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At least 271 records · Page 15

The Role of Co-injected Helium on Swelling and Cavity Evolution at High Damage Levels in Ferritic-Martensitic Steels

The influence of helium co-injection at rates from 0 to 4 appm He/dpa on swelling in ferritic-martensitic alloys T91 and HT9 was explored. Irradiations with 5.0 MeV Fe++ ions and degraded He++ ions were performed at 445°C up to damage levels of 150 dpa and helium co-injection rates of 0, 0.02, 0.2 and 4 appm He/dpa in T91, and at 460°C to a damage level of 188 dpa and helium co-injection rates of 0, 0.06 and 4 appm He/dpa in HT9. Helium was observed to enhance cavity nucleation at low damage levels, resulting in the maximum swelling at the highest helium co-injection rate. As the damage level was increased, the helium content at which swelling was maximized shifted to lower helium concentrations, ultimately resulting in the highest swelling occurring with zero helium by 150 dpa. Finally, this behavior was due to the helium-stabilized bubble microstructure that increased the cavity sink strength and reduced both cavity growth rate and swelling relative to the helium-free condition.

36 MATERIALS SCIENCE↗

Centrifugal Compressor Surge Margin Improved With Diffuser Hub Surface Air Injection

Aerodynamic stability is an important parameter in the design of compressors for aircraft gas turbine engines. Compression system instabilities can cause compressor surge, which may lead to the loss of an aircraft. As a result, engine designers include a margin of safety between the operating line of the engine and the stability limit line of the compressor. The margin of safety is typically referred to as "surge margin." Achieving the highest possible level of surge margin while meeting design point performance objectives is the goal of the compressor designer. However, performance goals often must be compromised in order to achieve adequate levels of surge margin. Techniques to improve surge margin will permit more aggressive compressor designs. Centrifugal compressor surge margin improvement was demonstrated at the NASA Glenn Research Center by injecting air into the vaned diffuser of a 4:1-pressure-ratio centrifugal compressor. Tests were performed using injector nozzles located on the diffuser hub surface of a vane-island diffuser in the vaneless region between the impeller trailing edge and the diffuser-vane leading edge. The nozzle flow path and discharge shape were designed to produce an air stream that remained tangent to the hub surface as it traveled into the diffuser passage. Injector nozzles were located near the leading edge of 23 of the 24 diffuser vanes. One passage did not contain an injector so that instrumentation located in that passage would be preserved. Several orientations of the injected stream relative to the diffuser vane leading edge were tested over a range of injected flow rates. Only steady flow (nonpulsed) air injection was tested. At 100 percent of the design speed, a 15-percent improvement in the baseline surge margin was achieved with a nozzle orientation that produced a jet that was bisected by the diffuser vane leading edge. Other orientations also improved the baseline surge margin. Tests were conducted at speeds below the design speed, and similar results were obtained. In most cases, the greatest improvement in surge margin occurred at fairly low levels of injected flow rate. Externally supplied injection air was used in these experiments. However, the injected flow rates that provided the greatest benefit could be produced using injection air that is recirculating between the diffuser discharge and nozzles located in the diffuser vaneless region. Future experiments will evaluate the effectiveness of recirculating air injection.

Skoch, Gary J.↗

Leveraging operational information from wastewater injection wells to evaluate CO 2 injection performance for carbon storage applications in the Appalachian Basin

Abstract Geologic parameters, geophysical logging, injection testing, and operational metrics from wastewater injection wells were integrated to develop a preliminary design of a carbon storage facility in the Appalachian Basin. A scattered group of 10–20 commercial wastewater injection wells dispose off produced water from oil and gas wells in the region, utilizing a sequence of stacked deep saline formations for injection zones. These wastewater injection wells provide practical benchmarks for understanding the feasibility of carbon dioxide (CO 2 ) storage. Geologic models were developed based on characterization data from the wastewater injection wells. Reservoir simulations were calibrated according to injection testing and operational data from the wastewater injection wells. Long‐term operational data on injection flow rates and pressures measured in the wastewater injection wells were especially useful to evaluate the performance of carbon storage applications. The simulations were used to estimate injection pressures, radius of CO 2 saturation, and pressure response for industrial scale CO 2 storage applications. Results were also used to provide a design basis in terms of number of injection wells, well spacing, area of review, injection system components, monitoring plan, and CO 2 pipeline distribution system. The analysis demonstrates that there is sufficient injectivity in the deep saline formations in the west‐central Appalachian Basin to store commercial volumes of anthropogenic CO 2 . The geologic system appears suitable for supporting CO 2 injection rates of 0.5–1.0 million metric tons per year at injection pressures below formation fracture pressure in a single well. The long‐term operational data of wastewater injection wells within the study area suggested a lower permeability‐thickness values than indicated by initial reservoir tests. A workflow for developing realistic permeability values for input into reservoir simulations is presented. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.

