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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Dual-Fuel Ammonia Equivalence Ratio Sweep Data

Ammonia (NH3) has garnered significant interest as an alternative fuel for meeting international emissions reduction mandates in sectors with high weight and distance requirements, such as shipping. Technical barriers and unanswered questions remain on the combustion strategies that can maximize ammonia utilization and minimize emissions. Prior research studies at the US Department of Energy’s Oak Ridge National Laboratory have shown strong performance with NH3 under dual-fuel mode using conventional diesel combustion (CDC) manifold air pressure settings. Diesel airflow was initially used to simplify retrofitting (no turbocharger modification), which resulted in air-fuel equivalence ratios (λ) greater than 1.5. To characterize potential improvements in dual-fuel NH3 combustion performance at richer in-cylinder conditions, a global λ sweep compared the use of early (E-pilot) and late (L-pilot) single diesel injections. The experiments were conducted at 1200 RPM and 12.8 ± 0.2 bar (75 % load), and λ was varied by decreasing the commanded air flow to the engine at greater than 90 % ammonia energy substitution level. A diesel injection timing sweep was conducted for both the injection strategies at fixed λ, and the timing with the lowest engine-out N2O emissions was identified. The results indicated an optimal balance between CO2,eq and thermal efficiency benefits both E-pilot and L-pilot injection strategy cases compared with CDC at a λ of 1.4. The indicated nitrogen-based emissions exhibited a strong correlation to the ratio of CA5–50 and ignition delay for L-pilot, but no apparent trend emerged for the E-pilot injection strategy at the tested boundary conditions. This dataset includes the raw experimental data and documentation of the experiment conditions and methods.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Impact of environmental oxygen on nanoparticle formation and agglomeration in aluminum laser ablation plumes

Here, the role of ambient oxygen gas (O 2 ) on molecular and nanoparticle formation and agglomeration was studied in laser ablation plumes. As a lab-scale surrogate to a high explosion detonation event, nanosecond laser ablation of an aluminum alloy (AA6061) target was performed in atmospheric pressure conditions. Optical emission spectroscopy and two mass spectrometry techniques were used to monitor the early to late stages of plasma generation to track the evolution of atoms, molecules, clusters, nanoparticles, and agglomerates. The experiments were performed under atmospheric pressure air, atmospheric pressure nitrogen, and 20% and 5% O 2 (balance N 2 ), the latter specifically with in situ mass spectrometry. Electron microscopy was performed ex situ to identify crystal structure and elemental distributions in individual nanoparticles. We find that the presence of ≈20% O 2 leads to strong AlO emission, whereas in a flowing N 2 environment (with trace O 2 ), AlN and strong, unreacted Al emissions are present. In situ mass spectrometry reveals that as O 2 availability increases, Al oxide cluster size increases. Nanoparticle agglomerates formed in air are found to be larger than those formed under N 2 gas. High-resolution transmission electron microscopy demonstrates that Al 2 O 3 and AlN nanoparticle agglomerates are formed in both environments; indicating that the presence of trace O 2 can lead to Al 2 O 3 nanoparticle formation. The present results highlight that the availability of O 2 in the ambient gas significantly impacts spectral signatures, cluster size, and nanoparticle agglomeration behavior. These results are relevant to understanding debris formation in an explosion event, and interpreting data from forensic investigations.

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

Quantifying Drivers of Methane Hydrobiogeochemistry in a Tidal River Floodplain System

