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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Soil gas probes for monitoring trace gas messengers of microbial activity

Abstract Soil microbes vigorously produce and consume gases that reflect active soil biogeochemical processes. Soil gas measurements are therefore a powerful tool to monitor microbial activity. Yet, the majority of soil gases lack non-disruptive subsurface measurement methods at spatiotemporal scales relevant to microbial processes and soil structure. To address this need, we developed a soil gas sampling system that uses novel diffusive soil probes and sample transfer approaches for high-resolution sampling from discrete subsurface regions. Probe sampling requires transferring soil gas samples to above-ground gas analyzers where concentrations and isotopologues are measured. Obtaining representative soil gas samples has historically required balancing disruption to soil gas composition with measurement frequency and analyzer volume demand. These considerations have limited attempts to quantify trace gas spatial concentration gradients and heterogeneity at scales relevant to the soil microbiome. Here, we describe our new flexible diffusive probe sampling system integrated with a modified, reduced volume trace gas analyzer and demonstrate its application for subsurface monitoring of biogeochemical cycling of nitrous oxide (N 2 O) and its site-specific isotopologues, methane, carbon dioxide, and nitric oxide in controlled soil columns. The sampling system observed reproducible responses of soil gas concentrations to manipulations of soil nutrients and redox state, providing a new window into the microbial response to these key environmental forcings. Using site-specific N 2 O isotopologues as indicators of microbial processes, we constrain the dynamics of in situ microbial activity. Unlocking trace gas messengers of microbial activity will complement -omics approaches, challenge subsurface models, and improve understanding of soil heterogeneity to disentangle interactive processes in the subsurface biome.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2022

Versatile soil gas concentration and isotope monitoring: optimization and integration of novel soil gas probes with online trace gas detection

Abstract. Gas concentrations and isotopic signatures can unveil microbial metabolisms and their responses to environmental changes in soil. Currently, few methods measure in situ soil trace gases such as the products of nitrogen and carbon cycling or volatile organic compounds (VOCs) that constrain microbial biochemical processes like nitrification, methanogenesis, respiration, and microbial communication. Versatile trace gas sampling systems that integrate soil probes with sensitive trace gas analyzers could fill this gap with in situ soil gas measurements that resolve spatial (centimeters) and temporal (minutes) patterns. We developed a system that integrates new porous and hydrophobic sintered polytetrafluoroethylene (sPTFE) diffusive soil gas probes that non-disruptively collect soil gas samples with a transfer system to direct gas from multiple probes to one or more central gas analyzer(s) such as laser and mass spectrometers. Here, we demonstrate the feasibility and versatility of this automated multiprobe system for soil gas measurements of isotopic ratios of nitrous oxide (δ18O, δ15N, and the 15N site preference of N2O), methane, carbon dioxide (δ13C), and VOCs. First, we used an inert silica matrix to challenge probe measurements under controlled gas conditions. By changing and controlling system flow parameters, including the probe flow rate, we optimized recovery of representative soil gas samples while reducing sampling artifacts on subsurface concentrations. Second, we used this system to provide a real-time window into the impact of environmental manipulation of irrigation and soil redox conditions on in situ N2O and VOC concentrations. Moreover, to reveal the dynamics in the stable isotope ratios of N2O (i.e., 14N14N16O, 14N15N16O, 15N14N16O, and 14N14N18O), we developed a new high-precision laser spectrometer with a reduced sample volume demand. Our integrated system – a tunable infrared laser direct absorption spectrometry (TILDAS) in parallel with Vocus proton transfer reaction mass spectrometry (PTR-MS), in line with sPTFE soil gas probes – successfully quantified isotopic signatures for N2O, CO2, and VOCs in real time as responses to changes in the dry–wetting cycle and redox conditions. Broadening the collection of trace gases that can be monitored in the subsurface is critical for monitoring biogeochemical cycles, ecosystem health, and management practices at scales relevant to the soil system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Trace gas detection with 2-photon, 2-color, cavity ring-down spectroscopy

In one aspect, a method of detecting a trace gas is disclosed. The method includes containing the trace gas in an optical cavity. The method further includes injecting a first laser light from a first laser into the optical cavity causing the trace gas to transition from an energy state lower that a first excited energy state to the first excited energy state, and injecting a second laser light from a second laser into the optical cavity causing the trace gas to transition from the first excited energy state to a second excited energy state. The method includes measuring, by a detector, a first cavity ringdown intensity as a function of time after turning off the second laser with the first laser on, and a second cavity ringdown intensity as a function of time after turning off the second laser with the first laser off.