Valluri, Manoj↗

PAB3D Simulations of a Nozzle with Fluidic Injection for Yaw Thrust-Vector Control

An experimental and computational study was conducted on an exhaust nozzle with fluidic injection for yaw thrust-vector control. The nozzle concept was tested experimentally in the NASA Langley Jet Exit Test Facility (JETF) at nozzle pressure ratios up to 4 and secondary fluidic injection flow rates up to 15 percent of the primary flow rate. Although many injection-port geometries and two nozzle planforms (symmetric and asymmetric) were tested experimentally, this paper focuses on the computational results of the more successful asymmetric planform with a slot injection port. This nozzle concept was simulated with the Navier-Stokes flow solver, PAB3D, invoking the Shih, Zhu, and Lumley algebraic Reynolds stress turbulence model (ASM) at nozzle pressure ratios (NPRs) of 2,3, and 4 with secondary to primary injection flow rates (w(sub s)/w(sub p)) of 0, 2, 7 and 10 percent.

Deere, Karen A.↗

Measured vs. Calculated Dose Rates During Ring Injection Dump Replacement

One of the most irradiated Spallation Neutron Source (SNS) accelerator components is the ring injection dump (RID), which is located downstream of the accumulator ring injection section. The unstripped and only partially stripped H - beam, about 5% of the full SNS beam current, is discarded in the injection into the accumulator ring and is redirected to the RID. According to the accelerator operation plan, the beam stop and the window assemblies of the existing RID are removed and replaced when they have reached their end-of-life owing to radiation exposure. This procedure, which includes multiple steps, took place during a facility maintenance period in March 2023. To support work planning and meet as low as reasonably achievable (ALARA) requirements during removal and exchange of the components, dose rates were calculated for each stage of the exchange operation. During each stage, dose rates were measured before and after work. This comparison shows that measured dose rates are within a factor of 2 of the predicted (calculated) dose rates.

43 PARTICLE ACCELERATORS↗

Comparison of Measured and Calculated Dose Rates for Ring Injection Dump Exchange at Spallation Neutron Source

According to the accelerator operation plan, the beam-stop and the proton beam window (PBW) assemblies of the existing Ring Injection Dump RID are replaced with fresh assemblies, when they have reached their end-of-life. End of-life is determinate by the stainless-steel beam-stop window having accumulated 10 dpa radiation damage. The exchange process took place during facility maintenance period that started in March 2023. Each of the spent assembles were put into specially designed storage containers temporarily residing near the RID building.The spent beam-stop is predicted to be the part of highest activation that has been removed in Spallation Neutron Source (SNS). The exchange processes require good work planning to minimize radiation exposure to personal. For each exchange step the residual dose rate distribution is calculated and the peak values are identified. This paper gives some examples of calculated vs measured doses during beam-stop assembly exchange.

Popova, Irina I.↗

Numerical Simulations of Geologic Storage Reservoir Management to Support Risk Mitigation Evaluation

