Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “nitrogen complexes”

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 703 records · Page 39

Comparison of Modeled to Measured Spectra using MCNP and GADRAS to Benchmark and Contrast Modeling Limitations

The desire to improve nuclear material detection through portal monitors and other low resolution detectors has led to interest in benchmarking the performance of radiation transport codes. These codes can be used to generate a variety and quantity of spectra that may be cost prohibitive to measure directly. Particular characteristics of typical detection scenarios were isolated to compare the performance of radiation transport codes to laboratory experiments. These benchmark experiments were performed to validate simulations in a number of key areas. These experiments included high areal density configurations in both one- and three-dimensional configurations. In addition, off-angle measurements were conducted to investigate the impact of detector response assumptions on complex geometries, for example where an unknown source is not physically collocated with an apparent hot spot. Furthermore, by examining both simple shielding and backscatter configurations, isolation of the scatter emanating from the object and environmental background scatter contributions to the spectra could be elucidated. A series of experiments were performed in which the order of shielding layers and the thickness were evaluated to examine the ability of the simulations to address these variables. Experiments with increasing thickness of polyethylene around a neutron source also allows for examinations of the ability of the transport simulations to properly model n,γ reactions. Finally, depleted uranium (DU) measurements have more complicated spectra than the cobalt-60 and consequently allow for investigations into the ability of transport simulations to model self-shielding. In each case, the results of the experiments were compared to MCNP simulations to judge the performance of the code, as was done previously with GADRAS 18.7.9 simulations [7]. All of the benchmark measurements were taken with a liquid nitrogen cooled 140% high purity germanium (HPGe) detector with a bismuth collimator that had the front tin filter removed. The measurement location and detector configuration were subsequently used for all experimental configurations. The remainder of this report details the experimental measurements, Section 2 and the MCNP model, Section 3. Comparisons between the experimental results and MCNP-generated spectra are performed, Section 4. Section 5 compares the results obtained with MCNP with the previously reported results obtained with GADRAS [2]. Finally, Section 6 presents the conclusions.

61 RADIATION PROTECTION AND DOSIMETRY↗

Co(salen)-Catalyzed Oxidation of Lignin Models to Form Benzoquinones and Benzaldehydes: A Computational and Experimental Study

Lignin is a highly abundant polyphenolic polymer that imparts mechanical strength to plant biomass. Transition-metal complexes can catalyze lignin oxidation to produce value-added products, but low catalytic efficiency has hampered their use in industry. Identifying the chemical and structural factors that govern catalytic activity is a prerequisite to rational design of catalysts with improved activity. In this study, we combine computational and experimental approaches to investigate the mechanism of Co(salen)-catalyzed oxidation of the monomeric lignin models syringyl (S), vanillyl (G), and 4-hydroxybenzyl alcohol (H) to produce benzoquinone and benzaldehyde products. Experimentally, S oxidation to form dimethoxybenzoquinone proceeded efficiently with a Co(salen) catalyst coordinated by a pyridine ligand, but G and H did not undergo oxidation. Density functional theory calculations reveal that catalyst regeneration is energetically unfavorable in the presence of H, which prevents oxidation. In contrast, S readily facilitates catalyst regeneration. Formation of methoxybenzoquinone from G was achieved experimentally by adding bulky, noncoordinating bases. These findings provide a fundamental baseline for enhancing the activity of Co-Schiff base catalysts toward lignin-like molecules by adding sterically hindered nitrogenous bases or potentially by including a cocatalyst that promotes catalyst regeneration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DVMDOSTEM v0.8.3: a terrestrial ecosystem model designed to represent arctic, boreal and permafrost ecosystem dynamics