The influence of coastal ecosystems on global greenhouse gas (GHG) budgets and their response to increasing inundation and salinization remains poorly constrained. In this study, we have integrated an uncertainty quantification (UQ) and ensemble machine learning (ML) framework to identify and rank the most influential processes, properties, and conditions controlling methane behavior in a freshwater floodplain responding to recently restored seawater inundation. Our unique multivariate, multiyear, and multi-site dataset comprises tidal creek and floodplain porewater observations encompassing water level, salinity, pH, temperature, dissolved oxygen (DO), dissolved organic carbon (DOC), total dissolved nitrogen (TDN), partial pressure of carbon dioxide (pCO 2 ), nitrous oxide (pN 2 O), methane (pCH 4 ), and the stable isotopic composition of methane (δ 13 CH 4 ). Additionally, we incorporated topographical data, soil porosity, hydraulic conductivity, and water retention parameters for UQ analysis using a previously developed 3D variably saturated flow and transport floodplain model for a physical mechanistic understanding of factors influencing groundwater levels and salinity and, therefore, CH 4 . Principal component analysis revealed that groundwater level and salinity are the most significant predictors of overall biogeochemical variability. The ensemble ML models and UQ analyses identified DO, water level, salinity, and temperature as the most influential factors for porewater methane levels and indicated that approximately 80% of the total variability in hourly water levels and around 60% of the total variability in hourly salinity can be explained by permeability, creek water level, and two van Genuchten water retention function parameters: the air-entry suction parameter α and the pore size distribution parameter m. These findings provide insights on the physicochemical factors in methane behavior in coastal ecosystems and their representation in local- to global-scale Earth system models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Advanced Manufacturing of Alpha Double Prime Iron Nitride (ADPIN): An Innovative Rare Earth Element (REE) Free Ultra-High Performance Permanent Magnet for Clean Energy Applications

Iron nitride magnets offer the potential for large magnetic remanence magnets absent any rare earth materials [1]. This project was submitted in response to the funding opportunity announcement (FOA) from the Advanced Manufacturing Office (AMO) of the Office of Energy Efficiency & Renewable Energy (EERE) of the Department of Energy (DOE): DE-FOA-0001465: Advanced Manufacturing Projects for Emerging Research Exploration; Topic Area 1: Advanced Materials; Subtopic 1.1: Innovative Advanced Materials Manufacturing for Clean Energy to explore nitriding iron powder using a fluidized bed technique which if successful would accomplish nitriding the iron powder with reduce industrial energy intensity. Of particular concern when using metal powders at high temperatures in a fluidized bed reactor is the defluidization temperature of the bed, also known as the ‘bed collapse’ temperature. Above the defluidization temperature the metal powders can no longer fluidize and instead become an undesirable packed powder bed. Using the published results from the Institute of Process Engineering at the Chinese Academy of Sciences in Beijing, China, FeNix Magnetics was able to develop a spreadsheet calculation that allowed predictive guidelines for the defluidization temperature of iron powder based on the type of carrier gas, flow rate of the carrier gas, and the iron powder diameter. FeNix Magnetics was not able to conclude whether the temperatures to avoid bed defluidization that were achievable in a fluidized bed reactor actually resulted in nitriding the iron powder to the required level. In order to measure the amount of nitrogen in the iron powder, FeNix Magnetics contracted with the DOE sponsored Advanced Photon Source (APS) at Argonne National Laboratory to conduct X-Ray diffraction measurements. Unfortunately, due to COVID-19 restrictions, the DOE sponsored APS was closed and unable to provide X-Ray Diffraction measurements during this program.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Triboplasma assisted chemical conversion in granular systems: a semi-analytic model

We present a semi-analytic model for a novel plasma-assisted chemical conversion pathway using triboplasmas generated in granular flows. Triboelectric charge relaxation is a well known phenomena where the potential generated from contact charging of particles exceeds the breakdown voltage of the background gas. In this work, we extend the triboelectric charge relaxation theory to include non equilibrium plasma energy and particle balance equations to predict the formation of dissociated and excited species that act as precursors to chemical conversion, for example in plasma-assisted ammonia synthesis. Our example case study with nitrogen background gas and teflon/aluminum tribomaterial system yielded high excited nitrogen species densities per collision that are comparable to current plasma-assisted conversion pathways. We also present a regime diagram for various gases where Paschen breakdown parameters are used to determine whether triboplasmas can be formed for a given effective work-function difference between two materials. Our sensitivity studies indicate particle velocity, particle radius, solids fraction and space charge effects play a critical role in overall plasma densities and excited species production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Tool Chain for Simulations of Bi-Filar Coil Winding for Fast Quench Protection

The advancement of high-field magnets utilizing high-temperature superconductors (HTS) brings about complex challenges, especially in quench detection and protection. Traditional methods often fall short due to the inherently slow quench propagation in HTS materials. One promising approach to overcome this involves using a bifilar winding configuration, where two conductors are placed side by side. Under normal operation, they function in series, but during a quench event, they switch to an anti-parallel mode. This shift reduces the differential inductance of the coil to near zero, enabling rapid current oscillations through a capacitor discharge. The resulting high-frequency current flow leads to swift, uniform heating, triggering a full-coil quench within microseconds. Moreover, the strong mutual coupling between the two windings significantly reduces electrical noise in voltage measurements. In this work, we explore the viability of this concept by designing, constructing, and testing a REBCO bifilar racetrack coil in liquid nitrogen. We also present a validated simulation model that closely mirrors the coil's dynamic behavior under these conditions, aligning well with experimental observations.