This report provides a detailed description of a set of numerical simulations that represent reservoir behavior over time in response to different operational decision scenarios for detection of potential leakage and reduction or avoidance of leakage impact at a hypothetical geological carbon storage (GCS) site. These simulations serve as the basis for a series of GCS leakage risk forecasts that are to be developed using the National Risk Assessment Partnership’s Open-Source Integrated Assessment Model (NRAP-Open-IAM), and a demonstration of a simple decision support workflow for evaluation of mitigation strategies based on results of those system model forecasts. This risk assessment and decision support study is forthcoming. Four injection scenarios were considered: a constant rate carbon dioxide (CO 2 ) injection case (base case), a case with CO 2 injection rate adjustment, a case with early termination of injection operations, and a case with brine extraction. CO 2 injection operations were controlled to ensure that the pressure transient remains below the defined manageable reservoir fracture pressure, with consideration shown to hypothetical locations within the modeled spatial domain where the overburden was weaker and lower transient pressure increases were allowable. Additionally, a brine extraction alternative was considered as a reservoir management and risk mitigation option to reduce reservoir pressure, steer the plume away from any hypothetical geohazard such as fault as needed, and enhance storage capacity. Such operational actions contribute to risk management overtime. This study explores the potential utility of reservoir management for risk reduction at GCS sites. This study shows that the injection design may modify the time to CO 2 breakthrough at a legacy well; in particular, these results show that brine extraction can add value for mitigating risk both by delaying leakage and reducing pressure build-up. For the scenario considered, both pressure plots and pressure distributions demonstrate that pressure build-up was decreased by 3% with brine extraction. Additionally, extraction of brine afforded enhancement of CO 2 storage capacity by 5% compared to the base case. These findings suggest that brine extraction has substantial potential to steer the risk-related reservoir effects away from known geohazards (e.g., faults and legacy wells) by conducting pressure transient effects and CO 2 plume movement toward the production well. Injection rate adjustment scenarios considered in this study show potential value for managing both reservoir pressure transients and CO 2 plume behavior. Operational actions for reducing injection and/or early termination of injection (as compared to the base case), however, require careful design; tailoring both the extent and timing of injection rate adjustment over the injection and post-injection operational period must be thoroughly planned to balance maximizing storage and minimizing subsurface environmental risk. The study also gives preliminary consideration to the effectiveness that monitoring strategy may play in providing useful information to inform reservoir management decisions for risk reduction. Two types of monitoring were considered: 1) pressure build-up or pressure transient; and 2) potential leakage detection from a CO 2 mass or plume. Four hypothetical legacy wells, two plugged and two abandoned, were placed in the model domain. Monitoring along these wells was measured over time in individual stacked reservoir formations and shale formations to support risk mitigation decisions, especially operational decisions that assisted in risk reduction. These simulations will serve as the basis for a series of GCS leakage risk forecasts that are to be developed using NRAP’s Open-IAM, and demonstration of a simple decision support workflow for comparative assessment of mitigation alternatives based on results of those system model forecasts. This risk assessment and decision support study is forthcoming.

54 ENVIRONMENTAL SCIENCES↗

Fluid dynamic research at NASA-Ames Research Center related to transonic wind tunnel design and testing techniques

Fluid dynamic research with the objective of developing new and improved technology in both test facility concepts and test techniques is being reported. A summary of efforts and results thus far obtained in four areas is presented. The four area are: (1) the use of heavy gases to obtain high Reynolds numbers at transonic speeds: (2) high Reynolds number tests of the C-141A wing configuration; (3) performance and flow quality of the pilot injector driven wind tunnel; and (4) integration time required to extract accurate static and dynamic data from tests in transonic wind tunnels. Some of the principal conclusions relative to each of the four areas are: (1) Initial attempts to apply analytical corrections to test results using gases with gamma other than 1.4 to simulate conditions in air show promise but need significant improvement; (2) for the C-141A configuration, no Reynolds number less than the full scale flight value provides an accurate simulation of the full scale flow; (3) high ratios of tunnel mass flow rate to injection mass flow rate and high flow quality can be obtained in an injector driven transonic wind tunnel; and (4) integration times of 0.5 to 1.0 sec may be required for static force and pressure tests, respectively, at some transonic test conditions in order to obtain the required data accuracy.

Muhlstein, L., Jr.↗

Geomechanical and Hydrogeological Evaluation of a Shallow Hydraulic Fracture at the Devine Fracture Pilot Site, Medina County, Texas

