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NASA NTRS1974

Unified method for serial study of body fluid compartments

Methods for the simultaneous determination of equilibrium space of I-125/RISA(radio-iodinated serum albumin) (plasma volume), Cr-51 red cell mass, Br-82 space (extracellular fluid volume), and tritiated water space (total body water) are described. Determinations were made on two occasions separated by a 1 week interval in 43 healthy young men who were on a strict metabolic diet. Hourly samples were taken for 6 hours after injection of the radionuclides. Correlation of these values to the inscribed exponential disappearance curve was high. In 15 subjects, earlier and more-frequent sampling led to no improvement in the accuracy of estimation of the I-125/RISA space. Use of this method gave results in 12 subjects for Br-82 space and in 11 subjects for tritiated water space which were not significantly different from those obtained by correction for urine loss.

Spears, C. P.↗

NASA NTRS1992

Analysis of penetration and mixing of gas jets in supersonic cross flow

The JETPEN analysis for gas jets in a supersonic cross flow developed earlier at APL/JHU has been extended in several important ways. First, the treatment of cases with injection at angles other than 90 deg has been redone. Next, the second of the three regions formerly treated has been eliminated. Third, the region downstream of the Mach disk for underexpanded cases has been reformulated such that turbulent entrainment of main stream fluid into the plume is modeled, and the equations of motion are solved marching downstream. These changes now permit prediction of the variation in composition, mixing area growth and all other flow variables along the plume. The analysis has been verified by comparison of predictions and experiment over a wide range of conditions. The result is an analysis capable of reliable predictions of the major flowfield variables that can be run on a PC.

Billig, F. S.↗

NASA NTRS2001

Delta L: An Apparatus for Measuring Macromolecule Crystal Growth Rates in Microgravity

Strongly diffracting high quality macromolecule crystals of suitable volume are keenly sought for X-ray diffraction analysis so that high-resolution molecular structure data can be obtained. Such data is of tremendous value to medical research, agriculture and commercial biotechnology. In previous studies by many investigators microgravity has been reported in some instances to improve biological macromolecule X-ray crystal quality while little or no improvement was observed in other cases. A better understanding of processes effecting crystal quality improvement in microgravity will therefore be of great benefit in optimizing crystallization success in microgravity. In ground based research with the protein lysozyme we have previously shown that a population of crystals grown under the same solution conditions, exhibit a variation in X-ray diffraction properties (Judge et al., 1999). We have also observed that under the same solution conditions, individual crystals will grow at slightly different growth rates. This phenomenon is called growth rate dispersion. For small molecule materials growth rate dispersion has been directly related to crystal quality (Cunningham et al., 1991; Ristic et al., 1991). We therefore postulate that microgravity may act to improve crystal quality by reducing growth rate dispersion. If this is the case then as different, Materials exhibit different degrees of growth rate dispersion on the ground then growth rate dispersion could be used to screen which materials may benefit the most from microgravity crystallization. In order to assess this theory the Delta L hardware is being developed so that macromolecule crystal growth rates can be measured in microgravity. Crystal growth rate is defined as the change or delta in crystal size (defined as a characteristic length, L) over time; hence the name of the hardware. Delta L will consist of an optics, a fluids, and a data acquisition sub-assemblies. The optics assembly will consist of a video microscope camera mounted on three axis computer controlled translation stages. The fluids assembly consists of macromolecule and precipitant reservoirs, a temperature controlled growth cell and waste container, The data acquisition is achieved by using a frame-gabber, with images being stored on a hard drive. In operation, macromolecule and precipitant solution will be injected into the temperature controlled growth cell. As macromolecule crystals grow, the video microscope camera controlled by the translation stages, will be used to locate and record images of individual crystals, returning to the same crystals at specific time intervals. The images will be stored on the hard drive and used to calculate the crystal growth rate. To prevent vibrations interfering in the crystal growth rate measurements (Snell et al., 1997) Delta L will be used in connection with the Glovebox Integrated Microgravity Isolation Technology (g-LIMIT) inside the Microgravity Science Glovebox (MSG), onboard the International Space Station (ISS).