Jayathilaka, Rehan [Northern Illinois U.]↗
DOE OSTI2026

Treatment of Lagoon Dairy Manure Wastewater via Iron Electrocoagulation, Microfiltration, and Adsorption

Dairy manure wastewater generated by flushing barn cow waste contains nutrients, pathogens, and organic and inorganic contaminants. This study utilized a process consisting of iron electrocoagulation (Fe-EC), microfiltration (MF), and activated carbon (AC) adsorption to treat farm wastewater and explore the reclamation of clean water for irrigation and livestock consumption. Significant removal (>99.9%) of chemical oxygen demand (COD), total organic carbon (TOC), phosphorus (P), turbidity, and microorganisms, as well as ions including magnesium, calcium, sulfur, and silica was achieved by the combined EC-MF-AC process. Specifically, a charge loading of ∼37,500 C/L in a continuous-flow EC configuration, followed by MF, achieved more than 95% removal of TOC and COD. Characterization of produced flocs and foam via scanning-electron microscopy with energy-dispersal spectroscopy and Fourier transform infrared spectroscopy confirmed the removal of ions, including calcium, sulfur, and silica. A key finding was the electrocatalytic conversion of nitrogen species to ammonia gas through the intermediate reduction of nitrate/nitrite, which led to ∼60% total nitrogen (TN) removal. AC treatment further improved TN removal to ∼70%. The Fe-EC process also eradicated >99.9% of bacteria. Preliminary process cost assessment, based on recycled materials for EC electrodes, showed significant cost savings (∼2 times) compared to commercial electrodes.

Dutta, Swapnamoy [ORNL]↗
DOE OSTI2023

Half-hard copper PTW model parameters for plastic deformation calibrated to strain rates from 10 −3 -10 7 /s

This document demonstrates a calibration of the Preston-Tonks-Wallace (PTW) model of plastic deformation that fairly accurately reproduces the flow stress of half-hard copper across strain rates varying by a factor of more than ten billion. The experiments included are quasistatic compression at low rates, Split Hopkinson Pressure Bar (SHPB) compression at intermediate rates, and arrested Richtmyer-Meshkov instability (RMI) growth at high strain rates. The temperatures vary from liquid nitrogen (77 K) to around 500 K. The largest true strains obtained are approximately 0.5. It would be interesting to compare the results to copper deformation data at higher pressures and higher strains.

36 MATERIALS SCIENCE↗
DOE OSTI2026

High-Rate, Selective Electrosynthesis of Cyclohexanone Oxime via In Situ Generation and Release of Hydroxylamine on Bismuth

Oxime compounds are key industrial intermediates for nylon precursors and commodity chemicals. However, conventional routes rely on multistep reactions and hydroxylamine (NH 2 OH) salts, raising significant safety and sustainability concerns. Although electrosynthesis offers an alternative, oxime formation on d-block transition metals suffers from poor selectivity, as nitrogen oxyanion intermediates bind strongly to the surface and are readily over-reduced to ammonia. Here, we report morphology-controlled p-block bismuth rhombic dodecahedra (Bi RDs) that promote in situ NH 2 OH generation and its desorption into the electrolyte, enabling an electrochemical-chemical decoupled route for cyclohexanone oxime (CHO) synthesis. Bi RDs deliver nearly 100% Faradaic efficiency (FE) at −0.5 V vs. RHE and a yield of 1.4 mmol h –1 cm –2 at −0.9 V vs. RHE in an H-cell, while maintaining a CHO selectivity of nearly 100% at 100 mA cm –2 in a flow cell. Under identical conditions, d-block electrodes (Cu, Pd, Ag) show FE below 30%. Density functional theory calculations reveal that Bi 6p orbital-derived surface states weaken intermediate binding and facilitate NH 2 OH desorption, suppressing over-reduction. Kinetic analysis, post-addition trapping experiments, and in situ ATR-FTIR and Raman spectroscopy suggest the following reaction mechanism: NH 2 OH is selectively generated at the electrode surface, released as a freely diffusing intermediate, and undergoes homogeneous condensation with cyclohexanone in the bulk electrolyte, bypassing the surface-confined Langmuir–Hinshelwood pathway. These findings demonstrate that regulating intermediate desorption through p-block orbital chemistry provides a general strategy for achieving high selectivity in electro-organic nitrogen synthesis.