UT-Austin’s Devine Fracture Pilot Site, 50 miles southwest of San Antonio, Texas, has been targeted for a comprehensive, multidisciplinary development of fracture diagnostic techniques that are cross-validated by ground-truth data acquisition near a recently created, 175-ft-deep, horizontal hydraulic fracture (Ahmadian et al. 2018 Demonstration of proof of concept of electromagnetic geophysical methods for high resolution illumination of induced fracture networks. In Proceedings of the SPE Hydraulic Fracturing Technology Conference and Exhibition, The Woodlands, Texas, USA, 23–25 January 2018. SPE-189858-MS.). To evaluate the fracture diagnostic methods at this site, we conducted injection tests with a predefined volumetric flow-rate profile, resembling a diagnostic fracture injection test on September 2020. Subsequently, we developed hydrogeological and geomechanical models based on flow-rate and bottomhole-pressure measurements. History-matching efforts using a simplified layer-cake hydrogeological model resulted in the field-scale formation permeability of 9.87 × 10 –15 m 2 (10 mD) and Darcy-scale fracture permeability. The analysis of the bottomhole pressure and injection-rate history showed that (1) the newly created horizontal fracture was closed adjacent to the injection well pre-injection and (2) the initial pump-pressure increase at a nominal volumetric injection rate led to near-well fracture reopening, fluid conductivity increase, and abrupt injection-rate increase. To overcome hydrogeological-model limitations of predicting fracture reopening throughout injection, we extended the modeling to a finite-element, poroelastic analysis of horizontal-fracture growth using a cohesive-zone model. Using this fracture-reopening model, we improved the history match of the transient-pressure response during the experiment by adjusting the hydromechanical properties. Furthermore, post-injection pressure transient analyses helped reduce uncertainty in the overburden-stress gradient, and the initial hydraulic-fracturing simulation verified the plausibility of achieving the surveyed propped fracture area.

02 PETROLEUM↗

Optimization of well design and CO 2 injection strategy for risk reduction in Class VI geological carbon sequestration wells

The safety and durability of Class VI wells are critical for geological carbon sequestration (GCS). However, current GCS operations face unique challenges: unlike traditional Class II wells, Class VI CO 2 injection wells operate at rates up to 100 times higher, dramatically increasing the risk of wellbore leakage and structural compromise due to severe temperature drops and associated mechanical stresses. Despite existing guidelines on material selection, there remains a substantial gap in understanding how rapid CO 2 injection rates, low surface temperatures, and variable reservoir conditions interact to threaten long-term well integrity. This study presents a comprehensive, original workflow integrating advanced analytical and numerical models for both well flow and well integrity analysis. By systematically simulating a wide range of field-relevant scenarios—including variations in injection rate, CO 2 temperature, and reservoir pressure—this work provides the first cross-validated assessment of cooling effects on wellbore. The results reveal that extreme temperature drops, up to 60 °C, can occur under high injection rates, particularly in depleted reservoirs, significantly increasing the risk of cement failure. Building on these insights, the study proposes innovative, practical well design and operational strategies, including ductile cement formulations, pre-stressing techniques, advanced insulation coatings, and proactive management of injection rates. The safety of Class VI well extends beyond simply using CO 2 resistant materials. Cement materials should possess optimal thermo-hydraulic-mechanical-chemical properties for effective performance. This work provides a scientific basis for optimizing Class VI well designs, with direct benefits for minimizing environmental risk, lowering operational costs, and enhancing the long-term reliability of GCS.

25 ENERGY STORAGE↗

Surface Deformation and Seismicity Linked to Fluid Injection in the Raton Basin

Abstract It is suggested that in addition to seismicity deep fluid injection may cause surface uplift and subsidence in oil and gas‐producing regions. This study uses the Raton Basin as an example to investigate the hydromechanical processes of surface uplift and subsidence during wastewater injection. The Raton Basin, in southern central Colorado and northern central New Mexico, has experienced wastewater injection related to coalbed methane and gas production starting in 1994. In this study, we estimate the extent and magnitude of total vertical deformation in the Raton Basin from 1994 to 2020 and incremental deformation between the years 2017 to 2020. Results indicate a modeled uplift as much as 15 cm occurring between 1994 and 2020. Between 2017 and 2020, up to 3 cm of uplift occurred, largely near the northwestern injection wells. Most modeled uplift between 1994 and 2020 occurred near the southern wells, where the greatest cumulative volume of wastewater was injected. However, modeled subsidence occurred around the southern and eastern wells between 2017 and 2020, after the rate of injection decreased. Modeling indicates that while the magnitude of modeled uplift corresponds to cumulative injection volume and maximum rate in the long‐term, short‐term incremental deformation (uplift or subsidence) is controlled by changes in the rate of injection. The number of yearly earthquake events follows periods of rapid modeled uplifting throughout the Basin, suggesting that measurable surface deformation may be caused by the same injection‐induced pore pressure perturbations that initiate seismicity.