The impacts of climate change on natural ecosystems are the result of complex physical and ecological processes operating and interacting at a variety of spatio-temporal scales, that can be represented in process-based ecosystem models. DVMDOSTEM is an advanced process-based terrestrial ecosystem model (TEM) designed to study ecosystem responses to climate changes and disturbances. It has a particular focus on permafrost regions (i.e. regions characterized by soils that stay partially frozen all year round for at least two consecutive years), encompassing boreal, arctic, and alpine landscapes. The model couples two previous versions of the Terrestrial Ecosystem Model (TEM) (McGuire et al., 1992): DVMTEM that includes a dynamic vegetation module (DVM) (E. S. Euskirchen et al., 2009), and DOSTEM that includes a dynamic organic soil module (DOS) (H. Genet et al., 2013; Yi et al., 2010). DVMDOSTEM simulates processes at yearly and monthly scales, with some physical processes operating at an even finer temporal resolution. Its versatility allows for site-specific to regional simulations, making it valuable for predicting shifts in permafrost, vegetation, and carbon (C) and nitrogen (N) dynamics. While DVMDOSTEM has been described in the methods sections of many manuscripts, this paper is the first stand alone description of DVMDOSTEM, independent of a particular scientific investigation.

Carman, Tobey B. [Univ. of Alaska, Fairbanks, AK (↗

Dual Glovebox Thermal Vacuum Chamber: Testing Capabilities for Spacesuit Arms and Gloves

The development of Extravehicular Activity (EVA) suits and hand mobility EVA tasks are complex, high risk, and difficult to test in a simulated space environment. During the early assembly of the International Space Station (ISS), the Crew and Thermal Systems Division (CTSD) at NASA Johnson Space Center (JSC) was tasked to design a chamber that could use two Extravehicular Mobility Unit (EMU) arms and gloves in a simulated space environment versus testing with a full suit. The Dual Glovebox (DGB) Chamber was built and served to help develop EVA tools and operations to assist with Return to Flight for the Space Shuttle after the Columbia accident. With the recent development of the Exploration Extravehicular Mobility Unit (xEMU) and new commercial suits through the Extravehicular Activities Services (xEVAS) contract, the DGB can support the need to do suit component testing at thermal extremes and EVA operations without the cost of full suit testing. The DGB can simulate realistic delta pressures, vacuum down to 5x10-4 Torr (0.066 Pa) with roughing and cryogenic pumps, and a wide range of temperatures achieved via a combination of Liquid Nitrogen (LN2), conditioned Gaseous Nitrogen (GN2), Infrared (IR) lamps, and heater cables. Recent developmental work has verified operational status of the chamber and expanded the capabilities of the DGB to include thermal contact testing of suit gloves through two temperature-controlled grab bars. This paper will discuss the history and capabilities of the DGB, and the chamber’s future role in the development of new spacesuit systems.

Extravehicular Activity (EVA)↗

Dual Glovebox Thermal Vacuum Chamber: Testing Capabilities for Spacesuit Arms and Gloves

The development of Extravehicular Activity (EVA) suits and hand mobility EVA tasks are complex, high risk, and difficult to test in a simulated space environment. During the early assembly of the International Space Station (ISS), the Crew and Thermal Systems Division (CTSD) at NASA Johnson Space Center (JSC) was tasked to design a chamber that could use two Extravehicular Mobility Unit (EMU) arms and gloves in a simulated space environment versus testing with a full suit. The Dual Glovebox (DGB) Chamber was built and served to help develop EVA tools and operations to assist with Return to Flight for the Space Shuttle after the Columbia accident. With the recent development of the Exploration Extravehicular Mobility Unit (xEMU) and new commercial suits through the Extravehicular Activities Services (xEVAS) contract, the DGB can support the need to do suit component testing at thermal extremes and EVA operations without the cost of full suit testing. The DGB can simulate realistic delta pressures, vacuum down to 5x10-4 Torr (0.066 Pa) with roughing and cryogenic pumps, and a wide range of temperatures achieved via a combination of Liquid Nitrogen (LN2), conditioned Gaseous Nitrogen (GN2), Infrared (IR) lamps, and heater cables. Recent developmental work has verified operational status of the chamber and expanded the capabilities of the DGB to include thermal contact testing of suit gloves through two temperature-controlled grab bars. This paper will discuss the history and capabilities of the DGB, and the chamber’s future role in the development of new spacesuit systems.