Judge, Russell A.↗

DOE OSTI2016

Modeling Co-Extruded Cathodes for High Energy Lithium-Ion Batteries

Utilizing an existing macro-homogeneous porous electrode model developed by John Newman, this talk presents the potential energy density gains that can be realized in lithium-ion battery electrodes fabricated with co-extrusion (CoEx) technology. CoEx uses carefully engineered fluidic channels to cause multiple streams of dissimilar fluids to impart shape to one another. The result is a high-speed, continuous deposition process that can create fine linear structures much smaller than the smallest physical feature within the printhead. By eliminating the small channels necessary for conventional extrusion and injection processes, CoEx is able to deposit highly loaded and viscous pastes at high line speeds under reasonable operating pressures. The CoEx process is capable of direct deposition of features as small as 10 μm with aspect ratios of 5 or greater, and print speeds > 80 ft/min. We conduct an analysis on two-dimensional cathode cross-sections in COMSOL and present the electrochemical performance results, including calculated volumetric energy capacity for Lithium Nickel Manganese Cobalt Oxide (NMC) co-extruded cathodes, in the presence of a lithium metal anode, polymer separator and ethylene carbonate–diethyl carbonate (EC:DEC) liquid electrolyte. The impact of structured electrodes on cell performance is investigated by varying the physical distribution of a fixed amount of cathode mass over a space of dimensions which can be fabricated by CoEx. By systematically varying the thickness and aspect ratio of the electrode structures, we present an optimal subset of geometries and design rules for co-extruded geometries. Modeling results demonstrate that NMC CoEx cathodes, on the order of 125-200 µm thick, can garner an improvement in material utilization and in turn capacity through the addition of fine width electrolyte channels or highly conductive electrode regions. We also present initial experimental results on CoEx NMC cathode structures.

25 ENERGY STORAGE↗

DOE OSTI2016

FIELD IMPLEMENTATION PLAN FOR A WILLISTON BASIN BRINE EXTRACTION AND STORAGE TEST

The Energy & Environmental Research Center (EERC) successfully completed all technical work of Phase I, including development of a field implementation plan (FIP) for a brine extraction and storage test (BEST) in the North Dakota portion of the Williston Basin. This implementation plan was commissioned by the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL) as a proxy for managing formation pressure plumes and measuring/monitoring the movement of differential pressure and CO2 plumes in the subsurface for future saline CO2 storage projects. BEST comprises the demonstration and validation of active reservoir management (ARM) strategies and extracted brine treatment technologies. Two prospective commercial brine injection sites were evaluated for BEST to satisfy DOE’s goals. Ultimately, an active saltwater disposal (SWD) site, Johnsons Corner, was selected because it possesses an ideal combination of key factors making it uniquely suited to host BEST. This site is located in western North Dakota and operated by Nuverra Environmental Solutions (Nuverra), a national leader in brine handling, treatment, and injection. An integrated management approach was used to incorporate local and regional geologic characterization activities with geologic and simulation models, inform a monitoring, verification, and accounting (MVA) plan, and to conduct a risk assessment. This approach was used to design a FIP for an ARM schema and an extracted brine treatment technology test bed facility. The FIP leverages an existing pressure plume generated by two commercial SWD wells. These wells, in conjunction with a new brine extraction well, will be used to conduct the ARM schema. Results of these tests will be quantified based on their impact on the performance of the existing SWD wells and the surrounding reservoir system. Extracted brine will be injected into an underlying deep saline formation through a new injection well. The locations of proposed extraction and injection wells were selected during the Phase I efforts. These wells will be permitted as North Dakota Administrative Code Underground Injection Control Class II wells and will yield additional characterization data which will further refine the FIP in Phase II. An array of surface and downhole monitoring techniques will validate ARM performance against predictive simulation results. Infrastructure will be constructed to manage extracted fluids at the surface and provide brine to a treatment test bed facility. Treatment of extracted brine can provide a means of reducing extracted brine disposal volumes, an alternate source of water, and/or salable products for beneficial use. A test bed facility will be constructed to provide a means of demonstrating these technologies on a wide range of brine concentrations. Screening criteria based on a techno-economic and life cycle assessment were developed to select high-salinity brine treatment technologies for extended duration treatment (30–60 days) in Phase II. A detailed cost assessment determined total implementation costs for BEST of $19,901,065 million (DOE share $15,680,505). These costs are inclusive of all necessary equipment, infrastructure construction, operations and project closeout costs required to implement BEST. An ideal combination of key factors makes the Johnsons Corner site uniquely suited to be the BEST demonstration.

