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At least 325 records · Page 18

U.S. IMERG Status

The U.S. Science Team’s Integrated Multi-satellitE Retrievals for the Global Precipitation Measurement (GPM) mission (IMERG) product provides estimates of surface precipitation rate and related information on a global 0.1° half-hour grid. It is run three times at increasingly longer latency and higher information input to serve different communities. This presentation will briefly summarize the major upgrades included in Version 07. The Goddard Profiling (GPROF) algorithm (applied to passive microwave sensor data from the GPM virtual constellation) and the Combined Radar-Radiometer Algorithm (CORRA) that provide input to IMERG V07 are both improved, and the new Precipitation Estimation from Remotely Sensed Information Using Artificial Neural Networks–Dynamic Infrared Rain Rate (PDIR) algorithm is being applied to infrared data, which employs an additional, warmer infrared temperature threshold than the previous infrared scheme and a deep neural network. V07 has improved bias performance as a result of calibrations that now employ the entire swath widths of CORRA and GPROF GPM Microwave Imager precipitation estimates. As well, time continuity in precipitation features is improved as a result of changes to the Kalman filter that approximately preserve the local histogram of precipitation rates (Scheme for Histogram Adjustment with Ranked Precipitation Estimates in the Neighborhood, or SHARPEN), and that better account for differences in sensor performance. A long-standing bug in the geolocation that shifted grid values 0.1° to the east in the latitude band 70°N-S has been corrected. Other changes in V07 include a hierarchical selection among motion vector sources to address deficiencies in the precipitation propagation near orography, an update to the precipitation phase specification for improved consistency with current inputs, and a renewed effort to implement climatological gauge adjustment to the near-real-time Runs. Early evaluations of V07 IMERG show interesting behavior across the TRMM orbit boost that is highly relevant to the planned orbit boost for the GPM Core observatory.

GPM↗

Lessons Learned in the Selection and Development of Test Cases for the Aeroelastic Prediction Workshop: Rectangular Supercritical Wing

The Aeroelastic Prediction Workshop brought together an international community of computational fluid dynamicists as a step in defining the state of the art in computational aeroelasticity. The Rectangular Supercritical Wing (RSW) was chosen as the first configuration to study due to its geometric simplicity, perceived simple flow field at transonic conditions and availability of an experimental data set containing forced oscillation response data. Six teams performed analyses of the RSW; they used Reynolds-Averaged Navier-Stokes flow solvers exercised assuming that the wing had a rigid structure. Both steady-state and forced oscillation computations were performed by each team. The results of these calculations were compared with each other and with the experimental data. The steady-state results from the computations capture many of the flow features of a classical supercritical airfoil pressure distribution. The most dominant feature of the oscillatory results is the upper surface shock dynamics. Substantial variations were observed among the computational solutions as well as differences relative to the experimental data. Contributing issues to these differences include substantial wind tunnel wall effects and diverse choices in the analysis parameters.

Heeg, Jennifer↗

A High-Speed, Event-Driven, Active Pixel Sensor Readout for Photon-Counting Microchannel Plate Detectors

Silicon array readouts for microchannel plate intensifiers offer several attractive features. In this class of detector, the electron cloud output of the MCP intensifier is converted to visible light by a phosphor; that light is then fiber-optically coupled to the silicon array. In photon-counting mode, the resulting light splashes on the silicon array are recognized and centroided to fractional pixel accuracy by off-chip electronics. This process can result in very high (MCP-limited) spatial resolution for the readout while operating at a modest MCP gain (desirable for dynamic range and long term stability). The principal limitation of intensified CCD systems of this type is their severely limited local dynamic range, as accurate photon counting is achieved only if there are not overlapping event splashes within the frame time of the device. This problem can be ameliorated somewhat by processing events only in pre-selected windows of interest or by using an addressable charge injection device (CID) for the readout array. We are currently pursuing the development of an intriguing alternative readout concept based on using an event-driven CMOS Active Pixel Sensor. APS technology permits the incorporation of discriminator circuitry within each pixel. When coupled with suitable CMOS logic outside the array area, the discriminator circuitry can be used to trigger the readout of small sub-array windows only when and where an event splash has been detected, completely eliminating the local dynamic range problem, while achieving a high global count rate capability and maintaining high spatial resolution. We elaborate on this concept and present our progress toward implementing an event-driven APS readout.