Extravehicular Activity (EVA)↗

Dual Glovebox Thermal Vacuum Chamber: Testing Capabilities for Spacesuit Arms and Gloves

The development of Extravehicular Activity (EVA) suits and hand mobility EVA tasks are complex, high risk, and difficult to test in a simulated space environment. During the early assembly of the International Space Station (ISS), the Crew and Thermal Systems Division (CTSD) at NASA Johnson Space Center (JSC) was tasked to design a chamber that could use two Extravehicular Mobility Unit (EMU) arms and gloves in a simulated space environment versus testing with a full suit. The Dual Glovebox (DGB) Chamber was built and served to help develop EVA tools and operations to assist with Return to Flight for the Space Shuttle after the Columbia accident. With the recent development of the Exploration Extravehicular Mobility Unit (xEMU) and new commercial suits through the Extravehicular Activities Services (xEVAS) contract, the DGB can support the need to do suit component testing at thermal extremes and EVA operations without the cost of full suit testing. The DGB can simulate realistic delta pressures, vacuum down to 5x10-4 Torr (0.066 Pa) with roughing and cryogenic pumps, and a wide range of temperatures achieved via a combination of Liquid Nitrogen (LN2), conditioned Gaseous Nitrogen (GN2), Infrared (IR) lamps, and heater cables. Recent developmental work has verified operational status of the chamber and expanded the capabilities of the DGB to include thermal contact testing of suit gloves through two temperature-controlled grab bars. This paper will discuss the history and capabilities of the DGB, and the chamber’s future role in the development of new spacesuit systems.

spacesuit arms↗

Genome-wide fitness profiling reveals molecular mechanisms that bacteria use to interact with Trichoderma atroviride exometabolites

Trichoderma spp. are ubiquitous rhizosphere fungi capable of producing several classes of secondary metabolites that can modify the dynamics of the plant-associated microbiome. However, the bacterial-fungal mechanisms that mediate these interactions have not been fully characterized. Here, a random barcode transposon-site sequencing (RB-TnSeq) approach was employed to identify bacterial genes important for fitness in the presence of Trichoderma atroviride exudates. We selected three rhizosphere bacteria with RB-TnSeq mutant libraries that can promote plant growth: the nitrogen fixers Klebsiella michiganensis M5aI and Herbaspirillum seropedicae SmR1, and Pseudomonas simiae WCS417. As a non-rhizosphere species, Pseudomonas putida KT2440 was also included. From the RB-TnSeq data, nitrogen-fixing bacteria competed mainly for iron and required the siderophore transport system TonB/ExbB for optimal fitness in the presence of T . atroviride exudates. In contrast, P . simiae and P . putida were highly dependent on mechanisms associated with membrane lipid modification that are required for resistance to cationic antimicrobial peptides (CAMPs). A mutant in the Hog1-MAP kinase (Δ tmk 3) gene of T . atroviride showed altered expression patterns of many nonribosomal peptide synthetase (NRPS) biosynthetic gene clusters with potential antibiotic activity. In contrast to exudates from wild-type T . atroviride , bacterial mutants containing lesions in genes associated with resistance to antibiotics did not show fitness defects when RB-TnSeq libraries were exposed to exudates from the Δ tmk3 mutant. Unexpectedly, exudates from wild-type T . atroviride and the Δ tmk 3 mutant rescued purine auxotrophic mutants of H . seropedicae , K . michiganensis and P . simiae . Metabolomic analysis on exudates from wild-type T . atroviride and the Δ tmk 3 mutant showed that both strains excrete purines and complex metabolites; functional Tmk3 is required to produce some of these metabolites. This study highlights the complex interplay between Trichoderma -metabolites and soil bacteria, revealing both beneficial and antagonistic effects, and underscoring the intricate and multifaceted nature of this relationship.