10 SYNTHETIC FUELS↗

DOE OSTI2018

Using colloidal silica as isolator, diverter and blocking agent for subsurface geological applications

A system for blocking fast flow paths in geological formations includes preparing a solution of colloidal silica having a nonviscous phase and a solid gel phase. The solution of colloidal silica is injected into the geological formations while the solution of colloidal silica is in the nonviscous phase. The solution of colloidal silica is directed into the fast flow paths and reaches the solid gel phase in the fast flow paths thereby blocking flow of fluid in the fast paths.

58 GEOSCIENCES↗

DOE OSTI2020

Using colloidal silica as a zonal isolation material and fast path blocker in geological formations

02 PETROLEUM↗

DOE OSTI2014

Effects of maternal exposure to di(2-ethylhexyl)phthalate (DEHP) during pregnancy on susceptibility to neonatal asthma

Di(2-ethylhexyl) phthalate (DEHP) is used as a plasticizer and is widely dispersed in the environment. In this study, we investigated the effects of maternal exposure to DEHP during pregnancy on neonatal asthma susceptibility using a murine model of asthma induced by ovalbumin (OVA). Pregnant BALB/c mice received DEHP from gestation day 13 to lactation day 21. Their offspring were sensitized on postnatal days (PNDs) 9 and 15 by intraperitoneal injection of 0.5 μg OVA with 200 μg aluminum hydroxide. On PNDs 22, 23 and 24, live pups received an airway challenge of OVA for 30 min. Offspring from pregnant mice that received DEHP showed reductions in inflammatory cell count, interleukin (IL)-4, IL-13, and eotaxin in their bronchoalveolar lavage fluid and in total immunoglobulin E and OVA-specific IgE in their plasma compared with offspring from pregnant mice that did not receive DEHP treatment. These results were consistent with histological analysis and immunoblotting. Maternal exposure to DEHP reduces airway inflammation and mucus production in offspring, with a decrease in inducible nitric oxide synthase (iNOS) in the lung tissue. This study suggests that maternal exposure to DEHP during pregnancy reduces asthmatic responses induced by OVA challenge in offspring. These effects were considered to be closely related to the suppression of Th2 immune responses and iNOS expression. - Highlights: • Maternal exposure to di(2-ethylhexyl)phthalate reduces asthmatic response in pups. • Di(2-ethylhexyl)phthalate reduces eosinophilia induced by ovalbumin exposure. • Di(2-ethylhexyl)phthalate reduces T-helper type 2 cytokine production. • Di(2-ethylhexyl)phthalate attenuates airway inflammation and mucus production. • Di(2-ethylhexyl)phthalate suppresses inducible nitric oxide synthase in lung tissue.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Development of prechamber enabled mixing-controlled combustion strategy for ultra-low methane emissions from lean burn natural gas engines

This numerical study explores the optimization of Prechamber Enabled Mixing-Controlled Combustion (PC-MCC) using natural gas in heavy-duty engines, aiming to enhance combustion efficiency to minimize methane slip and NOx emissions. The approach involves a prechamber ignition system, distinct from conventional spark ignition (SI) systems, to initiate combustion of direct injected natural gas. By leveraging the robust ignition characteristics of the prechamber, the PC-MCC method demonstrates significant potential in achieving efficient combustion akin to diesel engines but with lower greenhouse gas emissions. The research evaluates the effects of various geometric and operational parameters on the combustion process and emissions, including prechamber volume, nozzle diameter, direct injector (DI) geometry, and engine operating strategies. Computational Fluid Dynamics (CFD) simulations are utilized, focusing on a heavy-duty, single-cylinder engine modeled after the Caterpillar C9.3B engine. Key findings indicate that a prechamber volume of 3 cc, coupled with a nozzle diameter of 2.75 mm for two prechamber holes, strikes an optimal balance between combustion efficiency and emissions reduction. This configuration ensures robust combustion across a range of operating conditions while maintaining methane slip within targeted limits. Further investigation into DI geometry shows the significance of the injector umbrella angle and nozzle diameter in shaping the fuel-air mixing and combustion dynamics. An umbrella angle of 130° and a nozzle diameter of 300 microns are identified as optimal, promoting rapid and efficient combustion with minimized methane and NOx emissions. The study also investigates the impact of injection timing and pressure, highlighting their roles in controlling combustion timing and influencing emissions levels. Advanced injection timing is found to be crucial in achieving the desired low methane slip, whereas retarded injection timing assists to reduce NOx emissions while having a slight increase in methane emissions. Operating strategies incorporating various levels of Exhaust Gas Recirculation (EGR) are assessed for their effectiveness in further reducing emissions. The research demonstrates that a judicious combination of internal hot EGR and careful calibration of DI pressure and SOI timing can achieve significant reductions in NOx emissions while keeping methane slip under control. Specifically, an internal EGR level of 15%–25%, combined with DI pressures of 200–300 bar and injection timings at or after top dead center, is recommended. These findings contribute valuable insights into the development of advanced combustion techniques for natural gas engines, offering a viable pathway to reduce methane slip without compromising engine efficiency or performance. The PC-MCC system presents a promising solution for the future of heavy-duty natural gas engine technology to reduce methane emissions.