Kimble, Randy A.↗

Human Settlements in the South-Central U.S., Viewed at Night from the International Space Station

A recent innovation of astronauts observing Earth from the International Space Station (ISS) is documenting human footprints by photographing city lights at night time. One of the earliest night-time images from the ISS was the US-Mexico border at El Paso-Ciudad Juarez. The colors, patterns and density of city lights document the differences in the cultural settlement patterns across the border region, as well as within the urban areas themselves. City lights help outline the most populated areas in settlements around the world, and can be used to explore relative population densities, changing patterns of urban/suburban development, transportation networks, spatial relationship to geographic features, and more. The data also provides insight into parameters such as surface roughness for input into local and regional climate modeling and studies of light pollution. The ground resolution of night-time astronaut photography from the ISS is typically an order of magnitude greater than current Defense Meteorological Satellite Program (DMSP) data, and therefore can serve as a "zoom lens" for selected urban areas. Current handheld digital cameras in use on the ISS, optimized for greater light sensitivity, provide opportunities to obtain new detailed imagery of atmospheric phenomena such as airglow, aurora, and noctilucent clouds in addition to documenting urban patterns. ISS astronauts have taken advantage of increasingly sensitive digital cameras to document the world at night in unprecedented detail. In addition, the capability to obtain time-lapse imagery from fixed cameras has been exploited to produce dynamic videos of both changing surface patterns around the world and atmospheric phenomena. We will profile some spectacular images of human settlements over the South-Central U.S., and contrast with other images from around the world. More data can be viewed at http://eol.jsc.nasa.gov/Videos/CrewEarthObservationsVideos/. US-Mexico border is obvious by the different lighting pattern. Not surprisingly, the densely illuminated city of Juarez indicates a higher population; El Paso's smaller population is spread out over a larger area.

Dawson, Melissa↗

Evaluation and comparison of ERTS measurements of major crops and soil associations for selected sites in the central United States

The author has identified the following significant results. The most significant result was the use of the temporal overlay technique where the computer was used to overlay ERTS-1 data from three different dates (9 Oct., 14 Nov., 2 Dec.). The registration of MSS digital data from different dates was estimated to be accurate within one half resolution element. The temporal overlay capability provides a significant advance in machine-processing of MSS data. It is no longer essential to go through the tedious exercise of locating ground observation sites on the digital data from each ERTS-1 overpass. Once the address of a ground observation site has been located on a digital tape from any ERTS-1 overpass, the overlay technique can be used to locate the same address on a digital tape of MSS data from any other ERTS-1 pass over the same area. The temporal overlay technique also adds a valuable dimension for identifying and mapping changes in vegetation, water, and other dynamic surface features.

Baumgardner, M. F.↗

Electroconvection near an ion-selective surface with Butler–Volmer kinetics

We study the effects of interfacial kinetics on the electro-hydrodynamics of ion transport near an ion-selective surface using a combination of linear stability analysis and numerical simulation. The finite kinetics of the electrolyte–electrode interface affects the ion transfer and electroconvection in many ways. On a surface of fixed topography, such as a metal surface of slow and stable ion deposition or covered by a polymer membrane, the finite kinetics reduces the current in one-dimensional ion diffusion/migration, increases the critical voltage for the onset of the electroconvective instability, changes the dynamics of the electroconvection and the overlimiting current, and enhances the lateral ion diffusion within the interfacial layer. The first three effects are indirectly caused by the reaction kinetics and can be characterized by an effective voltage difference across the liquid electrolyte. In comparison, the last effect is controlled by a direct interplay between kinetics and nonlinear electroconvection. Scaling laws for ion transport and features of electroconvection are proposed. We also analyse the linear stability of a surface which evolves under ion deposition and find that the finite kinetics decreases the growth rate of both electroconvective and morphological instabilities and therefore modifies the wavenumber of the most unstable mode.