McCartt, Daniel↗
DOE OSTI2019

A Library of Proton-Transfer Reactions of H{sub 3}O{sup +} Ions Used for Trace Gas Detection

We have collected data on the proton-transfer reactions with H{sub 3}O{sup +} ions for trace gas detection into an online and publicly available library. The library allows users of proton-transfer-reaction mass spectrometry (PTR-MS) and selected-ion flow-tube mass spectrometry (SIFT-MS) to look up at which m/z a trace gas of interest is detected. Vice versa, the library also allows looking up what trace gas may have been responsible for a product ion detected in PTR-MS and SIFT-MS. Finally, the library may serve as a dataset for further research on calculating instrument sensitivity and product-ion fragmentation, improving identification and quantification of newly detectable compounds as advances in instrumentation continue. To demonstrate the utility of the library, we present a brief analysis of product-ion fragmentation. We show that oxygenated organic compounds exhibit trends in neutral loss according to their functionality, and that on average neutral losses decrease the carbon number and increase the extent of unsaturation of product ions. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

A Kinetic Model for Predicting Trace Gas Uptake and Reaction

A model is developed to describe trace gas uptake and reaction with applications to aerosols and microdroplets. Gas uptake by the liquid is formulated as a coupled equilibria that links gas, surface, and bulk regions of the droplet or solution. Previously, this framework was used in explicit stochastic reaction-diffusion simulations to predict the reactive uptake kinetics of ozone with droplets containing aqueous aconitic acid, maleic acid, and sodium nitrite. With the use of prior data and simulation results, a new equation for the uptake coefficient is derived, which accounts for both surface and bulk reactions. Lambert W functions are used to obtain closed form solutions to the integrated rate laws for the multiphase kinetics; similar to previous expressions that describe Michaelis-Menten enzyme kinetics. Together these equations couple interface and bulk processes over a wide range of conditions and do not require many of the limiting assumptions needed to apply resistor model formulations to explain trace gas uptake and reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Enabling chip-scale trace gas sensing systems with silicon photonics

Tunable laser trace-gas spectroscopy has been effectively used in both environmental and medical applications, for its sensitivity and specificity. We’ll describe how contemporary silicon photonics manufacturing and assembly are leveraged for a cost-effective miniaturized spectroscopic sensor platform, and outline uses in fugitive methane emissions monitoring.

03 NATURAL GAS↗
DOE OSTI2016

Parameterization retrieval of trace gas volume mixing ratios from Airborne MAX-DOAS

