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Theoretical Calculation and Validation of the Water Vapor Continuum Absorption

The primary objective of this investigation is the development of an improved parameterization of the water vapor continuum absorption through the refinement and validation of our existing theoretical formalism. The chief advantage of our approach is the self-consistent, first principles, basis of the formalism which allows us to predict the frequency, temperature and pressure dependence of the continuum absorption as well as provide insights into the physical mechanisms responsible for the continuum absorption. Moreover, our approach is such that the calculated continuum absorption can be easily incorporated into satellite retrieval algorithms and climate models. Accurate determination of the water vapor continuum is essential for the next generation of retrieval algorithms which propose to use the combined constraints of multi-spectral measurements such as those under development for EOS data analysis (e.g., retrieval algorithms based on MODIS and AIRS measurements); current Pathfinder activities which seek to use the combined constraints of infrared and microwave (e.g., HIRS and MSU) measurements to improve temperature and water profile retrievals, and field campaigns which seek to reconcile spectrally-resolved and broad-band measurements such as those obtained as part of FIRE. Current widely used continuum treatments have been shown to produce spectrally dependent errors, with the magnitude of the error dependent on temperature and abundance which produces errors with a seasonal and latitude dependence. Translated into flux, current water vapor continuum parameterizations produce flux errors of order 10 W/ml, which compared to the 4 W/m' magnitude of the greenhouse gas forcing and the 1-2 W/m' estimated aerosol forcing is certainly climatologically significant and unacceptably large. While it is possible to tune the empirical formalisms, the paucity of laboratory measurements, especially at temperatures of interest for atmospheric applications, preclude tuning the empirical continuum models over the full spectral range of interest for remote sensing and climate applications. Thus, we propose to further develop and refine our existing far-wing formalism to provide an improved treatment applicable from the near-infrared through the microwave. Based on the results of this investigation, we will provide to the remote sensing/climate modeling community a practical and accurate tabulation of the continuum absorption covering the near-infrared through the microwave region of the spectrum for the range of temperatures and pressures of interest for atmospheric applications.

Ma, Qiancheng↗

A Lattice Boltzmann Method for Predicting Porous Transport Layer Performance During Electrolysis

Electrolysis, the splitting of water into oxygen and hydrogen using electricity, is a sustainable way to produce green hydrogen for energy storage. In polymer electrolyte membrane (PEM) water electrolysis, water is brought into contact with charged catalyst layers and electrochemically separated into oxygen and hydrogen. The hydrogen product formed at the cathode is carried through the catalyst layer for eventual collection, while the oxygen by-product formed at the anode is removed from the surface via a multiphase interaction with circulating water and a solid porous transport layer (PTL). The design of this PTL aids in the detachment and advection of the oxygen by-product and thereby plays a role in the overall efficacy of the catalyst. In this presentation, we present our initial results modeling this multiphase system using a single-component, multiphase lattice Boltzmann method. We use the Shan-Chen model describing inter-particle forces to capture both the cohesion of the water (liquid) and oxygen (gas) phases and their interaction with the PTL (solid) (Shan and Chen, 1993). We use a Carnahan-Starling equation of state to model the effective density governing these inter-particle interactions which allows us to model this relatively high density ratio system (Carnahan and Starling, 1969). With these simulations, we show that the geometry and heterogeneity of the PTL geometry plays a large role in its ability to move oxygen away from the catalyst layer and the resulting bubble structures that are formed within the PTL. The current work demonstrates these effects using synthesized PTL geometries and 2D physics, which will be extended to experimentally-imaged PTL sections and 3D algorithms in the near future.

Boltzmann↗

Extraction technique for the determination of oxygen-18 in water using preevacuated glass vials