Nsaif, Osama↗

DOE OSTI2024

Simulation of Multiphase Flow and Poromechanical Effects Around Injection Wells in CO 2 Storage Sites

In geological CO 2 storage operations, wellbore deformations and leakage pathways formations can occur around injection and abandoned wells subjected to high rates and long-term CO 2 injection. To guide engineering design and prevent CO 2 leakage risks, a full understanding of the underlying physics and robust numerical models is necessary to evaluate the response of underground formations in the near wellbore region and in the reservoir. In this study, a multi-scale and multi-physics open-source simulator (GEOS) is used to simulate multiphase flow and poromechanical deformations over time in three dimensions. The governing equations for mechanical deformations of the rock body and multiphase compositional fluid flow within the rock matrix are solved with a fully coupled finite element and finite volume approach. The Drucker–Prager model with friction hardening is applied to simulate elastoplastic deformation and a multiphase fluid model with power-law correlations for relative permeability is used to model the migration of CO 2 plume, which are coupled with numerical implicit scheme. Simulation results are verified against multiple analytical solutions for multiphase flow and wellbore problems, thus demonstrating the accuracy of this advanced simulator. In two engineering applications, here we highlight the impact of elastoplastic deformation and coupled modeling for assessing induced displacements and stress perturbations, which are more pronounced in the near wellbore regions. This work focuses on short-term processes in the vicinity of injection wells where stress evolutions, rock deformations and multiphase compositional flow and transport are simulated jointly to ensure wellbore stability and prevent damage. This fully coupled geomechanical model can simulate multiphase flow and any associated poromechanical effects within the CO 2 storage site and in the surrounding formations. Such a large-scale, long-term, multi-physics simulation model is useful in many ways: it can guide operational decisions for CO 2 injection, assess the containment potential and risks of a site, and analyze the wellbore stability and integrity during and after CO 2 injection.

58 GEOSCIENCES↗

DOE OSTI2025

A dynamic 2D Borehole Thermal Energy Storage (BTES) model for enhanced computational efficiency

Progressing toward a future increasingly reliant on renewable energy sources, the development of effective, durable energy storage solutions becomes essential to balance supply and demand fluctuations. Borehole Thermal Energy Storage (BTES) is a long-duration thermal energy storage technology that captures excess heat generated from renewable energy sources and stores it underground for later use, enabling the efficient utilization of sustainable energy. This approach is particularly valuable in district energy networks when integrated with Ground Source Heat Pumps (GSHP) to provide stable heating and cooling. However, traditional three-dimensional (3D) numerical models of BTES systems demand extensive computational resources, limiting their practicality for real-time and large-scale applications. This study introduces a novel two-dimensional (2D) modeling approach that reduces computational costs while maintaining high accuracy. By employing a radial ring-based discretization method, the model simulates heat injection, retention, and retrieval dynamics over seasonal cycles. A new thermal-mass weighted-average temperature parameter is introduced to evaluate the performance of BTES systems. Model validation against FEFLOW simulations demonstrates a 17-fold improvement in computational speed compared to traditional Computational Fluid Dynamics (CFD) models while achieving a mean absolute percentage error (MAPE) of 2 % during charging and 4 % during discharging. Additionally, a trade-off analysis between computational efficiency and accuracy is conducted, ensuring the model's applicability for real-world scenarios. The findings of this research contribute to the development of computationally efficient BTES models, facilitating better optimization, control, and integration into renewable energy systems. This work provides a foundation for further studies in techno-economic analysis, multi-year performance evaluation, and real-time operational strategies for BTES applications, supporting a more sustainable energy future.