Geology↗

Investigation of enhanced CO 2 storage in deep saline aquifers by WAG and brine extraction in the Minnelusa sandstone, Wyoming

Geological CO 2 sequestration in deep saline aquifers has been extendedly investigated to reach the goal of carbon neutral as large amount of CO 2 can be reduced in a short time. Here, this study investigates the feasibility of water-alternating-gas (WAG) injection and brine extraction on enhancing CO 2 storage in a target deep saline aquifer, Minnelusa Sandstone in the Powder River Basin (PRB) of Wyoming. An integrated numerical model is developed to account for four scenarios: (1) CO 2 continuous injection (CI) through one injection well, (2) WAG injection through one injection well, (3) CO 2 CI through one injection well and brine extraction through one producer, (4) WAG injection through one injection well and brine extraction through one producer. Simulation results suggest that WAG injection and brine extraction corporately make it possible to enhance CO 2 injectivity while securing CO 2 storage safety. For instance, WAG injection considerably reduces structural trapping contribution while enhances dissolved and residual trapping contributions. As for brine extraction, it can decrease the maximum averaged reservoir pressure by 37% and 22% for CI and WAG injection, respectively. Besides, sensitive analyses of the operational parameters for the fourth scenarios are performed. Results reveal that, when the amount of total CO 2 injection has been predetermined, CO 2 injection time and rate within each period of WAG should be small whereas it is preferable to have large water injection time and rate. This is to secure desirable dissolved and residual trapping contributions (store CO 2 with safety). Sensitive degree results confirm that CO 2 injection rate, water injection time, and CO 2 injection time of WAG injection exhibit significant effects on CO 2 storage whereas the impacts of producer bottom-hole pressure (BHP), water injection rate, and CO 2 -water injection time are relatively weaker. This study not only sheds light on achieving double-win goal: enhance CO 2 injectivity and store CO 2 with safety, but also can be a critical reference for other CO 2 storage in deep saline aquifers.

58 GEOSCIENCES↗

Rates of fuel discharge as affected by the design of fuel-injection systems for internal-combustion engines

Using the method of weighing fuel collected in a receiver during a definite interval of the injection period, rates of discharge were determined, and the effects noted, when various changes were made in a fuel-injection system. The injection system consisted primarily of a by-pass controlled fuel pump and an automatic injection valve. The variables of the system studied were the pump speed, pump-throttle setting, discharge-orifice diameter, injection-valve opening and closing pressures, and injection-tube length and diameter.

Gelalles, A G↗

Characterization of a high-pressure diesel fuel injection system as a control technology option to improve engine performance and reduce exhaust emissions

Test results from a high pressure electronically controlled fuel injection system are compared with a commercial mechanical injection system on a single cylinder, diesel test engine using an inlet boost pressure of 2.6:1. The electronic fuel injection system achieved high pressure by means of a fluid intensifier with peak injection pressures of 47 to 69 MPa. Reduced exhaust emissions were demonstrated with an increasing rate of injection followed by a fast cutoff of injection. The reduction in emissions is more responsive to the rate of injection and injection timing than to high peak injection pressure.

Mcfadden, J. J.↗

Comparison of Oxygen Liquefaction Gaseous Oxygen Injection via Ullage and Dip Tube

The Cryogenic Fluid In-situ Liquefaction for Landers (CryoFILL) testing demonstrated constant and transient oxygen liquefaction in a scaled lander tank integrated with an industrial cryocooler. Early in the test series, two methods for injecting gaseous oxygen into the test tank were ran under similar constant liquefaction conditions for comparison. Gaseous oxygen was either injected directly from the lid into the ullage or bubbled up through the liquid using a dip tube that extends to the bottom of the test tank. The direct comparison of these gaseous oxygen injection methods for constant liquefaction indicated ullage injection provided a greater liquefaction rate than injection via a dip tube. Injection through the ullage was subsequently selected as the nominal injection method for the CryoFILL test series. The comparison of the two injection methods will be highlighted with a discussion of what may cause the variation in liquefaction rate.