The need for a rapid, inexpensive technique for routine 18O/16O extraction from water has arisen recently through applications in the medical sciences and in hydrology. The traditional experimental technique for determining the oxygen isotope composition of water, the CO2-H2O equilibration method, is tedious, time consuming, and involves the use of custom-made glass apparatus. Furthermore, because of potential memory effects from one sample to the next, the glassware needs to be thoroughly cleaned between runs. A few attempts have been made to improve upon the method. Attempts to analyze water directly in the source of the mass spectrometer produced large memory effects and questionable results. Commercially available apparatus for automated extraction of 18O/16O from water is generally prohibitively expensive and often is designed to interface only with the manufacturer's own mass spectrometer. The method described in this paper utilizes inexpensive, off-the-shelf, preevacuated, glass vials. Preevacuated vials have been used by others for the isotopic analysis of breath CO2 and are well tested. The vials can be purchased in bulk from scientific apparatus suppliers at a relatively low cost. These are coupled with a simplified extraction line consisting of a stainless steel syringe needle and a glass cold trap. Vials are filled with CO2 and H2O and shaken in a constant-temperature water bath for at least 90 min. Since the vials are discarded after use, no cleaning is necessary, essentially eliminating any memory effect. Reproducibility is generally better than +/- 0.05%. The only reagents required are gaseous CO2 for equilibration, a dry ice/alcohol mixture for trapping water, and liquid nitrogen for transferring the CO2.

NASA Discipline Number 52-10↗

Towards an Indian Land Data Assimilation System (ILDAS): A Coupled Hydrologic-Hydraulic System for Water Balance Assessments

Effective management of water resources requires reliable estimates of land surface states and fluxes, including water balance components. But most land surface models run in uncoupled mode and do not produce river discharge at catchment scales to be useful for water resources management applications. Such integrated systems are also rare over India where hydrometeorological extremes have wreaked havoc on the economy and people. So, an Indian Land Data Assimilation System (ILDAS) with a coupled land surface and a hydrodynamic model has been developed and driven by multiple meteorological forcings (0.1°, daily) to estimate land surface states, channel discharge, and floodplain inundation. ILDAS benefits from an integrated framework as well as the largest suite of observation records collected over India and has been used to produce a reanalysis product for 1981–2021 using four forcing datasets, namely, Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2), Climate Hazards Group InfraRed Precipitation with Station data (CHIRPS), ECMWF’s ERA-5, and Indian Meteorological Department (IMD) gridded precipitation. We assessed the uncertainty and bias in these precipitation datasets and validated all major components of the terrestrial water balance, i.e., surface runoff, soil moisture, terrestrial water storage anomalies, evapotranspiration, and streamflow, against a combination of satellite and in situ observation datasets. Our assessment shows that ILDAS can represent the hydrological processes reasonably well over the Indian landmass with IMD precipitation showing the best relative performance. Evaluation against ESA-CCI soil moisture shows that MERRA-2 based estimates outperform the others, whereas ERA-5 performs best in simulating evapotranspiration when evaluated against MODIS ET. Evaluations against observed records show that CHIRPS-based estimates have the highest performance in reconstructing surface runoff and streamflow. Once operational, this system will be useful for supporting transboundary water management decision making in the region.

Indian Land Data Assimilation System (ILDAS)↗

Supercritical Water Oxidation (SCWO) Trade Study and 2021 Final Report

SCWO is a promising technology whose main benefits is that it is capable of completely mineralizing organic compounds in wastewater and separating inorganic salts. This means that SCWO can theoretically function as a single step water treatment system. It performs the functions of both the primary treatment system and the secondary brine drying function to achieve near 100% water recovery. It can also handle solids so no pretreatment of the feed is required. A preliminary trade study indicates that SCWO could be competitive with the ISS state of the art if its power consumption could be reduced. Thermal and mechanical energy recovery system exist that could reduce SCWO energy consumption to a level that is competitive with the state of the art. In addition, increasing the feed wastewaters organic content by including other wastes, such as feces, could produce a reactor that is thermally self-sustaining. There are 5 different types of SCWO reactors. They are; tubular, tank, impingement, transpiring wall reactors (TWR) and super critical water mixing (SCWM) reactors. Of these the best suited for NASA missions are the impingement and SCWM reactors. The impingement reactor is best suited for near term missions because it can treat the low organic content wastewaters such as are expected for initial Lunar and Mars missions and has the ability to remove precipitated inorganic solids. The SCWM reactor is best suited for longer duration CELSS type missions where high organic content wastewater is available and will resolve solids fouling and corrosion issues. In addition, these two reactors have a long NASA heritage and have been developed specifically for space flight application. Tubular reactors suffer from plugging issues which is a safety concern. Tank reactors will increase in size inversely with gravity, which will trade poorly in Lunar and Mars environments where gravity is reduced. TWR reactors require high organic content wastewater feed and the SCWM reactor is an optimized version of the TWR for NASA applications. It is recommended that in FY 2022 NASA continue to fully evaluate the ability of SCWO to produce potable water and remove inorganics as a solid byproduct. This should be done using the impingement reactor for near term missions and SCWM for longer duration missions. NASA should also develop optimized recuperative heat exchangers and pressure recovery devices to reduce power consumption and investigate inclusion of feces and other organic wastes into the wastewater model to increase its organic content and further reduce thermal energy requirements.