2D modeling↗

NASA NTRS1989

Excitation of linearly stable waves in a multispecies plasma

Excitation of electrostatic modes as a result of the injection of an argon beam into a multispecies plasma is investigated. It is shown that the injection of a warm artificial beam into a thermal plasma may excite waves of significant amplitude with a range of phase velocities which are linearly stable. These waves appear as a result of the correlation between motions of an individual particle in a Vlasov fluid. When the free energy is derived from a warm beam and the linear instability diminishes due to the large temperature of the beam, the competing mechanism of thermal fluctuations is responsible for the main excitation of waves. This mechanism is valid for the various modes in a multispecies plasma, with a higher enhancement at the lower-hybrid than at the ion-ion-hybrid modes.

Roth, Ilan↗

NASA NTRS1990

Carbon deposition model for oxygen-hydrocarbon combustion. Task 6: Data analysis and formulation of an empirical model

The formation and deposition of carbon (soot) was studied in the Carbon Deposition Model for Oxygen-Hydrocarbon Combustion Program. An empirical, 1-D model for predicting soot formation and deposition in LO2/hydrocarbon gas generators/preburners was derived. The experimental data required to anchor the model were identified and a test program to obtain the data was defined. In support of the model development, cold flow mixing experiments using a high injection density injector were performed. The purpose of this investigation was to advance the state-of-the-art in LO2/hydrocarbon gas generator design by developing a reliable engineering model of gas generator operation. The model was formulated to account for the influences of fluid dynamics, chemical kinetics, and gas generator hardware design on soot formation and deposition.

Makel, Darby B.↗

NASA NTRSDate not supplied

Cryogenic Propellant Tank Self-Pressurization and Active Pressure Control

This AIAA Short Course lecture will present an overview of different experiments and computational modeling work that has been done to examine different aspects of pressurization and pressure control of a Cryogenic propellant tank. The lecture will cover several large-scale ground-based liquid Hydrogen cryogenic self-pressurization experiments that were performed at NASA Glenn and NASA Marshall, LN2 Nitrogen autogenous pressurization experiments, pressure control experiments using both subcooled jet mixing and subcooled droplet injection, and experiments that examined pressure drops that occur during tank sloshing. Numerical modeling and simulations that were done in association to these experiments as part of a comprehensive model validation effort will also be presented and discussed. Finally, the results of two simulant fluid pressurization and pressure control microgravity investigations performed as part of the Tank Pressure Control Experiment (TCPE) and The Zero-Boil-Off Tank (ZBOT)Experiment will also be presented.

Propellant Management↗

DOE OSTI2020

Two-phase operation of a Terry steam turbine using air and water mixtures as working fluids

Terry steam turbines are employed in the safety systems of many nuclear Boiling Water Reactors to drive pumps and provide cooling water to the nuclear reactor core. While the turbine efficiency is low, the more important feature is high reliability under off-normal conditions. An important aspect of reliability is the ability to function with two-phase steam-water injection into the turbine, as most likely occurred in the Fukushima Dai-ichi nuclear accidents. This study investigates the characteristics of a Terry turbine during air-water injection with gas mass fractions ranging from 1 (dry gas) to 0.05 (wet gas), to better understand the Terry turbine’s true operational capabilities and provide justification for extended Terry turbine use for reactor safety. Other parameters investigated are the inlet pressure, the exhaust backpressure and the turbine’s rotational speed. The turbine performance is presented in terms of dynamometer loading and pump performance change as functions of the gas mass fraction.

42 ENGINEERING↗

DOE OSTI2012

h and hp -adaptive finite elements with local ALE for modeling turbulent reactive flow in engines with injection

LANL and our collaborators are facilitating the effort for predictive internal combustion engine modeling. We are developing an hp -adaptive finite element methods (FEM) software that provides a high degree of accuracy and solution robustness. This FEM projection method, a predictor-corrector scheme (PCS) has excellent capability over all flow regimes. The system is applicable to Newtonian and non-Newtonian fluids, turbulent reactive flows with sprays and using a new local ALE method for immersed moving parts. These algorithms are capable of representing the physics within an engine. T-3 and its collaborators provide software that many use directly for engine simulation or that they may alter with various models. KIVA software is in use worldwide by hundreds of Universities and dozens of corporations involved in research, engine design and manufacturing. We are working to deliver a more predictive capability to help in the understanding of combustion engines, thereby providing for greater efficiency and lower unwanted emissions.

