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DOE OSTI2022

EERC Final Topical Report – Findings on Subtask 3.2 – Produced Water Management Through Geologic Homogenization, Conditions, and Reuse

The Energy & Environmental Research Center (EERC) was awarded a contract by the North Dakota Industrial Commission (NDIC) Oil and Gas Research Program (NDIC No. G-051-101) to conduct a study on the recycling of water used in oil and gas operations, also known as produced water, from oil- and gas-producing regions of North Dakota as directed by Section 19 of North Dakota House Bill 1014. This final report provides a compilation of results of the study, which include regulatory, scientific, technological, and feasibility methods and considerations associated with North Dakota produced water management. The report provides a synopsis of this project’s previously submitted produced water assessment report entitled “Produced Water Management and Recycling Options in North Dakota” (Energy & Environmental Research Center, 2020), with updated values provided as appropriate. The report provides the results from the investigation of a novel produced water management strategy, referred to as geologic homogenization, conditioning, and reuse (GHCR), which aims to use a subsurface geologic formation as a natural medium for managing produced water recycling and reuse. Water management is a significant technical and economic challenge for sustainable oil and gas production, and water volumes are intrinsically linked to oil production volumes. North Dakota oil production rose to over 1.5 million barrels (MMbbl)/day in 2019, and despite a downturn in oil price in early 2020, North Dakota oil production has recovered to 1.1 MMbbl/day as of August 2021. Bakken petroleum system development between 2008 and 2020 has resulted in a nearly fourfold increase in produced water volumes to 642 MMbbl/yr in 2020 after peaking at 740 MMbbl/yr in 2019 and a fivefold increase in saltwater disposal (SWD) volumes to 565 MMbbl/yr in 2020 after a peak of 682 MMbbl/yr in 2019. Produced water and SWD volumes are forecasted to double by 2030. SWD is the primary method of produced water management used in North Dakota, with approximately 95% of the SWD volume occurring through subsurface injection into sandstones of the Dakota Group (Dakota). Localized pressurization of the Dakota resulting from SWD and projected increases in produced water volumes could impact the economics of North Dakota oil production. As a result, there is an emerging need to pursue alternative produced water management approaches, including recycling and reuse. While produced water recycling is not yet widespread, commercial operators are making strides in overcoming the technical challenges of using high salinity produced water in completion operations (Marathon Oil, 2020). As water management continues to be a key focal point in companies’ environmental, social, and governance (ESG) initiatives, focus on water management, including recycling, will likely continue to increase. Laboratory column testing, field sample collection, geologic modeling and numerical simulation, and techno-economic analysis all indicate that GHCR could feasibly be implemented as a potential water management option. Laboratory column testing and field sample collection indicate that the Inyan Kara sandstone and native formation fluid are capable of homogenizing with the Bakken produced water to a point where the fluid composition appears to stabilize. Extracting that stabilized fluid could be considered homogeneous and capable of providing individual batches of hydraulic fracturing fluid. Numerical simulation results indicate that extraction of fluids from the Inyan Kara in a GHCR implementation scenario is capable of reducing formation pressure, which would help ease localized pressurization of the Inyan Kara and extend the available capacity for nearby existing SWD wells. Economic analysis indicates that there are scenarios where GHCR implementation can be a competitive or even lower-cost option than a conventional water management approach. Site-specific conditions will dictate the economic potential of GHCR, but potentially attractive sites for GHCR implementation will be those that are located above a pressurized zone of the Inyan Kara, need six or more Bakken infill wells, and face high costs for conventional SWD and/or freshwater. Based on the regulatory review, drilling into the Inyan Kara for SWD and to harness as a source water for industrial use have precedent in North Dakota, and a workable regulatory solution for GHCR seems likely. However, restrictions in the state regarding surface storage and transport of produced fluids may limit some activities, which will affect how GHCR could ultimately be implemented. In summary, this study reveals pursuing GHCR can be a viable approach to water management in North Dakota. The GHCR concept addresses some of the challenges that hinder the more traditional approaches to recycling in the industry. Furthermore, an assessment of the current landscape of water management within the state reveals the ongoing trend of increasing volumes of produced water and SWD. Projections reveal that the volumes of produced water that need to be managed are expected to double over the next decade (Energy & Environmental Research Center, 2020). With the continued development of the Bakken and continuing driving factors related to ESG initiatives, implementing a practice such as GHCR is a feasible approach to adding recycling of produced water to industry within the state. This subtask was cofunded through the EERC–U.S. Department of Energy Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FE0024233. Nonfederal funding was provided by the North Dakota Industrial Commission Oil and Gas Research Program. References Energy & Environmental Research Center, 2020, Produced water management and recycling options in North Dakota: Final Report for North Dakota Legislative Management Energy Development and Transmission Committee and North Dakota Industrial Commission. Marathon Oil, 2020, Sustainability report: https://cdn.sanity.io/files/ghcnw9z2/website/ 91744eb6ef8fbe59505a911c6b8d2e8dd9a537fa.pdf?dl (accessed November 2021).