Cryogenic Fluid Management↗

The effectiveness of a double-stem injection valve in controlling combustion in a compression-ignition engine

An investigation was made to determine to what extent the rates of combustion in a compression-ignition engine can be controlled by varying the rates of fuel injection. The tests showed that the double-stem valve operated satisfactorily under all normal injection conditions; the rate of injection has a definite effect on the rate of combustion; the engine performance with the double-stem valve was inferior to that obtained with a single-stem valve; and the control of injection rates permitted by an injection valve of two stages of discharge is not sufficient to effect the desired rates of combustion.

Spanogle, J A↗

Evaluation of Zero-Net-Rate Pumping Tests

Accurately estimating the distribution of aquifer properties is key to understanding contaminant movement in the subsurface. The distribution of aquifer properties is typically addressed using slug or constant-rate well tests, and the pros and cons of these tests are well known. Slug tests are appealing because they avoid removing contaminated water, but their results are affected by well skin and the small volume of displaced water limits the volume of aquifer that can be evaluated. Constant-rate well tests have the disadvantage of requiring disposal of potentially contaminated water, but they can generate properties that are more representative than slug tests, and they can be used to estimate well efficiency and storativity, which are difficult to characterize using slug tests. Periodic pumping tests are appealing because they have many of the advantages and few of the disadvantages of slug and constant-rate well tests. Periodic pumping tests involve cycling the pumping rate with a regular period and measuring the resulting response in monitoring wells. Some of these tests involve imposing a periodic rate on a constant mean rate. However, other tests involve moving water out and back into the well at rates that are balanced so the net rate after each period is zero. Some zero-net-rate (ZNR) well tests use rates that follow a sinusoidal pattern, whereas others use a square wave pattern that switches between a constant rate of pumping and a constant rate of injection to achieve a zero-net rate. ZNR well tests appear to be a useful compromise between slug and constant rate tests, but methods for conducting and analyzing the results from these tests have received limited evaluation. Periodic pumping tests are typically evaluated through recorded pressure responses to a disturbance source. Recent work has demonstrated that the strain field in the vadose zone shows a response to disturbances in the underlying aquifer. Various instrument designs are available that can record vertical and horizontal strain to very precise resolutions (10-9 ε). Measuring the strain in the vadose zone can present lower costs than measuring pressure in a monitoring well, so using strain could improve the resolution of ZNR tests, as well as make these tests potentially cheaper. A ZNR periodic pumping system was constructed and used to perform tests in the Clemson, South Carolina area. The system was designed to pump and inject with a periodic square-wave, so pumping occurs at a constant rate for half the period and is followed by injection at the same rate for half the period resulting in no net gain or loss of water from the aquifer. The system is designed to generate flow rates from 1 to 3.5 gallons per minute (gpm) with a capacity of 875-gallon per half period. Pressure and strain monitoring points are located in the vicinity of the pumping well. A series of 10 ZNR periodic pumping tests were conducted at the field site, with periods ranging from 2 to 540 minutes. Pressure data were collected and recorded in four monitoring wells in various locations around the pumping well. In addition, vertical and horizontal strain and tilt data were recorded in various locations around the pumping well. Traditional aquifer tests, including slug tests and constant-rate pumping tests were conducted at the field site to provide a baseline of aquifer parameter estimates that are compared the results of ZNR tests. Pressure data measured at monitoring wells during ZNR tests were analyzed utilizing an analytical solution (Streltsova, 1988) that assumes a confined aquifer and estimates hydraulic diffusivity and transmissivity using the time lag and amplitude of the pressure signal. The storativity can be separated out from the hydraulic diffusivity using the transmissivity estimate. The time-lag and amplitude of the pressure signals were estimated using a Fourier transform. The time-lag of the primary period of the pressure increases as a linear function of distance from the pumping well, and it increases as the square root of the period of the ZNR test over a range of periods spanning two orders of magnitudes. The first few harmonics