Supercritical Water Oxidation↗

Investigation of environmental indices from the Earth Resources Technology Satellite

The author has identified the following significant results. Land use, quality, and air quality trends are being deduced from both ERTS-1 MSS and computer compatible tapes. The data analysis plan and the preliminary data analysis phase were conducted in January 1973. Results from these two phases are: (1) Method of analysis has been selected and checked out. (2) Land use for two dates have been generated for one test site. (3) Water quality for one date has been produced partially. (4) Air quality for three has been produced and compared with ground truth. (5) One of the two DCP stations is in operation; the second station will be installed in March 1973. Land use classification exceeds pre-launch expectations. Water quality (turbidity) is not progressing as expected. Finally, mesoscale air quality results have shown correlation with NOAA/EPA turbidity network. If air quality correlations continue to show favorable results, a rapid means of global turbidity may be available from ERTS-1 MSS observations.

Greeley, R. S.↗

Development of Techniques to Investigate Sonoluminescence as a Source of Energy Harvesting

Instrumentation techniques are being developed at NASA Glenn Research Center to measure optical, radiation, and thermal properties of the phenomena of sonoluminescence, the light generated using acoustic cavitation. Initial efforts have been directed to the generation of the effect and the imaging of the glow in water and solvents. Several images have been produced of the effect showing the location within containers, without the additions of light enhancers to the liquid. Evidence of high energy generation in the modification of thin films from sonoluminescence in heavy water was seen that was not seen in light water. Bright, localized sonoluminescence was generated using glycerin for possible applications to energy harvesting. Issues to be resolved for an energy harvesting concept will be addressed.

Wrbanek, John D.↗

Advancing hydrogen production: A comprehensive review of wastewater reforming techniques, feedstocks, and opportunities

Wastewater is produced across nearly all human activities and requires treatment to safeguard human health and the natural environment. Treatment of wastewater often requires a large amount of thermal energy, resulting in wasted heat after the treatment process. Because hydrocarbon reforming needs both water and heat, the integration of wastewater treatment with hydrocarbon reforming, a process that produces synthesis gas rich in hydrogen, offers an excellent opportunity to utilize this waste heat and the impurities in wastewater to produce valuable hydrogen gas, to minimize waste from industrial processes, and to integrate water treatment with the hydrogen economy. Yet, no comprehensive literature review has been conducted to examine the integration of reforming and wastewater. To address this lack, we summarize the variety of catalytic reforming techniques available in the open literature and review the current literature on wastewater reforming with these techniques. Subsequently, we conduct a review of common types of wastewater contaminants and their possible effects on reforming catalyst performance and life. Lastly, three underexamined wastewater sources are identified, namely, oilfield wastewater, geothermal water, and mining and mineral processing wastewater, and their potential for future study as a reforming feedstock is examined.