59 BASIC BIOLOGICAL SCIENCES↗

Probability of Decompression Sickness and Venous Gas Emboli from 49 NASA Hypobaric Chamber Tests with Reference to Exploration Atmosphere

Introduction: Decompression sickness (DCS) is a complex biophysical event; it combines human perception of pain, for instance, and the presence of a gas phase in the tissues. Living tissues are complex and dynamic. Micronuclei and later bubbles may or may not form given what appears to be the same conditions. Even when bubbles grow, symptoms may or may not develop under what appears to be the same conditions. Therefore, at this time it is appropriate to consider DCS as a probabilistic rather than a deterministic event. Methods: Probabilistic models about hypobaric DCS and venous gas emboli (VGE) require a large amount of quality research data, a definition of decompression dose using physical and physiologic variables, and a flexible analytical approach that can quantify the association between each outcome and all covariates of interest (assuming independence between DCS and VGE) and then ultimately be extended to acknowledge dependencies between DCS and VGE. Our DCS and VGE data are from 1,031 hypobaric decompressions from 1983 to 2016. A total of 577 humans participated in 49 hypobaric chamber tests to evaluate denitrogenation procedures used by astronauts in the Space Shuttle and International Space Station programs. We defined decompression dose as the ratio of computed nitrogen tension in a theoretical 360-minute half-time compartment to ambient pressure, which accounts for denitrogenation and exposure pressure as well as explanatory variables such as age, sex, body mass index, and the presence or absence of ambulation as part of exercise at the exposure pressure. A parametric survival model, using a log-logistic distribution, was used to quantify the time to development of DCS, VGE, and Grade IV VGE. Results: Our survival estimates are applicable to simple hypobaric decompressions, such as depressurizations in 5 to 30 minutes to exposure pressures between 4 and 10 pounds per square inch absolute (psia) and after minutes to hours of denitrogenation, either under resting or exercise conditions to accelerated denitrogenation. The regressions are applicable to exposures between 2 to 6 hours and under conditions of ambulation or no ambulation as part of exercise at the test pressure. We estimate that an exposure to 4.3 psia with simulated extravehicular activity (EVA) that includes ambulation after equilibration to the exploration atmosphere at 8.2 psia with a 34% oxygen atmosphere will result in 3.1% DCS (1.8% to 5.2 95% confidence interval), 23.2% VGE (16.7 to 31.2%), and 8.5% Grade IV VGE (4.7 to 14.7%) in equal samples of men and women exposed for 6 hours. Discussion: Probabilistic models for DCS, VGE, and Grade IV VGE can be used to inform those that plan future EVAs. Their applications are useful to quantify the risk of DCS and VGE in astronauts that perform EVAs in low-pressure space suits while in space or while exploring the surfaces of the moon or Mars.

Johnny Conkin↗

Reusable Reentry Satellite (RRS): Propulsion system trade study

The purpose of the Reusable Reentry Satellite (RRS) Propulsion System Trade Study described in this summary report was to investigate various propulsion options available for incorporation on the RRS and to select the option best suited for RRS application. The design requirements for the RRS propulsion system were driven by the total impulse requirements necessary to operate within the performance envelope specified in the RRS System Requirements Documents. These requirements were incorporated within the Design Reference Missions (DRM's) identified for use in this and other subsystem trade studies. This study investigated the following propulsion systems: solid rocket, monopropellant, bipropellant (monomethyl hydrazine and nitrogen tetroxide or MMH/NTO), dual-mode bipropellant (hydrazine and nitrogen tetroxide or N2H4/NTO), liquid oxygen and liquid hydrogen (LO2/LH2), and an advanced design propulsion system using SDI-developed components. A liquid monopropellant blowdown propulsion system was found to be best suited for meeting the RRS requirements and is recommended as the baseline system. This system was chosen because it is the simplest of all investigated, has the fewest components, and is the most cost effective. The monopropellant system meets all RRS performance requirements and has the capability to provide a very accurate deorbit burn which minimizes reentry dispersions. In addition, no new hardware qualification is required for a monopropellant system. Although the bipropellant systems offered some weight savings capability for missions requiring large deorbit velocities, the advantage of a lower mass system only applies if the total vehicle design can be reduced to allow a cheaper launch vehicle to be used. At the time of this trade study, the overall RRS weight budget and launch vehicle selection were not being driven by the propulsion system selection. Thus, the added cost and complexity of more advanced systems did not warrant application.