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

Hexamethyldisiloxane pyrolysis: probing H-atom initiation by femtosecond two-photon LIF

Previous experiments have led to the hypothesis that pyrolysis of silica nanoparticle precursors carried in an inert central gas jet surrounded by a laminar flame is initiated not by thermal decomposition (the measured jet temperatures are too low for pyrolysis), but by reactions with H-atoms diffusing from the surrounding flame into the jet. The current work tests this hypothesis using femtosecond two-photon laser-induced fluorescence (fs-TPLIF) to image H-atom concentrations in the same flame configuration as the previous experiments. Methane flames (ϕ = 0.83, 1.01 and 1.13) were generated using a multi-element diffusion (Hencken) burner equipped with a central tube through which the N2 jet was introduced. The fs-TPLIF line imaging showed significant concentrations of H-atoms in the nitrogen jets at heights above the burner (HAB) close to the methane flame front. The measurements indicate radial diffusion of the H atoms from the flame to the jet is significant. The H-atom concentrations in the jet increased with increasing stoichiometry of the methane flame. Additional experiments were performed with hexamethyldisiloxane entrained in the central jet flow. In each case, a diffusion flame producing silica nanoparticles was established at the boundaries between the central jet and the methane flames. The 2D H-atom images showed a transition from over-ventilated diffusion flames to under-ventilated diffusion flames with increasing equivalence ratio. Furthermore, the fs-TPLIF profiles show a significant production of H-atoms within the jet when the surrounding flame is lean. This knowledge contributes to a deeper understanding of the underlying mechanisms governing these synthesis flame systems and opens avenues for advancing silica nanoparticle synthesis techniques.

Kim, Keunsoo↗
DOE OSTI2025

Ultracold cryogenic TEM with liquid helium and high stability

Cryogenic transmission electron microscopy has revolutionized structural biology and materials science. To image below liquid nitrogen temperatures, various liquid helium stages have been constructed but have proven to be complex and unstable, making high-resolution imaging challenging. This problem is even more pronounced in side-entry specimen holders common on modern transmission electron microscopes. Here, we introduce an ultracold liquid helium transmission electron microscope side-entry specimen holder, featuring continuous cryogen flow and vibration decoupling. This instrument is compatible with modern aberration-corrected microscopes and achieves sub-25 K base temperature, ±2 mK thermal stability over many hours, and atomic resolution—setting the stage for a new era of cryogenic electron microscopy.

42 ENGINEERING↗
DOE OSTI2021

Editorial: Forest Rhizosphere Interactions: Cascading Consequences for Ecosystem-Level Carbon and Nutrient Cycling

Mycorrhizal fungimine organicmatter and subsequently transfer plant-available nutrients to roots. While there is disagreement considering the role of mycorrhizal fungi in ecosystem carbon (C) and nutrient cycling relative to factors such as climate (Cotton, 2018; Bennett and Classen, 2020), soil nutrient availability (Brzostek et al., 2015; Frey, 2019), or host plant community composition (Read and Perez-Moreno, 2003), it is now clear that mycorrhizal fungal symbionts control a substantial proportion of C and nutrient flow belowground (Steidinger et al., 2019). Yet, determining the relative importance of arbuscular mycorrhizal (AM) and ectomycorrhizal (EM) fungi to these processes is still an open field of inquiry in ecosystemecology (Averill et al., 2019a) and earth system modeling (Sulman et al., 2019). At large scales, ecosystems dominated by EM fungi are thought to store more soil C per unit nitrogen (N) (Averill et al., 2014), have slower N cycles (Phillips et al., 2013), and respond more strongly to global change drivers such as N-deposition (Jo et al., 2019). However, it is unclear how generalizable these patterns are across sites, and plant and mycorrhizal taxa. If site or species-dependent relationships exist between mycorrhizal plants, fungi, and soil biogeochemical cycles, forecasting hot spots and hot moments of mycorrhizal fungal activities and their consistency across space and time would be evenmore challenging (Averill et al., 2019b; Kivlin and Hawkes, 2020).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Chemical influence of ammonia on suppressing soot formation pathways