08 HYDROGEN↗

Contributions of GRACE to Climate Monitoring

The NASA/German Gravity Recovery and Climate Experiment (GRACE) was launched in March 2002. Rather than looking downward, GRACE continuously monitors the locations of and precise distance between twin satellites which orbit in tandem about 200 km apart. Variations in mass near Earth's surface cause heterogeneities in its gravity field, which in turn affect the orbits of satellites. Thus scientists can use GRACE data to map Earth's gravity field with enough accuracy to discern month to month changes caused by ocean circulation and redistribution of water stored on and in the land. Other gravitational influences, such as atmospheric circulation, post-glacial rebound, and solid earth movements are either independently determined and removed or are negligible on a monthly to sub-decadal timescale. Despite its coarse spatial (>150,000 sq km at mid-latitudes) and temporal (approx monthly) resolutions, GRACE has enabled significant advancements in the oceanic, hydrologic, and cryospheric science, and has great potential for climate monitoring, because it is the only global observing system able to measure ocean bottom pressures, total terrestrial water storage, and ice mass changes. The best known GRACE results are estimates of Greenland and Antarctic ice sheet loss rates. Previously, scientists had estimated ice mass losses using ground and satellite based altimetry and surface mass balance estimates based on snowfall accumulation and glacier discharge. While such measurements are still very useful for their spatial detail, they are imperfectly correlated with large-scale ice mass changes, due to snow and ice compaction and incomplete spatial coverage. GRACE enables scientists to generate monthly time series of Greenland and Antarctic ice mass, which have confirmed the shrinking of the polar ice sheets, one of the most obvious and indisputable manifestations of climate change. Further, GRACE has located and quantified hot spots of ice loss in southeastern Greenland and western Antarctica. For 2002 to present, the rate of ice mass loss has been 200 to 300 GT/yr in Greenland and 70 to 210 GT/yr in Antarctica, and some scientists are suggesting that the rates are accelerating. Similarly, GRACE has been used to monitor mass changes in alpine glaciers. Tamisiea et al. first characterized glacier melt along the southern coast of Alaska, more recently estimated to be occurring at a rate of 84 GT/yr. Chen et al. estimated that Patagonian glaciers are melting at a rate of 28 GT/yr, and estimated that the high mountains of central Asia lose ice at a rate of 47 GT/yr. Tapley et al. and Wahr et al. presented the first GRACE based estimates of changes in column-integrated terrestrial water storage (TWS; the sum of ground-water, soil moisture, surface waters, snow, ice, and water stored in vegetation) at continental scales. Since then, dozens of studies have shown that GRACE based estimates of regional to continental scale TWS variations agree with independent information, and some innovative uses of GRACE data have been developed. Rodell et al. (2004) and Swenson and Wahr (2006) demonstrated that by combining GRACE derived terrestrial water storage changes with observations of precipitation and runoff in a river basin scale water budget, it was possible to produce new estimates of evapotranspiration and atmospheric moisture convergence, essential climate variables that are difficult to estimate accurately. Similarly, GRACE has been used to constrain estimates of global river discharge and the contribution of changes in TWS to sea level rise. Crowley et al. observed a negative correlation between interannual TWS anomalies in the Amazon and the Congo River basin. Yeh et al. and Rodell et al. estimated regionally averaged groundwater storage variations based on GRACE and auxiliary observations. Rodell et al. and Tiwari et al. applied that method to quantify massive groundwater depletion in northern India caused by over reliance on aquifers for irration, and Famiglietti et al. found a similar situation in California's Central Valley. Zaitchik et al. and Lo et al. described approaches to use GRACE to constrain hydrological models, enabling integration of GRACE data with other observations and achieving much higher spatial and temporal resolutions than GRACE alone. Such approaches are now supporting applications including drought and water resources monitoring. Oceanography has likewise benefitted from the independent nature of GRACE observations. One application is measurement of the mass component of sea level rise, which complements radar altimetry and in situ measurements. GRACE also measures ocean bottom pressures (OBP), which help to refine understanding and modeling of ocean circulation and the ocean's fresh water budget, among other things. For example, Hayakawa et al. showed that GRACE observes OBP patterns absent from the background models of oceanic variability. Morison et al. used GRACE to describe important decadal scale shifts in circulation and an ongoing trend of freshening of the western Arctic, important indicators of climate variability. The research of Song and Zlotnicki and Chambers and Willis on GRACE-derived ocean bottom pressures in the sub-polar gyre led to the discovery of an ENSO teleconnection and a long-term change in OBP in the North Pacific sub-polar gyre that was not predicted by an ocean model. Further, Chambers and Willis were able to identify an internal redistribution of mass between Atlantic and Pacific Oceans lasting at least six years, which was not predicted by ocean models and was the first direct evidence of sustained mass transport from one ocean basin to another on periods longer than a year. Boening et al. observed a record increase in OBP over part of the southeastern Pacific in late 2009 and early 2010, primarily caused by wind stress curl associated with a strong and persistent anticyclone and likely related to the concurrent Central Pacific El Nino. GRACE has far surpassed its 5-year design lifetime, but it will likely succumb to the aging of batteries and instrument systems sometime in the next few years. NASA has begun initial development of a follow-on to GRACE with very similar design, which could launch as soon as 2016 and would provide continuity in the data record while improving resolution slightly. Higher resolution time variable gravity missions are also on the drawing board .