Source record↗

Biorefinery upgrading of herbaceous biomass to renewable hydrocarbon fuels, Part 1: Process modeling and mass balance analysis

Process simulation has long been a well-established tool to track key operational, design, and mass and energy balance metrics for pre-commercial technologies such as advanced lignocellulosic biofuels. While tools such as this are well-documented in the public literature around 2nd-generation cellulosic ethanol technologies (which have been scaled up to commercial deployment to some degree over the past decade), such models and analysis information remain more sparse for more complex biorefinery pathways focused on producing drop-in hydrocarbon fuels and blend-stocks, particularly regarding information required to support air emissions or other environmental analysis. In this work, we summarize key details for an established "design case" modeling the conversion of herbaceous lignocellulosic biomass into a renewable diesel hydrocarbon blend-stock based on a representative lipid pathway from oleaginous yeast. The process is based on a biochemical deconstruction and upgrading approach utilizing deacetylation and dilute acid pretreatment, followed by enzymatic hydrolysis, fermentation, and catalytic upgrading of hydrolysate sugars to fuels. We provide key mass and energy balance outputs from the process models, with accompanying stream tables and component-level flowrates. A total of 12 model scenarios are presented spanning two feedstocks, three biorefinery scales, and two processing approaches for the lignin/residual solids waste streams. This "Part 1" manuscript presents the resulting impacts across the 12 cases on fuel yields and key output streams, focused here on direct biorefinery air emissions for selected components including CO 2 as well as sulfur (SOx) and nitrogen oxides (NOx). In the context of cleaner production, the latter focus on selected biorefinery air emission outputs establishes an initial baseline estimate and accompanying framework of the model cases, upon which an accompanying "Part 2" study will build to refine the values for these and other air pollutants across these scenarios, also considering mitigation options to comply with applicable regulatory standards. We also highlight further optimization opportunities based on potential tradeoffs identified here between air emissions versus life-cycle greenhouse gas profiles attributed to the disposition of lignin/residual solids.

09 BIOMASS FUELS↗

Effect of amine type on acidic toxic gas adsorption at ambient conditions on modified CuBTC

We report two amine-modified copper-based Metal Organic Frameworks (MOF (CuBTC)) of different surface chemical and textural features were synthesized and used as adsorbents of acidic toxic gases (NO 2 and H 2 S) in both moist (71% relative humidity (R.H.)) and dry conditions. The initial and exhausted samples were characterized by nitrogen adsorption, powder X-ray diffraction, scanning electron microscopy, thermal gravimetric analysis and Fourier transform infrared spectroscopy. The addition of melamine prevented full growth of CuBTC crystals and resulted in amorphous-like particles with sizes less than 200 nm. The material was non-porous with a small surface area. When urea was used as an amine source, the resulting particles maintained the overall octahedral shape of the parent CuBTC MOF and the material was more porous than the parent MOF. While the urea-modified CuBTC sample performed well as an NO 2 adsorbent in the presence of moisture, the reactivity of the melamine-modified sample and its physical properties provided a favorable environment for the removal of H 2 S. The incorporation of amines into the MOF structure also resulted in surface defects /open copper sites that favored the removal of toxic gases in dry conditions. The reactivity of the adsorbents with toxic gases was demonstrated by the changes in the adsorbent colors, in texture, and in surface chemistry (organic salts, complexes, sulfides and nitrates were formed).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature Measurements in Hypersonic Wind Tunnels via Femtosecond Coherent Anti-Stokes Raman Scattering