We present a parameterization retrieval of volume mixing ratios (VMRs) from differential slant column density (dSCD) measurements by Airborne Multi-AXis Differential Optical Absorption Spectroscopy (AMAX-DOAS). The method makes use of the fact that horizontally recorded limb spectra (elevation angle 0°) are strongly sensitive to the atmospheric layer at instrument altitude. These limb spectra are analyzed using reference spectra that largely cancel out column contributions from above and below the instrument, so that the resulting limb dSCDs, i.e., the column integrated concentration with respect to a reference spectrum, are almost exclusively sensitive to the atmospheric layers around instrument altitude. The conversion of limb dSCDs into VMRs is then realized by calculating box air mass factors (Box-AMFs) for a Rayleigh atmosphere and applying a scaling factor constrained by O 4 dSCDs to account for aerosol extinction. An iterative VMR retrieval scheme corrects for trace gas profile shape effects. Benefits of this method are (1) a fast conversion that only requires the computation of Box-AMFs in a Rayleigh atmosphere; (2) neither local aerosol extinction nor the slant column density in the DOAS reference (SCD ref ) needs to be known; and (3) VMRs can be retrieved for every measurement point along a flight track, thus increasing statistics and adding flexibility to capture concentration gradients. Sensitivity studies are performed for bromine monoxide (BrO), iodine monoxide (IO) and nitrogen dioxide (NO 2 ), using (1) simulated dSCD data for different trace gas and aerosol profiles and (2) field measurements from the Tropical Ocean tRoposphere Exchange of Reactive halogen species and Oxygenated VOC (TORERO) field experiment. For simulated data in a Rayleigh atmosphere, the agreement between the VMR from the parameterization method (VMR para ) and the true VMR (VMR true ) is excellent for all trace gases. Offsets, slopes and R 2 values for the linear fit of VMR para over VMR true are, respectively (0.008 ± 0.001) pptv, 0.988 ± 0.001, 0.987 for BrO; (-0.0066 ± 0.0001) pptv, 1.0021 ± 0.0003, 0.9979 for IO; (-0.17 ± 0.03) pptv, 1.0036 ± 0.0001, 0.9997 for NO 2 . The agreement for atmospheres with aerosol shows comparable R 2 values to the Rayleigh case, but slopes deviate a bit more from one: (0.093 ± 0.002) pptv, 0.933 ± 0.002, 0.907 for BrO; (0.0021 ± 0.0004) pptv, 0.887 ± 0.001, 0.973 for IO; (8.5 ± 0.1) pptv, 0.8302 ± 0.0006, 0.9923 for NO 2 . VMR para from field data are further compared with optimal estimation retrievals (VMR OE ). Least orthogonal distance fit of the data give the following equations: BrO para = (0.1 ± 0.2) pptv + (0.95 ± 0.14) × BrO OE ; IO para = (0.01 ± 0.02) pptv + (1.00 ± 0.12) × IO OE ; NO 2para = (3.9 ± 2.5) pptv + (0.87 ± 0.15) × NO 2OE . Overall, we conclude that the parameterization retrieval is accurate with an uncertainty of 20 % for IO, 30 % for BrO and NO 2 , but not better than 0.05 pptv IO, 0.5 pptv BrO and 10 pptv NO 2 . Finally, the retrieval is applicable over a wide range of atmospheric conditions and measurement geometries and not limited to the interpretation of vertical profile measurements in the remote troposphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Year-round trace gas measurements in the central Arctic during the MOSAiC expedition

Despite the key role of the Arctic in the global Earth system, year-round in-situ atmospheric composition observations within the Arctic are sparse and mostly rely on measurements at ground-based coastal stations. Measurements of a suite of in-situ trace gases were performed in the central Arctic during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition. These observations give a comprehensive picture of year-round near-surface atmospheric abundances of key greenhouse and trace gases, i.e., carbon dioxide, methane, nitrous oxide, ozone, carbon monoxide, dimethylsulfide, sulfur dioxide, elemental mercury, and selected volatile organic compounds (VOCs). Redundancy in certain measurements supported continuity and permitted cross-evaluation and validation of the data. This paper gives an overview of the trace gas measurements conducted during MOSAiC and highlights the high quality of the monitoring activities. In addition, in the case of redundant measurements, merged datasets are provided and recommended for further use by the scientific community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Statistical Evaluation of WRF-LES Trace Gas Dispersion Using Project Prairie Grass Measurements

In recent years, new measurement systems have been deployed to monitor and quantify methane emissions from the natural gas sector. Large-eddy simulation (LES) has complemented measurement campaigns by serving as a controlled environment in which to study plume dynamics and sampling strategies. However, with few comparisons with controlled-release experiments, the accuracy of LES for modeling natural gas emissions is poorly characterized. In this paper, we evaluate LES from the Weather Research and Forecasting (WRF) Model against Project Prairie Grass campaign measurements and surface layer similarity theory. Using WRF-LES, we simulate continuous emissions from 30 near-surface trace gas sources in two stability regimes: strong convection and weak convection. We examine the impact of grid resolutions ranging from 6.25 to 52 m in the horizontal dimension on model results. We evaluate performance in a statistical framework, calculating fractional bias and conducting Welch’s t tests. WRF-LES accurately simulates observed surface concentrations at 100 m and beyond under strong convection; simulated concentrations pass t tests in this region irrespective of grid resolution. However, in weakly convective conditions with strong winds, WRF-LES substantially overpredicts concentrations—the magnitude of fractional bias often exceeds 30%, and all but one t test fails. The good performance of WRF-LES under strong convection correlates with agreement with local free convection theory and a minimal amount of parameterized turbulent kinetic energy. The poor performance under weak convection corresponds to misalignment with Monin–Obukhov similarity theory and a significant amount of parameterized turbulent kinetic energy.