Rodell, Matthew↗

Cassini/CIRS Observations of Water Vapor in Saturn's Stratosphere

The Composite Infrared Spectrometer (CIRS) on the Cassini spacecraft has obtained numerous spectra of Saturn at varying spectral and spatial resolutions since Saturn Orbit Insertion in 2004. Emission lines due to water vapor in Saturn's stratosphere were first detected using whole-disk observations from the Infrared Space Observatory (Feuchtgruber et al 1997) and subsequently confirmed by the Submillimeter Wave Astronomy Satellite (Rergin et al 2000). CIRS has detected water and the data permit the retrieval of the latitudinal variation of water on Saturn. Emission lines of H2O on Saturn are very weak in the CIRS data. Thus. large spectral averages as well as improvements in calibration are necessary to detect water vapor. Zonally averaged nadir spectra were produced every 10 degrees of latitude. Stratospheric temperatures in the 0.5 - 5.0 mbar range were obtained by inverting spectra of CH4 in the v4 band centered at 1304 cm(exp -1). The origin of water vapor is believed to be from the ablation of micrometeorites containing water ice, followed by photochemistry. This external source of oxygen originates either from the Saturn system (from the rings or perhaps from Enceladus) or from the interplanetary medium. Connerney (1986) proposed a mechanism to transport water from the inner edge of the B-ring along magnetic field lines to specific latitudes (50N and 44S) on Saturn. Prange et al (2006) interpreted a minimum in the abundance of acetylene from ultraviolet spectra near 41S on Saturn as possibly due to an enhanced influx of water. Existing CIRS far-IR spectra are at relatively low spatial resolution, but observations at closer range planned for the extended mission will be able to test the "ring rain" mechanism by searching for localized water vapor enhancement at midlatitudes.

Bjoraker, G. L.↗

A reaction mechanism for plasma electrolysis of AgNO 3 forming silver nanoclusters and nanoparticles

In plasma-driven solution electrolysis (PDSE), gas-phase plasma-produced species interact with an electrolytic solution to produce, for example, nanoparticles. An atmospheric pressure plasma jet (APPJ) directed onto a liquid solution containing a metallic salt will promote reduction of metallic ions in solution, generating metallic clusters that nucleate to form nanoparticles. In this article, results from a computational investigation are discussed of a PDSE process in which a radio-frequency APPJ sustained in helium impinges on a silver nitrate solution, resulting in growth of silver nanoparticles. A reaction mechanism was developed and implemented in a global plasma chemistry model to predict nanoparticle growth. To develop the reaction mechanism, density functional theory was used to generate probable silver growth pathways up to Ag 9 . Neutral clusters larger than Ag 9 were classified as nanoparticles. Kinetic reaction rate coefficients for thermodynamically favorable growth pathways were estimated based on an existing, empirically determined base reaction mechanism for smaller Ag particle interactions. These rates were used in conjunction with diffusion-controlled reaction rate coefficients that were calculated for other Ag species. The role of anions in reduction of Agn ions in forming nanoparticles is also discussed. Oxygen containing impurities or admixtures to the helium, air entrainment into the APPJ, and dissociation of saturated water vapor above the solution can produce additional reactive oxygen species in solution, resulting in the production of anions and O 2 – in particular. For a given molarity, delivering a sufficient fluence of reducing species will produce similar nanoparticle densities and sizes for all applied power levels. In conclusion, comparisons are made to alternate models for nanoparticle formation, including charged nanoparticles and use of direct current plasmas.

36 MATERIALS SCIENCE↗

Escape of H and D from Mars' Atmosphere and the Evolution of its Crustal Water Reservoirs

The evolution of water on Mars involves preferential escape of hydrogen over deuterium, producing its deuterium rich atmosphere with a D/H ratio 5.2 times that of terrestrial water. In the past decade, several estimates have been made of the magnitudes of current and ancient crustal water reservoirs on Mars that freely exchange with its atmosphere. Some of the differences in the magnitudes of the reservoirs are influenced by differences in the following basic parameters: composition of H, D, H2 and HD at the exobase; thermal history of the atmosphere; escape mechanisms; and the D/H ratio of earlier epochs as inferred from meteorites. The dominant escape mechanism used in the estimates is Jeans escape. However, the Jeans escape flux is enhanced considerably when atmospheric winds and rotation are applied at the exobase . This constraint is of particular importance because the enhancement of the D escape flux can be an order of magnitude greater than the enhancement of the H escape flux. This preferential enhancement of the D escape flux over that of H means that a great deal more H must escape (than in the case without winds and rotation) to attain the same D/H ratio in the today's atmosphere. Another new constraint on reservoir magnitudes comes from the recent interpretation of Martian meteorite data, which suggests that the D/H ratio was 2 times that of terrestrial water at the end of the heavy bombardment period (1). These two constraints together lead to larger current and ancient crustal water reservoirs. Applying Rayleigh fractionation, new estimates of the sizes of the water reservoirs are made using the above constraints along with plausible values for hydrogen and deuterium densities, temperatures, wind speeds and rotation rates at the exobase.