follow similar trends, but the higher frequency harmonics diverge from this trend. Strain and tilt data from various instruments in the vadose and saturated zones are periodic during ZNR tests. The time lags of the strain components increase roughly linearly with distance from the well. Many of the time lags of the strain data from the vadose zone are similar to the time lags observed in the pressure data from a similar distance and pumping period. Theoretical experiments were performed to understand how pressure and strain responds to ZNR periodic pumping. The time-lags of the simulated pressure responses match the field data trends. The results were used to validate the Streltsova (1988) solution for periodic pumping to estimate hydraulic diffusivity. Hydraulic diffusivity was estimated to be 1.8 x 10-2 m2s-1 < Dh < 9.0 x 10-2 m2s-1 using pressure data from all the wells during ZNR tests. Transmissivity was estimated to be 0.8 x 10-4 m2s-1 < T < 4.3 x 10-4 m2s-1. Assuming Storativity = T/Dh gives 1.1 x 10-3 < S < 19 x10-3. Transmissivity is used to estimate the hydraulic conductivity, K, by dividing by the assumed aquifer thickness. Two constant-rate pumping tests were conducted and analyzed using two conceptual models: The Hantush (1961) solution was used to analyze data assuming confined conditions and the Neuman (1974) solution was used to analyze data assuming unconfined conditions. The Hantush (1961) solution estimated transmissivity to be 1.6 x 10-4 m2s-1 < T < 1.8 x 10-4 m2s-1 when using data from all the wells. Storativity was estimated to be 4.4 x 10-3 < S < 8.2 x 10-3. Assuming Dh = T/S gives 0.22 x 10-2 m2s-1 < Dh < 3.6 x 10-2 m2s-1. The Neuman (1974) solution estimated transmissivity to be 0.80 x 10-4 m2s-1 < T < 0.84 x 10-4 m2s-1. Total storativity (S + Sy) was estimated to be 22 x 10-3 < S < 110 x 10-3. Storativity excluding the Sy term was estimated to be 2.2 x 10-3 < S < 2.5 x 10-3. Assuming Dh = T/S gives 0.073 x 10-2 m2s-1 < S < 0.36 x 10-2 m2s-1. Two slug tests were performed on the pumping well, PW-2. The Bouwer and Rice (1976) solution for slug tests was used to analyze the data. This solution works for both confined and unconfined conditions, so both conceptual models were covered through the analysis. Hydraulic conductivity was estimated to be 1.95 x 10-6 ms-1 < K < 2.49 x 10-6 ms-1. Statistical comparison show generally no significant difference in the estimates of Dh, K, or S made using ZNR and conventional pumping tests.. However, the total storage estimated by the Neuman (1974) solution for unconfined settings is larger than that estimate using the Streltsove analysis applied to the ZNR tests. This is likely because the Neuman solution considers delayed yield from storage that the water table, whereas the Streltsova (1988) solution assumes confined conditions. The analysis also indicates that there is a statistically significant difference between parameters estimated with conventional slug tests and those measured with either constant-rate pumping tests or ZNR tests. Hydraulic diffusivity is estimated from the time-lag and the distance from the well. The time-lags of the strain data from the vadose zone are similar to the lags of the pressure data from a similar distance. This indicates that hydraulic diffusivities estimated from the strain data measured in the vadose zone would be similar to the estimates from the pressure data measured in the aquifer. There appear to be sign reversals in some of the strain data that were corrected to estimate the time lag. The dissolved oxygen (CO) concentration was measured during several ZNR tests to evaluate the feasibility of using the procedure to increase contaminant degradation kinetics that are related to DO. The results indicate that DO can be increased during the cycling of ZNR tests in some cases.

Smith-Jones, Austin↗

Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography

Here, we illustrate what happens inside the catalytic cleft of an enzyme when substrate or ligand binds on single-millisecond timescales. The initial phase of the enzymatic cycle is observed with near-atomic resolution using the most advanced X-ray source currently available: the European XFEL (EuXFEL). The high repetition rate of the EuXFEL combined with our mix-and-inject technology enables the initial phase of ceftriaxone binding to the Mycobacterium tuberculosis β-lactamase to be followed using time-resolved crystallography in real time. It is shown how a diffusion coefficient in enzyme crystals can be derived directly from the X-ray data, enabling the determination of ligand and enzyme–ligand concentrations at any position in the crystal volume as a function of time. In addition, the structure of the irreversible inhibitor sulbactam bound to the enzyme at a 66 ms time delay after mixing is described. This demonstrates that the EuXFEL can be used as an important tool for biomedically relevant research.

36 MATERIALS SCIENCE↗