There is interest in mixing ammonia (NH3) with hydrocarbons, as this decreases overall CO2 emissions from the fuel mixture when burned. Co-firing NH3 with hydrocarbons like methane (CH4) also enables stable combustion over a larger set of operating conditions in engines and gas turbines than firing only NH3 permits. When NH3 is co-fired with hydrocarbons, the influence of NH3 on soot formation chemistry becomes relevant. In this work, soot concentrations in laminar nonpremixed co-flow flames of NH3/CH4 and N2/CH4 were analyzed using color-ratio pyrometry. The concentrations of combustion species (CH4, CO2, H2O, O2, C2H2, C6H6, HCN) across the different flames were also determined using on-line electron-impact mass spectrometry. The flames were also interrogated with 2D CFD simulations, which employ a detailed chemical mechanism tailored to capturing fuel-nitrogen chemistry. Addition of NH3 to CH4 flames was found to decrease soot concentrations more significantly than N2-addition (Fig. 1). The NH3/CH4 flames were found to have higher flame temperatures than the N2/CH4 flames, implying the suppression of soot afforded by NH3 is due to a chemical influence of NH3, as opposed to thermal or dilution effects. Based on experimental and simulated soot volume fractions and species concentrations, soot formation pathways affected by NH3 are postulated.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Additively manufactured cryogenic microchannel distillation device for air separation

Abstract The efficiency of air separation is tested using three different small‐scale cryogenic distillation columns. The performance of a random packed column is compared to the performance of two microchannel distillation (MCD) columns that use thin wicking structures and gas flow channels to achieve process intensification. The MCD columns tested include a plate‐type layered column and an additively manufactured porous honeycomb (AMPH) column. For columns with 25.4 cm of active height and run under similar conditions, the packed, plate‐type layering, and AMPH columns achieved approximate height equivalent of a theoretical plate (HETP) values of 5.5, 3.7, and 3.2 cm for nitrogen, and 5.9, 4.9, and 3.3 cm for argon. The AMPH column can produce up to 0.4 SLM of more than 90% purity oxygen with 12 W of cooling lift. These results demonstrate the feasibility of using additive manufacturing to construct MCD devices and pave a way for constructing novel MCD designs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reduced diffusion and enhanced retention of multiple radionuclides from pore structure characterization of barrier materials for enhanced repository performance