Hartle, Richard E.↗

Osmoregulation in marine mammals

Osmoregulation in marine mammals has been investigated for over a century; however, a review of recent advances in our understanding of water and electrolyte balance and of renal function in marine mammals is warranted. The following topics are discussed: (i) kidney structure and urine concentrating ability, (ii) sources of water, (iii) the effects of feeding, fasting and diving, (iv) the renal responses to infusions of varying salinity and (v) hormonal regulation. The kidneys of pinnipeds and cetaceans are reniculate in structure, unlike those of terrestrial mammals (except bears), but this difference does not confer any greater concentrating ability. Pinnipeds, cetaceans, manatees and sea otters can concentrate their urine above the concentration of sea water, but only pinnipeds and otters have been shown to produce urine concentrations of Na+ and Cl- that are similar to those in sea water. This could afford them the capacity to drink sea water and not lose fresh water. However, with few exceptions, drinking is not a common behavior in pinnipeds and cetaceans. Water balance is maintained in these animals via metabolic and dietary water, while incidental ingestion and dietary salt may help maintain electrolyte homeostasis. Unlike most other aquatic mammals, sea otters commonly drink sea water and manatees frequently drink fresh water. Among the various taxonomic groups of marine mammals, the sensitivity of the renin-angiotensin-aldosterone system appears to be influenced by the availability of Na+. The antidiuretic role of vasopressin remains inconclusive in marine mammals, while the natriuretic function of atrial natriuretic peptide has yet to be examined. Ideas on the direction of future studies are presented.

Non-NASA Center↗

Liquid Water in the Extremely Shallow Martian Subsurface

Availability of liquid water is one of the major constraints for the potential Martian biosphere. Although liquid water is unstable on the surface of Mars due to low atmospheric pressures, it has been suggested that liquid films of water could be present in the Martian soil. Here we explored a possibility of the liquid water formation in the extremely shallow (1-3 cm) subsurface layer under low atmospheric pressures (0.1-10 mbar) and low ("Martian") surface temperatures (approx.-50 C-0 C). We used a new Goddard Martian simulation chamber to demonstrate that even in the clean frozen soil with temperatures as low as -25C the amount of mobile water can reach several percents. We also showed that during brief periods of simulated daylight warming the shallow subsurface ice sublimates, the water vapor diffuses through porous surface layer of soil temporarily producing supersaturated conditions in the soil, which leads to the formation of additional liquid water. Our results suggest that despite cold temperatures and low atmospheric pressures, Martian soil just several cm below the surface can be habitable.

Pavlov, A.↗

An Overview of the Lunar Water ISRU Measurement Study (LWIMS)

NASA announced plans for the Artemis program, which would send crewed missions to the Moon by 2024 and achieve a sustainable lunar presence by 2028 [1]. To carry out sustained crewed surface operations, In-Situ Resource Utilization (ISRU), which would use lunar resources to produce mission consumables, will be critical. Water-bearing materials have been identified at both lunar poles and are often associated with Permanently Shadowed Regions (PSRs). These constitute a geological resource that may or may not be convertible to reserves with additional exploration. This water could provide both fuel and oxygen for refueling vehicles as well as life support consumables. However, the nature and extent of this resource is not well understood. Detection of water alone is not adequate for ISRU planning. For this reason, NASA chartered the Lunar Water ISRU Measurement Study (LWIMS). The goal of this study was to assess and define the type, amount, and fidelity of the measurements needed to select mining locations for lunar water ISRU and to define resource-related requirements for ISRU hardware development and architectures (mining operations, hardware emplacement, concept of operations).

