozone removal.

Mcelroy, Michael B.↗

QSAR for cholinesterase inhibition by organophosphorus esters and CNDO/2 calculations for organophosphorus ester hydrolysis

Quantitative structure-activity relationships were derived for acetyl- and butyrylcholinesterase inhibition by various organophosphorus esters. Bimolecular inhibition rate constants correlate well with hydrophobic substituent constants, and with the presence or absence of cationic groups on the inhibitor, but not with steric substituent constants. CNDO/2 calculations were performed on a separate set of organophosphorus esters, RR-primeP(O)X, where R and R-prime are alkyl and/or alkoxy groups and X is fluorine, chlorine or a phenoxy group. For each subset with the same X, the CNDO-derived net atomic charge at the central phosphorus atom in the ester correlates well with the alkaline hydrolysis rate constant. For the whole set of esters with different X, two equations were derived that relate either charge and leaving group steric bulk, or orbital energy and bond order to the hydrolysis rate constant.

Johnson, H.↗

An Overview of the SOLVE-THESEO 2000 Campaign

Between November 1999 and April 2000, two major field experiments, the SAGE III Ozone Loss and Validation Experiment (SOLVE) and the Third European Stratospheric Experiment on Ozone (THESEO 2000), collaborated to form the largest field campaign yet mounted to study Arctic ozone loss. This international campaign involved more than 500 scientists from over 20 countries spread across the high and mid-latitudes of the northern hemisphere. The main scientific aims of SOLVE-THESEO 2000 were to study (a) the processes leading to ozone loss in the Arctic vortex and (b) the effect on ozone amounts over northern mid-latitudes. The campaign included satellites, heavy lift balloon launches, 6 different aircraft, ground stations, and scores of ozone-sonde. Campaign activities were principally conducted in 3 intensive measurement phases centered on early December 1999, late January 2000, and early March 2000. Observations made during the campaign showed that temperatures were unusually cold in the polar lower stratosphere over the course of the 1999-2000 winter. These cold temperatures resulted in the formation of extensive polar stratospheric clouds (PSCs) across the Arctic. Heterogeneous chemical reactions on the surfaces of the PSC particles produced high levels of reactive chlorine within the polar vortex by early January. This reactive chlorine catalytically destroyed about 60% of the ozone in a layer near 20 km between late January and mid-March 2000.

Newman, Paul A.↗

Bioremediation Retrospective: DOE Experiences and Lessons Learned – 26131

The U.S. Department of Energy (DOE) has implemented bioremediation strategies for chlorinated volatile organic compounds (cVOCs) for more than three decades across multiple contaminated groundwater sites. A retrospective analysis conducted by the Savannah River National Laboratory (SRNL) and collaborating field sites evaluated the design, performance, and outcomes of bioremediation projects at DOE’s Savannah River, Hanford, Idaho, Mound, and Pinellas sites. This retrospective was based on a series of case studies, leveraging historical documentation and site interviews. Technical approaches employed at the various sites were explored, including active bioremediation, enhanced attenuation (EA), and monitored natural attenuation, with specific sub-sections discussing anaerobic, aerobic, and combined anaerobic-aerobic strategies. Each case study includes detailed descriptions of the site-specific conditions, deployment strategies, regulatory considerations, metrics, and performance. Key findings include general cost savings compared to traditional remedies such as pump and treat (P&T), significant success in applying enhanced attenuation to transition remedies toward a passive site management strategy, and documentation of robust subsurface microbial communities at most sites limiting the need for bioaugmentation. Challenges highlighted in the study include underperformance due to poor amendment delivery in low-permeability zones and unfavorable biogeochemical conditions, emphasizing the importance of site-specific designs. Cost analysis across DOE sites suggests bioremediation may offer long-term economic benefits. The retrospective study underscores valuable lessons that can help inform current and future bioremediation efforts.

Newby, Deborah T. [Savannah River National Laborat↗

Toxic Hazards Research Unit

The activities of the Toxic Hazards Research Unit (THRU) for the period of June 1970 through May 1971 reviewed. Modification of the animal exposure facilities primarily for improved human safety but also for experimental integrity and continuity are discussed. Acute toxicity experiments were conducted on hydrogen fluoride (HF), hydrogen chloride (HCl), nitrogen dioxide (NO2), and hydrogen cyanide (HCN) both singly and in combination with carbon dioxide (CO). Additional acute toxicity experiments were conducted on oxygen difluoride (OF2) and chlorine pentafluoride (ClF5). Subacute toxicity studies were conducted on methylisobutylketone and dichloromethane (methylene dichloride). The interim results of further chronic toxicity experiments on monomethylhydrazine (MMH) are also described.