Mechanics↗

Turbomachinery Course

In this viewgraph presentation, information and diagrams are provided on rocket engine turbopumps. These turbomachines are highly complex and have several unique features: (1) They are generally very high power density machines; (2) They experience high fluid dynamic loads; (3) They are exposed to severe thermal shocks in terms of rapid starts and stops and extremely high heat transfer coefficients; (4) They have stringent suction performance requirements to minimize tank weight; (5) Their working fluids significantly impact the design: oxidizers are generally explosive, they afford almost no lubrication for bearings and seals, some fuels can degrade material properties, cryogenics result in severe thermal gradients; (6) Their life requirements are short relative to other turbomachines in that there are hundreds of cycles and a few hours of operation for reusable systems. The design of rocket engine turbomachines is a systems engineering challenge because multiple engineering disciplines must be integrated to deal with issues pertaining to stress, structural dynamics, hydrodynamics, aerodynamics, thermodynamics, and materials and process selection.

Stinson, Henry↗

Ultradynamic Isoreticularly Expanded Porous Organic Crystals

Porous organic materials showcasing large framework dynamics present new paths for adsorption and separation with enhanced capacity and selectivity beyond the size-sieving limits, which is attributed to their guest-responsive sorption behaviors. Porous hydrogen-bonded crosslinked organic frameworks (H C OFs) are attractive for their remarkable ability to undergo guest-triggered expansion and contraction facilitated by their flexible covalent crosslinkages. However, the voids of H C OFs remain limited, which restrains the extent of the framework dynamics. Here in this work, we synthesized a series of H C OFs characterized by unprecedented size expansion capabilities induced by solvents. These H C OFs were constructed by isoreticularly co-crystallizing two complementary sets of hydrogen bonding building blocks to generate porous molecular crystals, which were crosslinked through thiol–ene/yne single-crystal-to-single-crystal transformations. The generated H C OFs exhibit enhanced chemical durability, high crystallinity, and extraordinary framework dynamics. For instance, H C OF-104 crystals featuring a pore diameter of 13.6 Å expanded in DMF to 300 ± 10% of their original lengths within just 1 min. This expansion allows the HCOFs to adsorb guest molecules that are significantly larger than the pore sizes of their crystalline states. Through methanol-induced contraction, these large guests were encapsulated in the fast-contracted H C OFs. These advancements in porous framework dynamics pave the way for new methods of encapsulating guests for targeted delivery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tracking Blade Tip Vortices for Numerical Flow Simulations of Hovering Rotorcraft

Blade tip vortices generated by a helicopter rotor blade are a major source of rotor noise and airframe vibration. This occurs when a vortex passes closely by, and interacts with, a rotor blade. The accurate prediction of Blade Vortex Interaction (BVI) continues to be a challenge for Computational Fluid Dynamics (CFD). Though considerable research has been devoted to BVI noise reduction and experimental techniques for measuring the blade tip vortices in a wind tunnel, there are only a handful of post-processing tools available for extracting vortex core lines from CFD simulation data. In order to calculate the vortex core radius, most of these tools require the user to manually select a vortex core to perform the calculation. Furthermore, none of them provide the capability to track the growth of a vortex core, which is a measure of how quickly the vortex diffuses over time. This paper introduces an automated approach for tracking the core growth of a blade tip vortex from CFD simulations of rotorcraft in hover. The proposed approach offers an effective method for the quantification and visualization of blade tip vortices in helicopter rotor wakes. Keywords: vortex core, feature extraction, CFD, numerical flow visualization

Numerical↗

An Impact Ejecta Behavior Model for Small, Irregular Bodies

In recent years, spacecraft observations of asteroids 951 Gaspra, 243 Ida, 253 Mathilde, and 433 Eros have shown the overriding dominance of impact processes with regard to the structure and surface morphology of these small, irregular bodies. In particular, impact ejecta play an important role in regolith formation, ranging from small particles to large blocks, as well as surface feature modification and obscuration. To investigate these processes, a numerical model has been developed based upon the impact ejecta scaling laws provided by Housen, Schmidt, and Holsapple, and modified to more properly simulate the late-stage ejection velocities and ejecta plume shape changes (ejection angle variations) shown in impact cratering experiments. A target strength parameter has also been added to allow the simulation of strength-dominated cratering events in addition to the more familiar gravity-dominated cratering events. The result is a dynamical simulation which models -- via tracer particles -- the ejecta plume behavior, ejecta blanket placement, and impact crater area resulting from a specified impact on an irregularly shaped target body, which is modeled in 3-dimensional polygon fashion. This target body can be placed in a simple rotation state about one of its principal axes, with the impact site and projectile/target parameters selected by the user. The gravitational force from the irregular target body (on each tracer particle) is determined using the polygonized surface (polyhedron) gravity technique developed by Werner.