A femtosecond coherent anti-Stokes Raman scattering (fs CARS) instrument is developed to perform gas-phase thermometry in cold-flow hypersonic wind tunnels. Measurements are reported for Mach 8 and 14 pure-nitrogen flows. The fs CARS instrument includes a 100 fs pump/Stokes pulse and a spectrally narrow probe pulse from a second harmonic bandwidth compressor. Important experimental considerations such as limits on the pump/Stokes pulse energy are discussed. The fs CARS focusing and collimating optics are mounted on a two-axis translation stage system to scan the measurement location during a 30 second wind tunnel run. Single-laser-shot rotational CARS spectra are recorded at the laser repetition rate of 1 kHz in the wind tunnel freestream and near simple cone models. Spectral fitting is used to determine quantitative gas temperatures. Freestream temperatures at Mach 8 and 14 spanned ranges of 40–75 and 35–50 K, respectively, depending on tunnel operating conditions. Temperature variations across the central 100 mm span of the wind tunnel were quantified. Measured temperature jumps across conical bow shocks from various models varied by less than 1% from predicted values. Hypersonic boundary layer measurements were demonstrated. In conclusion, these measurements illustrate the utility and robustness of this instrument for the study of complex fluid flow phenomena in challenging ground test facilities.

Aerodynamics↗

New High-Performance SiC Fiber Developed for Ceramic Composites

Sylramic-iBN fiber is a new type of small-diameter (10-mm) SiC fiber that was developed at the NASA Glenn Research Center and was recently given an R&D 100 Award for 2001. It is produced by subjecting commercially available Sylramic (Dow Corning, Midland, MI) SiC fibers, fabrics, or preforms to a specially designed high-temperature treatment in a controlled nitrogen environment for a specific time. It can be used in a variety of applications, but it currently has the greatest advantage as a reinforcement for SiC/SiC ceramic composites that are targeted for long-term structural applications at temperatures higher than the capability of metallic superalloys. The commercial Sylramic SiC fiber, which is the precursor for the Sylramic-iBN fiber, is produced by Dow Corning, Midland, Michigan. It is derived from polymers at low temperatures and then pyrolyzed and sintered at high temperatures using boron-containing sintering aids (ref. 1). The sintering process results in very strong fibers (>3 GPa) that are dense, oxygen-free, and nearly stoichiometric. They also display an optimum grain size that is beneficial for high tensile strength, good creep resistance, and good thermal conductivity (ref. 2). The NASA-developed treatment allows the excess boron in the bulk to diffuse to the fiber surface where it reacts with nitrogen to form an in situ boron nitride (BN) coating on the fiber surface (thus the product name of Sylramic-iBN fiber). The removal of boron from the fiber bulk allows the retention of high tensile strength while significantly improving creep resistance and electrical conductivity, and probably thermal conductivity since the grains are slightly larger and the grain boundaries cleaner (ref. 2). Also, as shown in the graph, these improvements allow the fiber to display the best rupture strength at high temperatures in air for any available SiC fiber. In addition, for CMC applications under oxidizing conditions, the formation of an in situ BN surface layer creates a more environmentally durable fiber surface not only because a more oxidation-resistant BN is formed, but also because this layer provides a physical barrier between contacting fibers with oxidation-prone SiC surface layers (refs. 3 and 4). This year, Glenn demonstrated that the in situ BN treatment can be applied simply to Sylramic fibers located within continuous multifiber tows, within woven fabric pieces, or even assembled into complex product shapes (preforms). SiC/SiC ceramic composite panels have been fabricated from Sylramic-iBN fabric and then tested at Glenn within the Ultra-Efficient Engine Technology Program. The test conditions were selected to simulate those experienced by hot-section components in advanced gas turbine engines. The results from testing at Glenn demonstrate all the benefits expected for the Sylramic-iBN fibers. That is, the composites displayed the best thermostructural performance in comparison to composites reinforced by Sylramic fibers and by all other currently available high-performance SiC fiber types (refs. 3 and 5). For these reasons, the Ultra-Efficient Engine Technology Program has selected the Sylramic-iBN fiber for ongoing efforts aimed at SiC/SiC engine component development.