Macewen, J. D.↗

Chemistry and transport in a three-dimensional stratospheric model - Chlorine species during a simulated stratospheric warming

The distributions in the stratosphere of a variety of chemical species were calculated for a 6-day period during the February 1979 stratospheric major warming, using winds derived from a spectral forecast model which included O(x), NO(x), HO(x), and ClO(x) chemistries as well as longitudinally varying reaction rate coefficients and photolysis rates for these molecules. The results obtained indicate a particular importance of chemistry and transport for the Cl-containing species ClO, ClONO2, HCl, and HOCl. Dynamical effects dominate the variability of HCl, while diurnal effects dominate that of ClONO2 and ClO. The effects of strong planetary wave activity may be seen in terms of large longitudinal variability of the total HCl and ClONO columns in the stratosphere; in the middle and high northern latitudes, it is sufficiently large to exceed the diurnal variability of the column.

Kaye, Jack A.↗

Monitored Natural Attenuation (MNA) Assessment for the Chemicals, Metals, and Pesticides (CMP) Pits Operable Unit (OU) and the Pen Branch Wetland

In October 2024, Savannah River National Laboratory (SRNL) was tasked to conduct an independent review of groundwater data and assess the monitored natural attenuation (MNA) performance related to the Chemicals, Metals, and Pesticides (CMP) Pits Operable Unit (OU) located in the central portion of the Savannah River Site (SRS). The SRNL assessment of MNA entailed an independent analysis of groundwater concentration data, groundwater elevation data, available surface water concentration data, soil concentration data, and relevant historical geological characterization logs for the CMP Pits OU. Historical data tables and records were obtained from both the Savannah River Nuclear Solutions - Area Completion Projects (SRNSACP) team and South Carolina State University (SCSU) and condensed into new data sets by the SRNL project team for more targeted analysis of MNA performance characteristics. All data pertaining to groundwater concentration, surface water concentration, and groundwater elevation were restricted to collection dates after any known active remediation for the CMP OU.

54 ENVIRONMENTAL SCIENCES↗

Preparation of a Bimetal Using Mechanical Alloying for Environmental or Industrial Use

Following the 1976 Toxic Substances Control Act ban on their manufacture, PCBs remain an environmental threat. PCBs are known to bio-accumulate and concentrate in fatty tissues. Further complications arise from the potential for contamination of commercial mixtures with other more toxic chlorinated compounds such as polychlorinated dibenzodioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs). Until recently, only one option was available for the treatment of PCB-contaminated materials: incineration. This may prove to be more detrimental to the environment than the PCBs themselves due to the potential for formation of PCDDs. Metals have been used for the past ten years for the remediation of halogenated solvents and other contaminants in the environment; however, zero-valent metals alone do not possess the activity required to dehalogenate PCBs. Palladium has been shown to act as an excellent catalyst for the dechlorination of PCBs with active metals. This invention is a method for the production of a palladium/magnesium bimetal capable of dechlorinating PCBs using mechanical milling/mechanical alloying. Other base metals and catalysts may also be alloyed together (e.g., nickel or zinc) to create a similarly functioning catalyst system. Several bimetal catalyst systems currently can be used for processes such as hydrogen peroxide synthesis, oxidation of ethane, selective oxidation, hydrogenation, and production of syngas for further conversion to clean fuels. The processes for making these bimetal catalysts often involve vapor deposition. This technology provides an alternative to vapor deposition that may provide equally active catalysts. A hydrogenation catalyst including a base material coated with a catalytic metal is made using mechanical milling techniques. The hydrogenation catalysts are used as an excellent catalyst for the dehalogenation of contaminated compounds and the remediation of other industrial compounds. The mechanical milling technique is simpler and cheaper than previously used methods for producing hydrogenation catalysts. Preferably, the hydrogenation catalyst is a bimetallic particle formed from a zero-valent iron or zero-valent magnesium particle coated with palladium that is impregnated onto a high-surface-area graphite support. The zero-valent metal particles should be microscale or nanoscale zero-valent magnesium or zero-valent iron particles. Other zero-valent metal particles and combinations may be used. Additionally, the base material may be selected from a variety of minerals including, but not limited to, alumina and zeolites. The catalytic metal is preferably selected from the group consisting of noble metals and transition metals, preferably palladium. The mechanical milling process includes milling the base material with a catalytic metal impregnated into a high-surface-area support to form the hydrogenation catalyst. In a preferred mechanical milling process, a zero-valent metal particle is provided as the base material, preferably having a particle size of less than about 10 microns, preferably 0.1 to 10 microns or smaller, prior to milling. The catalytic metal is supported on a conductive carbon support structure prior to milling. For example, palladium may be impregnated on a graphite support. Other support structures such as semiconductive metal oxides may also be used.

Quinn, Jacqueline↗