Richardson, J. E.↗

Prediction of Silicon Content in a Blast Furnace via Machine Learning: A Comprehensive Processing and Modeling Pipeline

Silicon content plays an important role in determining the operational efficiency of blast furnaces (BFs) and their downstream processes in integrated steelmaking; however, existing sampling methods and first-principles models are somewhat limited in their capability and flexibility. Current data-based prediction models primarily rely on a limited set of manually selected furnace parameters. Additionally, different BFs present a diverse set of operating parameters and state variables that are known to directly influence the hot metal’s silicon content, such as fuel injection, blast temperature, and raw material charge composition, among other process variables that have their own impacts. The expansiveness of the parameter set adds complexity to parameter selection and processing. This highlights the need for a comprehensive methodology to integrate and select from all relevant parameters for accurate silicon content prediction. Providing accurate silicon content predictions would enable operators to adjust furnace conditions dynamically, improving safety and reducing economic risk. To address these issues, a two-stage approach is proposed. First, a generalized data processing scheme is proposed to accommodate diverse furnace parameters. Second, a robust modeling pipeline is used to establish a machine learning (ML) model capable of predicting hot metal silicon content with reasonable accuracy. The method employed herein predicted the average Si content of the upcoming furnace cast with an accuracy of 91% among 200 target predictions for a specific furnace provisioned by the XGBoost model. This prediction is achieved using only the past shift’s operating conditions, which should be available in real time. This performance provides a strong baseline for the modeling approach with potential for further improvement through provision of real-time features.

Chemistry↗

Eastern European Science Needs Sweeping Changes

Sir - Two years ago your Editorial "Eastern Promise" (vol. 426, p.369, 2003) and the News Feature "Dreaming on Danube" (vol. 427, p.94-95,2004) as well as several subsequent correspondence letters (vol. 427, pp. 196 and 677, vol. 428, p.17) touched on the situation and potential growth in scientific research in the former Soviet block countries. I would like to revisit this topic. Right now the facts are sobering: while the average GNP per capita in those countries is a few times lower than the average for the rest of Europe, their average university ranking is another order of magnitude poorer (in the latest ARWU, of the first 123 European universities only 4, and that in the second half of the list only, are from the former Soviet block). That situation calls for drastic measures. Pumping extra money into the system would change little. The only real hope is in a new generation of young dynamic scientists setting the pace for academic life. That requires selection and promotion of the best of the best. Unfortunately much of the old guard, who is not up to scientific challenges of today and who attained their positions and influence under the old regime (often due to other than professional qualifications) resist any real changes. I believe that a major change for better could be achieved by implementation into law two key requirements: transparency and competitiveness. That means a transparency of every scientist achievements (particularly in terms of publications), and wide open and fair competition for academic positions. Those two conditions should be complemented by implementation of the position of academic ombudsman (to encourage/facilitate open discussions), special grant opportunities for young scientists, and transparency of the process of awarding research grants. I, as well as a number of my colleagues concerned with the future of science and higher education in Poland, discussing many important academic issues at the Independent Academic Forum (an Association with a non-commercial website, http://www.naukaedukacia. tubaza.pl/, with tens of thousands of visits last year), strongly believe that the above postulated changes in the academic environment would lead to a major improvement in the quality and standing of scientific research and higher education in Poland and other post-communist countries (which suffer similar problems). It is symptomatic that the voice of at least hundreds of the most active and usually younger scientists heard at our NFA forum is totally ignored by the old establishment and their decision making representatives who "know better". Major political and legislative decisions are called for. We are doing our best to press for such changes.