02 PETROLEUM↗

DOE OSTI2024

Lignin Deoxygenation for the Production of Sustainable Aviation Fuel Blendstocks

Lignin is an abundant source of renewable aromatics that has long been targeted for valorization. Traditionally, the inherent heterogeneity and reactivity of lignin has relegated it to direct combustion, but its higher energy density compared with polysaccharides makes it an ideal candidate for biofuel production. This Review critically assesses lignin's potential as a substrate for sustainable aviation fuel blendstocks. Lignin can generate the necessary cyclic compounds for a fully renewable, sustainable aviation fuel when integrated with current paraffinic blends and can meet the current demand 2.5 times over. Using an energy-centric analysis, we show that lignin conversion technologies have the near-term potential to match the enthalpic yields of existing commercial sustainable aviation fuel production processes. Key factors influencing the viability of technologies for converting lignin to sustainable aviation fuel include lignin structure, delignification extent, depolymerization performance, and the development of stable and tunable deoxygenation catalysts.

09 BIOMASS FUELS↗

NASA NTRS1990

Habitability: CAMELOT 4

During 1988 to 1989 the NASA/USRA Advanced Design Program sponsored research and design efforts aimed at developing habitability criteria and at defining a habitability concept as a useful tool in understanding and evaluating dwellings for prolonged stays in extraterrestrial space. The Circulating Auto sufficient Mars-Earth Luxurious Orbital Transport (CAMELOT) was studied as a case in which the students would try to enhance the quality of life of the inhabitants by applying architectural design methodology. The study proposed 14 habitability criteria considered necessary to fulfill the defined habitability concept, which is that state of equilibrium that results from the interaction between components of the Individual Architecture Mission Complex, which allows a person to sustain physiological homeostatis, adequate performance, and acceptable social relationships. Architecture, design development, refinements and revisions to improve the quality of life, new insights on artificial gravity, form and constitution problems, and the final design concept are covered.

Alequin, W.↗

NASA NTRS1993

Firmware Development Improves System Efficiency

Most manufacturing processes require physical pointwise positioning of the components or tools from one location to another. Typical mechanical systems utilize either stop-and-go or fixed feed-rate procession to accomplish the task. The first approach achieves positional accuracy but prolongs overall time and increases wear on the mechanical system. The second approach sustains the throughput but compromises positional accuracy. A computer firmware approach has been developed to optimize this point wise mechanism by utilizing programmable interrupt controls to synchronize engineering processes 'on the fly'. This principle has been implemented in an eddy current imaging system to demonstrate the improvement. Software programs were developed that enable a mechanical controller card to transmit interrupts to a system controller as a trigger signal to initiate an eddy current data acquisition routine. The advantages are: (1) optimized manufacturing processes, (2) increased throughput of the system, (3) improved positional accuracy, and (4) reduced wear and tear on the mechanical system.

Chern, E. James↗

NASA NTRSDate not supplied

Sustainable Crop Cultivation in Space Analogs: A BRIDGES Methodology Perspective Through SpaCEA

Sustainable crop cultivation in space holds paramount significance for the support of life in future long-duration missions. This research explores the development and integration of innovative low-cost proof-of-concept (LC-POC) plant growth cabinets tailored for use in space analog missions. By outlining past and current efforts in space farming, this study introduces the SpaCEA Cabinet using BRIDGES framework, establishing a context for reproducible experiments and innovation in plant growth systems. The SpaCEA cabinets can either be delivered in flat packs or assembled on-site, employing cutting-edge methods like 3-D printing and laser cutting. The main objective is to assess how effectively these structures foster crop growth within analog environments while replicating conditions crucial for space exploration. Employing a multi-faceted approach encompassing technical and qualitative dimensions, this project integrates a qualitative investigation where representatives managing analog stations and analog astronauts will partake in interviews and questionnaires to discern specific requirements and challenges within these environments. Insights gained from these engagements will significantly define the final design parameters of updated SpaCEA plant growth cabinets. The practical applicability of these cabinets emphasizes ease of assembly and transportation, addressing the inherent spatial and logistical constraints associated with space missions. Furthermore, the BRIDGES framework ensures the standardization of hardware, software, and data-gathering elements within a unified structure, which utilizes cutting-edge manufacturing technologies for the prototyping and deployment of these cabinets. The anticipated outcomes of this research include the identification of key design considerations and technical specifications for plant growth cabinets tailored to space farming analog systems. This research is poised to contribute valuable knowledge to sustainable space exploration through the development of interoperable plant growth systems for analog environments, advancing research in space crop cultivation which will make up part of a larger bioregenerative life support system.