02 PETROLEUM↗

NASA NTRS2004

Buoyancy Effects on Flow Structure and Instability of Low-Density Gas Jets

A low-density gas jet injected into a high-density ambient gas is known to exhibit self-excited global oscillations accompanied by large vortical structures interacting with the flow field. The primary objective of the proposed research is to study buoyancy effects on the origin and nature of the flow instability and structure in the near-field of low-density gas jets. Quantitative rainbow schlieren deflectometry, Computational fluid dynamics (CFD) and Linear stability analysis were the techniques employed to scale the buoyancy effects. The formation and evolution of vortices and scalar structure of the flow field are investigated in buoyant helium jets discharged from a vertical tube into quiescent air. Oscillations at identical frequency were observed throughout the flow field. The evolving flow structure is described by helium mole percentage contours during an oscillation cycle. Instantaneous, mean, and RMS concentration profiles are presented to describe interactions of the vortex with the jet flow. Oscillations in a narrow wake region near the jet exit are shown to spread through the jet core near the downstream location of the vortex formation. The effects of jet Richardson number on characteristics of vortex and flow field are investigated and discussed. The laminar, axisymmetric, unsteady jet flow of helium injected into air was simulated using CFD. Global oscillations were observed in the flow field. The computed oscillation frequency agreed qualitatively with the experimentally measured frequency. Contours of helium concentration, vorticity and velocity provided information about the evolution and propagation of vortices in the oscillating flow field. Buoyancy effects on the instability mode were evaluated by rainbow schlieren flow visualization and concentration measurements in the near-field of self-excited helium jets undergoing gravitational change in the microgravity environment of 2.2s drop tower at NASA John H. Glenn Research Center. The jet Reynolds number was varied from 200 to 1500 and jet Richardson number was varied from 0.72 to 0.002. Power spectra plots generated from Fast Fourier Transform (FFT) analysis of angular deflection data acquired at a temporal resolution of 1000Hz reveal substantial damping of the oscillation amplitude in microgravity at low Richardson numbers (~0.002). Quantitative concentration data in the form of spatial and temporal evolutions of the instability data in Earth gravity and microgravity reveal significant variations in the jet flow structure upon removal of buoyancy forces. Radial variation of the frequency spectra and time traces of helium concentration revealed the importance of gravitational effects in the jet shear layer region. Linear temporal and spatio-temporal stability analyses of a low-density round gas jet injected into a high-density ambient gas were performed by assuming hyper-tan mean velocity and density profiles. The flow was assumed to be non parallel. Viscous and diffusive effects were ignored. The mean flow parameters were represented as the sum of the mean value and a small normal-mode fluctuation. A second order differential equation governing the pressure disturbance amplitude was derived from the basic conservation equations. The effects of the inhomogeneous shear layer and the Froude number (signifying the effects of gravity) on the temporal and spatio-temporal results were delineated. A decrease in the density ratio (ratio of the density of the jet to the density of the ambient gas) resulted in an increase in the temporal amplification rate of the disturbances. The temporal growth rate of the disturbances increased as the Froude number was reduced. The spatio-temporal analysis performed to determine the absolute instability characteristics of the jet yield positive absolute temporal growth rates at all Fr and different axial locations. As buoyancy was removed (Fr . 8), the previously existing absolute instability disappeared at all locations establhing buoyancy as the primary instability mechanism in self-excited low-density jets.

Pasumarthi, Kasyap Sriramachandra↗

DOE OSTI2019

Frankenstein’s ROMster: Avoiding pitfalls of reduced-order model development

Reduced-order models (ROMs) are a widely used and powerful approach to reducing the complexity of predictive physics-based numerical simulations for a wide range of applications, including electronics and fluid mechanics such as geologic CO 2 sequestration (GCS). ROMs are critical for optimization, sensitivity analysis, model calibration and uncertainty quantification where full-order models cannot be feasibly executed many times. Traditional approaches generate a single ROM for each simulated response (e.g., CO 2 injection rates, pH changes) based on a set of training simulations. Here, we demonstrate that a single ROM can display excellent overall predictive statistics, but have predictions that dramatically and unacceptably deviate from simulator responses especially when the response variable has a large range (i.e., vary over multiple orders of magnitude). For example, we show that a traditional statistically-high-performing GCS ROM (coefficient of determination R 2 of 0.99) can have average absolute relative errors of over 200%. To address this, we propose a new and novel approach where a set of sub-ROMs are generated to overcome the potential pitfalls in traditional single ROM development. The effectiveness of the proposed approach—the ROMster framework—is demonstrated using a case study of predicted CO 2 injection rates for GCS. We find our approach is a robust and general framework for ROM development, reducing the average “error” from 200% to only 4% in our case study.

54 ENVIRONMENTAL SCIENCES↗