Palosz, Witold↗

Non-intrusive reduced-order modeling for dynamical systems with spatially localized features

This work presents a non-intrusive reduced-order modeling framework for dynamical systems with spatially localized features characterized by slow singular value decay. The proposed approach builds upon two existing methodologies for reduced and full-order non-intrusive modeling, namely Operator Inference (OpInf) and sparse Full-Order Model (sFOM) inference. We decompose the domain into two complementary subdomains that exhibit fast and slow singular value decay. The dynamics of the subdomain exhibiting slow singular value decay are learned with sFOM while the dynamics with intrinsically low dimensionality on the complementary subdomain are learned with OpInf. The resulting, coupled OpInf-sFOM formulation leverages the computational efficiency of OpInf and the high resolution of sFOM, and thus enables fast non-intrusive predictions for conditions beyond those sampled in the training data set. A novel regularization technique with a closed-form solution based on the Gershgorin disk theorem is introduced to promote stable sFOM and OpInf models. We also provide a data-driven indicator for subdomain selection and ensure solution smoothness over the interface via a post-processing interpolation step. We evaluate the efficiency of the approach in terms of offline and online speedup through a quantitative, parametric computational cost analysis. We demonstrate the coupled OpInf-sFOM formulation for two test cases: a one-dimensional Burgers’ model for which accurate predictions beyond the span of the training snapshots are presented, and a two-dimensional parametric model for the Pine Island Glacier ice thickness dynamics, for which the OpInf-sFOM model achieves an average prediction error on the order of 1% with an online speedup factor of approximately 8$\times$ compared to the numerical simulation.

42 ENGINEERING↗

Stability of Metal–Organic Framework-Supported Amines under Exposure to Ozone Generated from Air

Amine compounds supported on porous materials such as metal–organic frameworks (MOFs) have shown promising performance for direct air capture (DAC) due to their enhanced affinity for CO 2 . Although features such as adsorption capacity and selectivity are paramount in these composites, their long-term stability has a major impact on the operating cost of DAC systems. In this work, changes in carbon capture performance, crystallinity, porosity and chemical environment of the constituting atoms of MOF-amine composites are explored after exposure to ozone and NOx impurities generated from corona discharge applied to air. From the obtained results, the stabilities of Mg 2 (dobpdc) (dobpdc 4– = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) grafted with ethylenediamine (en), N-methylethylenediamine (men), and N,N-dimethylethylenediamine (dmen), as well as MIL-101(Cr) MOF impregnated with polyethylenimine (PEI), are compared. A negative effect in the overall CO 2 adsorption capacity is observed for all MOF composites after exposure, as well as a decrease in the adsorption step pressure of CO 2 for Mg 2 (dobpdc) amine-grafted composites, as shown via dynamic gravimetric adsorption experiments. Spectroscopic analyses indicate that oxidation of amine groups through the formation of nitro functional groups occurs as well as a decrease in the electron-donation interaction between the supported amines and the metal nodes of the MOFs.

adsorption↗

On the integration of molecular dynamics, data science, and experiments for studying solvent effects on catalysis

Computational workflows that combine molecular dynamics (MD) simulations and emerging data-centric (DC) methods can accelerate the screening and analysis of solvent systems experimentally and computationally. Here, MD simulations provide atomic positions and velocities of reactant, solvent, and catalyst materials that can be manipulated into data representations that in turn can be used by DC techniques to conduct predictive modeling, feature extraction, and experimental design. For liquid-phase catalytic applications, emerging DC techniques such as Convolutional and Graph Neural Networks (CNN/GNN), Topological Data Analysis (TDA), and Active Learning (AL) can leverage MD and experimental data to quickly predict solvent effects on reaction outcomes. For instance, in recent studies, 3D solvent environments obtained with MD have been exploited by CNNs to predict experimental reaction rates for homogeneous acid-catalyzed lignocellulosic processes. In this perspective, we discuss basic principles of DC methods and how these can be combined with MD to enable high-throughput screening of solvent selection for diverse catalysis applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spin-State and Reorganization Energy Considerations for Metal-Centered Photoredox Catalysis