Julie Kleinhenz↗

Optimization of Water-Alternating-CO2 Injection Field Operations Using a Machine-Learning-Assisted Workflow

Summary This paper will present a robust workflow to address multiobjective optimization (MOO) of carbon dioxide (CO2)-enhanced oil recovery (EOR)-sequestration projects with a large number of operational control parameters. Farnsworth unit (FWU) field, a mature oil reservoir undergoing CO2 alternating water injection (CO2-WAG) EOR, will be used as a field case to validate the proposed optimization protocol. The expected outcome of this work would be a repository of Pareto-optimal solutions of multiple objective functions, including oil recovery, carbon storage volume, and project economics. FWU’s numerical model is used to demonstrate the proposed optimization workflow. Because using MOO requires computationally intensive procedures, machine-learning-based proxies are introduced to substitute for the high-fidelity model, thus reducing the total computation overhead. The vector machine regression combined with the Gaussian kernel (Gaussian-SVR) is used to construct proxies. An iterative self-adjusting process prepares the training knowledge base to develop robust proxies and minimizes computational time. The proxies’ hyperparameters will be optimally designed using Bayesian optimization to achieve better generalization performance. Trained proxies will be coupled with multiobjective particle swarm Optimization (MOPSO) protocol to construct the Pareto-front solution repository. The outcomes of this workflow will be a repository containing Pareto-optimal solutions of multiple objectives considered in the CO2-WAG project. The proposed optimization workflow will be compared with another established methodology using a multilayer neural network (MLNN) to validate its feasibility in handling MOO with a large number of parameters to control. Optimization parameters used include operational variables that might be used to control the CO2-WAG process, such as the duration of the water/gas injection period, producer bottomhole pressure (BHP) control, and water injection rate of each well included in the numerical model. It is proved that the workflow coupling Gaussian-SVR proxies and the iterative self-adjusting protocol is more computationally efficient. The MOO process is made more rapid by squeezing the size of the required training knowledge base while maintaining the high accuracy of the optimized results. The outcomes of the optimization study show promising results in successfully establishing the solution repository considering multiple objective functions. Results are also verified by validating the Pareto fronts with simulation results using obtained optimized control parameters. The outcome from this work could provide field operators an opportunity to design a CO2-WAG project using as many inputs as possible from the reservoir models. The proposed work introduces a novel concept that couples Gaussian-SVR proxies with a self-adjusting protocol to increase the computational efficiency of the proposed workflow and to guarantee the high accuracy of the obtained optimized results. More importantly, the workflow can optimize a large number of control parameters used in a complex CO2-WAG process, which greatly extends its utility in solving large-scale MOO problems in various projects with similar desired outcomes.

Energy & Fuels↗

Comparative Techno-Economic and Life Cycle Analysis of Water Oxidation and Hydrogen Oxidation at the Anode in a CO 2 Electrolysis to Ethylene System

We compare the economic viability of employing hydrogen oxidation versus water oxidation at the anode of a commercial-scale electrolysis plant that converts CO 2 to ethylene. We vary the electrolyzer capital cost, membrane lifetime, and renewable electricity price to represent a current and future market scenario. We find that anodic hydrogen oxidation with membraneless reactor design can reduce the electrolyzer capital cost by up to 48% and reduce electricity demand by at least 50% with the current underdeveloped electrolyzer market. These capital and operating cost savings could further lead to a lower ethylene production cost from anodic hydrogen oxidation than the anodic water oxidation system with hydrogen supplied at less than $\$6$ kg. In the future scenario with a fully developed electrolyzer market and cheap renewable electricity, we find that the anodic hydrogen oxidation system requires hydrogen cheaper than $0.7/kg to compete with the anodic water oxidation system. Moreover, hydrogen oxidation at the anode enables extremely low cradle-to-gate emission ethylene by utilizing negative emission hydrogen such as biomass gasification with carbon capture and sequestration, ~240% lower than ethylene produced from the wind/solar electricity-driven water oxidation system. Furthermore, this low carbon footprint ethylene can further boost the economic competitiveness for anodic hydrogen oxidation with a future carbon credit market.

54 ENVIRONMENTAL SCIENCES↗

Carbon dioxide hydrate and floods on Mars

Ground ice on Mars probably consists largely of carbon dioxide hydrate. This hydrate dissociates upon release of pressure at temperatures between 0 and 10 C. The heat capacity of the ground would be sufficient to produce up to 4% (by volume) of water at a rate equal to that at which it can be drained away. Catastrophic dissociation of carbon dioxide hydrate during some past epoch when the near-surface temperature was in this range would have produced chaotic terrain and flood channels.

Milton, D. J.↗