17 WIND ENERGY↗
DOE OSTI2021

Vertical profiles of trace gas and aerosol properties over the eastern North Atlantic: variations with season and synoptic condition

Abstract. Because of their extensive coverage, marine low clouds greatly impact the global climate. Presently, the response of marine low clouds to the changes in atmospheric aerosols remains a major source of uncertainty in climate simulations. One key contribution to this large uncertainty derives from the poor understanding of the properties and processes of marine aerosols under natural conditions and the perturbation by anthropogenic emissions. The eastern North Atlantic (ENA) is a region of persistent but diverse subtropical marine boundary layer (MBL) clouds, where cloud albedo and precipitation are highly susceptible to perturbations in aerosol properties. Here we examine the key processes that drive the cloud condensation nuclei (CCN) population in the MBL using comprehensive characterizations of aerosol and trace gas vertical profiles during the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign. During ACE-ENA, a total of 39 research flights were conducted in the Azores: 20 during summer 2017 and 19 during winter 2018. During summer, long-range-transported aerosol layers were periodically observed in the lower free troposphere (FT), leading to elevated FT CCN concentrations (NCCN). Both biomass burning and pollution from North America contribute to submicron aerosol mass in these layers, with pollution likely the dominant contributor. In contrast, long-range transported continental emissions have a much weaker influence on the aerosol properties in the ENA during the winter season. While the entrainment of FT air is a major source of particle number in the MBL for both seasons, on average it does not serve as a direct source of CCN in the MBL because the average FT NCCN is the same or even lower than that in the MBL. The particle number flux due to FT entrainment is dominated by pre-CCN (particles that are too small to form cloud droplets under typical conditions, i.e., particles with sizes below the Hoppel minimum) due to the elevated Npre-CCN in the lower FT. Once these pre-CCN are entrained into the MBL, they can grow and reach CCN size range through condensational growth, representing an indirect and major source of MBL CCN in the ENA. The impact of synoptic conditions on the aerosol properties is examined. Under pre-front and post-front conditions, shallow convective activity often leads to a deep and decoupled boundary layer. Coalescence scavenging and evaporation of drizzle below clouds lead to reduced NCCN and larger accumulation-mode particle sizes in the upper cloud-containing decoupled layer, indicating that surface measurements overestimate the NCCN relevant to the formation of MBL clouds under decoupled conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Moving photoacoustic sources: Acoustic waveforms in one, two, and three dimensions and application to trace gas detection

The photoacoustic effect is governed by a wave equation with a source term proportional to the time derivative of the optical heat deposition per unit volume and time. Although the typical configuration for generation of the photoacoustic effect makes use of pulsed or amplitude modulated optical beams, the form of the source term in the wave equation indicates that a continuous optical source moving in an absorbing medium is capable of sound generation as well. Here, the properties of simple sources moving in one, two, and three space dimensions are reviewed. The salient feature of sources moving in one-dimension at sound speed is that the amplitude of the acoustic wave increases with time without bound according to linear acoustics. Finally, two schemes, one in the time-domain and the other in the frequency-domain, that take advantage of this principle for increasing the sensitivity of trace gas detection are reviewed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Methane Trace-Gas Sensing Enabled by Silicon Photonic Integration

Fugitive methane leaks occurring during extraction at typical natural gas wells have an adverse environmental impact due to the methane’s large radiative forcing, in addition to reducing the producer’s overall efficiency and cost. Mitigation of these concerns can benefit from cost-effective sensor nodes, performing reliable, rapid and continuous tracking of methane emissions. The efficacy of laser spectroscopy has been widely demonstrated in both environmental and medical applications due to its sensitivity and specificity to the target analyte. However, the present cost and lack of manufacturing scalability of traditional free-space optical systems can limit their viability for deployment in economical wide-area sensor networks. This presentation will review the development and performance of a cost-effective silicon photonic trace gas sensing platform that leverages silicon photonic waveguide and packaging technologies to perform on-chip evanescent field spectroscopy of methane.