DiCarlo, James A.↗

A portable fiber optic sensor for the luminescent sensing of cobalt ions using carbon dots

Cobalt is critical to energy-relevant technologies, and demand for cobalt will increase significantly with growing global adoption of renewables. However, supply chain stability is threatened by economic and geopolitical factors, incentivizing domestic cobalt production from alternative resources such as coal, coal utilization byproducts (e.g., ash, acid mine drainage) and electronic waste. Rapid, inexpensive, and portable characterization techniques are needed to reduce production costs associated with cobalt prospecting and process monitoring. Here, in this research, we develop a compact, portable fiber optic luminescent probe for cobalt using phosphorus and nitrogen co-doped carbon dots as the sensing material. The carbon dot emission overlaps well with the cobalt absorption band at ~510 nm, leading to a selective decrease in emission as a function of cobalt concentration. The system responds nearly instantly to the presence of cobalt, with detection limits of 0.7 and 3.5 ppm in water and pH 1.68 buffer, respectively, providing comparable performance to a commercial spectrometer at a significantly lower cost. Moreover, the sensor is selective for cobalt in the presence of 13 of the most common metal ions encountered in coal utilization byproducts and is responsive to cobalt when spiked into an acid mine drainage leachate sample, highlighting the sensor's potential for real-world deployment in challenging matrices. In addition, integrating the carbon dots with a filter paper substrate produced ‘test strip’ sensors that exhibited a selective and sensitive visual response to cobalt using a handheld UV lamp. Taken together, the sensing system represents a significant step forward in the development of low-cost practical sensors for high-value metals in complex streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impoverishing Roots Will Improve Wheat Yield and Profitability Through Increased Water and Nitrogen Use Efficiencies

We report that more than a 60% increase in crop production is required by the 2050's to feed a growing world population. Understanding how plant functional traits and field management affect crop yields has the potential to improve agricultural productivity, minimize economic and environmental losses, and maximize food security. We explored the influence of winter wheat root characteristics and management on winter wheat growth, yield, and profit using a mechanistic and well-tested ecosystem and crop model, ecosys. We applied and further tested ecosys at an agricultural farm growing winter wheat in Ardmore, Oklahoma, United States. The model accurately predicted observed shoot carbon (R 2 = 0.95), soil moisture (R 2 = 0.67), soil temperature (R 2 = 0.91), and yield (percent error = 17%). Numerical optimization experiments were conducted to explore potential improvements of winter wheat yield and profit by modifying root characteristics, including root radius and root:shoot carbon transfer conductance, and fertilizer inputs. Our results show the potential for simultaneously improving winter wheat yields and profits. The optimum conditions were found to be in the range of root radius between 0.1 and 0.3 mm, carbon transfer conductance between 0.004 and 0.01 h -1 , and the currently applied fertilizer rate of 112 kg ha -1 . Under these conditions, improvements in yields and profits of up to approximately 25% and 110%, respectively, were modeled compared to those under baseline root traits. These improvements were achieved by impoverishing root structures, thereby increasing nutrient allocation to grains. Our results also demonstrate and motivate model structures that integrate the complex network of plant physiology, soil nutrient biogeochemistry, hydrology, and management.