Fluid flow and chemical transport in porous media are the macroscopic consequences of pore structure, which integrates geometry (e.g., pore size and surface area, pore-size distribution) and topology (e.g., pore connectivity). Low-permeability geological media whose pores are poorly interconnected will exhibit the characteristics of anomalous diffusion and sample size-dependent effective porosity, which will strongly impact long-term net diffusion and retention of radionuclides in geological repository settings involving different host rocks and barrier materials. A suite of innovative and complementary experimental approaches is utilized to study the microscopic pore structure and macroscopic fluid flow & chemical transport for a range of host rocks and barrier materials, in addition to standard clay minerals and reference rocks. With a particular focus on quantifying the presence and magnitude of “isolated” pores for a reduced effective porosity in low-permeability geomedia, the integrated methodologies for basic properties and pore structure characterization of these geomedia include X-ray diffraction, thin section petrography, grain size distribution, water immersion porosimetry after vacuum-pulling for full saturation, mercury intrusion porosimetry, nitrogen physisorption, scanning electron microscopy, X-ray computed tomography, and (ultra-)small angle neutron (X-ray) scattering. In addition, custom-designed gas diffusion, tracer recipe involving a range of anionic and cationic chemicals with subsequent analyses by laser ablation and inductively coupled plasma-mass spectrometry, along with batch sorption, column transport, and imbibition tests were conducted for coupled effects of pore structure and chemical retention/transport. From the perspectives of pore structure in conjunction with multiple and complementary approaches to examining a range of sample sizes under different observational scales, we find that the poor pore connectivity is prevalent in low-permeability media (mudstone and crystalline rock) that is related to geological processes (e.g., compaction, diagenesis and thermal maturation). For example, the deep and organic matter-rich mudstones have a much smaller effective porosity than the total porosity (as a result of poor pore connectivity) and associated diffusion coefficient, and the effective porosity & diffusion coefficients are also dependent upon the sample sizes used in the measurement. Similarly, most of the pore space in the shallow mudstone is also controlled by pore-throat diameters in the 5-50 nm range of intergranular pore types from its fine-grained nature, but with an overall good pore connectivity. However, the nm-sized pore space (physically pore-network architecture) and strong sorption capacities (chemical retention from clay minerals) of both shallow and deep mudstones lead to the synergistic retention of cationic radionuclides and their utilities as effective host rocks and barrier materials. Our unique approaches of studying how the micro-scale pore structure affect macro-scale fluid flow, diffusion & retention, and chemical transport produce improved mechanistic understanding, and realistic quantification, of diffusion and retention of typical radionuclides in a range of generic host rocks and barrier materials (clay/shale, salt, crystalline rock, and tuff), with the overall results leading to scientifically-based understanding of enhanced isolation (from both diffusion and retention) of radionuclides and improved confidence on the long-term performance of geological repository to store high-level radioactive wastes. In addition to the training of 25 undergraduates, graduates, and postdocs of UTA, the scientists (organizations) involved in performing this work (e.g., discussion, sample sharing, and operation of SANS and SAXS instruments) include Ed Matteo, Yifeng Wang, and Kristopher Kuhlman (Sandia National Laboratories), Jens Birkholzer, Liange Zheng, Tim Kneafsey, and Sharon Borglin (Lawrence Berkeley National Laboratory), Mavrik Zavarin (Lawrence Livermore National Laboratory), Yukio Tachi and Yuta Fukatsu (Japan Atomic Energy Agency), Mieke de Craen (Euridice, Belgium), Markus Bleuel (NIST), Wei-Ren Chen, Gergely Nagy, Changwoo Do, William Heller, Larry Anovitz, and Kenneth Littrell (ORNL), as well as Jan Illvsky, Ivan Kuzmenko, Ju-Sang Park and Jon Almers (ANL). Key deliverables include a total of 13 peer-reviewed journal articles (nine published and three under review), 23 presentations at scientific conferences (AAPG, AAPG Southwest Section, AGU, Asian Clay Conference, GSA, GSA South-Central Section, IHLRWM, InterPore, International Conference on Chemistry and Migration Behavior of Actinides and Fission Products in the Geosphere, International Conference on Coupled Processes in Fractured Geological Media: Observation, Modeling and Application), and academic institutions (UTA, New Mexico State University; University of Poitiers, France; University of Helsinki, Finland; Uppsala University, Sweden; Istanbul Technical University, Turkey) and other organizations (Andra, France; Posiva Oy, Finland).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Modulation of Uptake and Reactivity of Nitrogen Dioxide in Metal-Organic Framework Materials

We report the modulation of reactivity of nitrogen dioxide (NO 2 ) in a charged metal–organic framework (MOF) material, MFM-305-CH 3 in which unbound N-centres are methylated and the cationic charge counter-balanced by Cl - ions in the pores. Uptake of NO 2 into MFM-305-CH 3 leads to reaction between NO 2 and Cl - to give nitrosyl chloride (NOCl) and NO 3 - anions. A high dynamic uptake of 6.58 mmol g -1 at 298 K is observed for MFM-305-CH 3 as measured using a flow of 500 ppm NO 2 in He. In contrast, the analogous neutral material, MFM-305, shows a much lower uptake of 2.38 mmol g -1 . The binding domains and reactivity of adsorbed NO 2 molecules within MFM-305-CH 3 and MFM-305 have been probed using in situ synchrotron X-ray diffraction, inelastic neutron scattering and by electron paramagnetic resonance, high-field solid-state nuclear magnetic resonance and UV/Vis spectroscopies. The design of charged porous sorbents provides a new platform to control the reactivity of corrosive air pollutants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