Transition-metal complexes featuring metal-centered excited states have recently emerged as mechanistically distinct platforms for selective photochemistry, including photoredox catalysis. Among these, Co(III) complexes have demonstrated productive photoinduced electron transfer via the 3 T 1 metal-centered state. In contrast, photoreactivity from the 5 T 2 metal-centered state in Fe(II) polypyridyl complexes remains limited. Building on our prior report concerning reactivity associated with the 5 T 2 state in [Fe(tren(py) 3 )] 2+ (tren(py) 3 = tris(2-pyridylmethyliminoethyl)-amine), we introduced stronger-field ligands in an effort to increase excited-state energies of Fe(II) polypyridyl complexes and enhance reactivity. Despite achieving nanosecond-scale excited-state lifetimes and favorable thermodynamic driving forces, no photoreactivity was observed. Reinvestigation of the observations previously reported for [Fe(tren(py) 3 )] 2+ revealed interactions between the metal complex and the substrate in their respective ground states that mimicked dynamic quenching of the chromophore, prompting a reassessment of mechanistic considerations inherent in leveraging reductive chemistry from the 5 T 2 excited state of Fe(II). Our analysis indicates that electron transfer from the 5 T 2 excited state of a low-spin d6 metal is subject to significant barriers both in terms of reorganization energies and spin conservation that undermines its ability to act as an electron donor for photoredox catalysis. In contrast, ligand fields that are sufficient to stabilize the 3 T 1 excited state have available to them numerous spin-allowed and, in certain cases, near-barrierless pathways to engage in excited-state electron transfer (both oxidative and reductive depending on the identity of the metal). These results highlight the critical role of spin-state changes and their associated reorganization energy requirements in metal-centered photoredox catalysis.

charge transfer↗

Friction Stir Welding at MSFC: Kinematics

In 1991 The Welding Institute of the United Kingdom patented the Friction Stir Welding (FSW) process. In FSW a rotating pin-tool is inserted into a weld seam and literally stirs the faying surfaces together as it moves up the seam. By April 2000 the American Welding Society International Welding and Fabricating Exposition featured several exhibits of commercial FSW processes and the 81st Annual Convention devoted a technical session to the process. The FSW process is of interest to Marshall Space Flight Center (MSFC) as a means of avoiding hot-cracking problems presented by the 2195 aluminum-lithium alloy, which is the primary constituent of the Lightweight Space Shuttle External Tank. The process has been under development at MSFC for External Tank applications since the early 1990's. Early development of the FSW process proceeded by cut-and-try empirical methods. A substantial and complex body of data resulted. A theoretical model was wanted to deal with the complexity and reduce the data to concepts serviceable for process diagnostics, optimization, parameter selection, etc. A first step in understanding the FSW process is to determine the kinematics, i.e., the flow field in the metal in the vicinity of the pin-tool. Given the kinematics, the dynamics, i.e., the forces, can be targeted. Given a completed model of the FSW process, attempts at rational design of tools and selection of process parameters can be made.

Nunes, A. C., Jr.↗

Comparison of ozone formation attribution techniques in the northeastern United States

The Integrated Source Apportionment Method (ISAM) has been revised in the Community Multiscale Air Quality (CMAQ) model. This work updates ISAM to maximize its flexibility, particularly for ozone (O 3 ) modeling, by providing multiple attribution options, including products inheriting attribution fully from nitrogen oxide reactants, fully from volatile organic compound (VOC) reactants, equally from all reactants, or dynamically from NO x or VOC reactants based on the indicator gross production ratio of hydrogen peroxide (H 2 O 2 ) to nitric acid (HNO 3 ). The updated ISAM has been incorporated into the most recent publicly accessible versions of CMAQ (v5.3.2 and beyond). This study's primary objective is to document these ISAM updates and demonstrate their impacts on source apportionment results for O 3 and its precursors. Additionally, the ISAM results are compared with the Ozone Source Apportionment Technology (OSAT) in the Comprehensive Air-quality Model with Extensions (CAMx) and the brute-force method (BF). All comparisons are performed for a 4 km horizontal grid resolution application over the northeastern US for a selected 2 d summer case study (9 and 10 August 2018). General similarities among ISAM, OSAT, and BF results add credibility to the new ISAM algorithms. However, some discrepancies in magnitude or relative proportions among tracked sources illustrate the distinct features of each approach, while others may be related to differences in model formulation of chemical and physical processes. Despite these differences, OSAT and ISAM still provide useful apportionment data by identifying the geographical and temporal contributions of O 3 and its precursors. Both OSAT and ISAM attribute the majority of O 3 and NO x contributions to boundary, mobile, and biogenic sources, whereas the top three contributors to VOCs are found to be biogenic, boundary, and area sources.

54 ENVIRONMENTAL SCIENCES↗