03 NATURAL GAS↗
DOE OSTI2025

Summer Aerosol and Trace Gas Observations in Houston, Texas Using an Adaptable Mobile Facility

An aerosol container featuring a shared inlet system was deployed to Houston, Texas in July 2022, enabling direct, high-time-resolution in situ measurements of aerosols and trace gases. The internal rack system and floorplan was designed for adaptable modularity to elucidate aerosol physicochemical processes at fine scales. The design allowed for the deployment of a core instrument suite and additional customized research grade instruments. A heterogeneous mixture of aerosols was observed during three regimes: (1) intermittent black carbon (BC) and diurnal variations in aerosol chemical composition, (2) observed particle growth associated with SO 2 , (3) transported supermicron dust. The high variability of observed particles and gases in high time resolution indicated a complex urban area with multiple local and regional sources and processes. Particle growth rates of 7–16 nm/hr were observed for submicron particles during periods when SO 2 was >0.5 ppbv. Two periods of multi-day long-range transport events of dust from the African Sahara were observed in the supermicron and submicron particle modes with total mass concentrations up to 30 μg m −3 . Aerosol scattering angstrom exponents and extinction coefficients (B ext ) increased with humidity as a function of particle composition. The measurements demonstrate collaborative capabilities that can be used to increase observations of aerosol processing, microphysical and optical properties, internal mixing state, and supermicron aerosol that are not parameterized or missing in global Earth energy system models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Permafrost thaw driven changes in hydrology and vegetation cover increase trace gas emissions and climate forcing in Stordalen Mire from 1970 to 2014

Permafrost thaw increases active layer thickness, changes landscape hydrology and influences vegetation species composition. These changes alter belowground microbial and geochemical processes, affecting production, consumption and net emission rates of climate forcing trace gases. Net carbon dioxide (CO 2 ) and methane (CH 4 ) fluxes determine the radiative forcing contribution from these climate-sensitive ecosystems. Permafrost peatlands may be a mosaic of dry frozen hummocks, semi-thawed or perched sphagnum dominated areas, wet permafrost-free sedge dominated sites and open water ponds. We revisited estimates of climate forcing made for 1970 and 2000 for Stordalen Mire in northern Sweden and found the trend of increasing forcing continued into 2014. The Mire continued to transition from dry permafrost to sedge and open water areas, increasing by 100% and 35%, respectively, over the 45-year period, causing the net radiative forcing of Stordalen Mire to shift from negative to positive. This trend is driven by transitioning vegetation community composition, improved estimates of annual CO 2 and CH 4 exchange and a 22% increase in the IPCC's 100-year global warming potential (GWP_100) value for CH 4 . These results indicate that discontinuous permafrost ecosystems, while still remaining a net overall sink of C, can become a positive feedback to climate change on decadal timescales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Wildland Urban Interface (WUI) Emissions: Laboratory Measurement of Aerosol and Trace Gas from Combustion of Manufactured Building Materials

Wildfires are increasing in intensity and more often threatening the wildland urban interface (WUI) where buildings and homes coexist with the natural environment. WUI emissions have not been as well-studied as emissions from vegetation. Thus, there is a need to quantify the emissions of building materials used in home construction under flaming and smoldering conditions to study their impacts to human health, visibility, air quality, and climate. Here, in a controlled laboratory setting, we quantify emissions of aerosols and trace gases including formaldehyde, particulate matter, and black carbon. We focus on the combustion of traditional single-source wood-based construction fuels. Our results indicate that, similar to natural fuels, the aerosol optical properties were more related to combustion conditions than the fuel type. Overall, we observed significant variability in the gas and particle emissions. Consistent trends include high formaldehyde (HCHO) and carbon monoxide (CO) emissions for smoldering conditions and higher carbon dioxide (CO 2 ), nitrogen oxides (NO x ), and black carbon for flaming conditions. Finally, these observations highlight the need to better characterize emissions for materials in the built environment to assess large-scale climate and human health impacts of fires at the WUI.

54 ENVIRONMENTAL SCIENCES↗