54 ENVIRONMENTAL SCIENCES↗

Modeling complex chemical effects in turbulent nonpremixed combustion

Virtually all of the energy derived from the consumption of combustibles occurs in systems which utilize turbulent fluid motion. Since combustion is largely related to the mixing of fluids and mixing processes are orders of magnitude more rapid when enhanced by turbulent motion, efficiency criteria dictate that chemically powered devices necessarily involve fluid turbulence. Where combustion occurs concurrently with mixing at an interface between two reactive fluid bodies, this mode of combustion is called nonpremixed combustion. This is distinct from premixed combustion where flame-fronts propagate into a homogeneous mixture of reactants. These two modes are limiting cases in the range of temporal lag between mixing of reactants and the onset of reaction. Nonpremixed combustion occurs where this lag tends to zero, while premixed combustion occurs where this lag tends to infinity. Many combustion processes are hybrids of these two extremes with finite non-zero lag times. Turbulent nonpremixed combustion is important from a practical standpoint because it occurs in gas fired boilers, furnaces, waste incinerators, diesel engines, gas turbine combustors, and afterburners etc. To a large extent, past development of these practical systems involved an empirical methodology. Presently, efficiency standards and emission regulations are being further tightened (Correa 1993), and empiricism has had to give way to more fundamental research in order to understand and effectively model practical combustion processes (Pope 1991). A key element in effective modeling of turbulent combustion is making use of a sufficiently detailed chemical kinetic mechanism. The prediction of pollutant emission such as oxides of nitrogen (NO(x)) and sulphur (SO(x)) unburned hydrocarbons, and particulates demands the use of detailed chemical mechanisms. It is essential that practical models for turbulent nonpremixed combustion are capable of handling large numbers of 'stiff' chemical species equations.

Smith, Nigel S. A.↗

Improving the Representation of Land Surface Processes using the Data Assimilation Research Testbed (DART)

The land surface is a critical part of the earth system as processes related to water, carbon, energy and nitrogen cycling have important implications for climate forcing, air quality, water availability and seasonal atmospheric forecasting. Despite advances in land surface modeling, land surface model performance is often limited because of errors related to initial and boundary conditions, model structure, and parameters. Data assimilation (DA) techniques combined with an expanding network of earth system observations present an opportunity to reduce these errors and improve simulations. Here we apply an Ensemble Kalman Filter DA system as part of the Data Assimilation Research Testbed to a variety of land surface simulations. First, we describe the use of remotely sensed biomass observations to provide improved simulations of plant phenology, carbon and water cycling for regions highly sensitive to climate change (Western US, China, and Arctic). We discuss approaches to account for systemic biases between models and observations, including the use of spatially-varying adaptive ensemble inflation as an alternative approach to re-scaling soil moisture observations. Finally, we discuss a strategy to incorporate complementary observations (snow water equivalent, solar-induced fluorescence) to better constrain the representation of carbon and water cycling across complex terrain.

DART↗

Optimisation of root traits to provide enhanced ecosystem services in agricultural systems: A focus on cover crops

Roots are the interface between the plant and the soil and play a central role in multiple ecosystem processes. With intensification of agricultural practices, rhizosphere processes are being disrupted and are causing degradation of the physical, chemical and biotic properties of soil. However, cover crops, a group of plants that provide ecosystem services, can be utilised during fallow periods or used as an intercrop to restore soil health. The effectiveness of ecosystem services provided by cover crops varies widely as very little breeding has occurred in these species. Improvement of ecosystem service performance is rarely considered as a breeding trait due to the complexities and challenges of belowground evaluation. Advancements in root phenotyping and genetic tools are critical in accelerating ecosystem service improvement in cover crops. In this study, we provide an overview of the range of belowground ecosystem services provided by cover crop roots: (1) soil structural remediation, (2) capture of soil resources and (3) maintenance of the rhizosphere and building of organic matter content. Based on the ecosystem services described, we outline current and promising phenotyping technologies and breeding strategies in cover crops that can enhance agricultural sustainability through improvement of root traits.

54 ENVIRONMENTAL SCIENCES↗