Advanced Life Support↗

NASA NTRSDate not supplied

Sustainable Crop Cultivation in Space Analogs: A BRIDGES Methodology Perspective Through SpaCEA

Advanced Life Support↗

DOE OSTI2022

Plant synthetic biology innovations for biofuels and bioproducts

Plant-based biosynthesis of fuels, chemicals, and materials promotes environmental sustainability, which includes decreases in greenhouse gas emissions, water pollution, and loss of biodiversity. Advances in plant synthetic biology (synbio) should improve precision and efficacy of genetic engineering for sustainability. Applicable synbio innovations include genome editing, gene circuit design, synthetic promoter development, gene stacking technologies, and the design of environmental sensors. Moreover, recent advancements in developing spatially resolved and single-cell omics contribute to the discovery and characterization of cell-type-specific mechanisms and spatiotemporal gene regulations in distinct plant tissues for the expression of cell- and tissue-specific genes, resulting in improved bioproduction. In conclusion, this review highlights recent plant synbio progress and new single-cell molecular profiling towards sustainable biofuel and biomaterial production.

Yang, Yongil↗

NASA NTRS2023

National Campaign Development Test Executive Summary

NASA’s vision for Advanced Air Mobility (AAM) is to provide safe, sustainable, accessible, and affordable aviation for transformational local and intraregional missions and includes the transportation of passengers and cargo as well as aerial work missions, such as infrastructure inspection or search and rescue operations. NASA’s technical expertise, intergovernmental relationships, and high level of public trust will help this technology come to market concurrent with infrastructure readiness, public acceptance, and constructive regulation. By advising and integrating disparate AAM efforts across the country and working collaboratively with the FAA, the National Campaign (NC) objective is to motivate industry progress and support the development of policy, regulatory, and technical standards in a manner that best ensures public safety and benefit to the American people. NC began with the Dry Run and Developmental Test (NC-DT), which served as a pathfinder for collaboration and direct involvement with industry partners in integrated simulation exercises and flight tests. NC-DT culminated with an acoustics-gathering flight test in September 2021 with industry partner Joby’s prototype S4 2.0 air vehicle, which delivered the first foundational baseline of noise levels present in Electric Vertical Takeoff and Landing (eVTOL) vehicles. Through the DT phase, the NC team built and tested the airspace and range infrastructure while assessing the readiness level of industry partners leading up to future NC events. The purpose of this paper is to provide an overview of NC-DT.

National Campaign↗

DOE OSTI2023

Cost‐Responsive Optimization of Nickel Nanoparticle Synthesis

Abstract Early‐stage cost evaluation during catalyst development holds the potential to accelerate the commercialization and deployment of advanced catalytic materials for sustainable chemical processes. The modeling and assessment of manufacturing costs as early as the laboratory synthesis scale, for example, focusing on materials costs and synthesis performance metrics, can support the development of an experimental–economic feedback loop that enables rapid insight into cost drivers associated with catalyst synthesis and highlights areas that require focused research and development effort. Ultimately, this feedback loop supports the realization of an economic understanding of the overall synthetic process and highlights opportunities to reduce costs, serving as the foundation for the scale‐up of catalyst manufacturing. Herein, a case study is presented utilizing CatCost, a free and publicly available estimation tool for the evaluation of catalyst manufacturing costs, to perform a cost‐responsive optimization of the synthesis of nickel nanoparticles (Ni NPs). It is demonstrated that reagent substitutions with more cost‐effective analogs, coupled with stoichiometric optimization, afford a 58% reduction in raw materials cost without changing the product yield or properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

The Reductive Leaching of Chalcopyrite by Chromium(II) Chloride for the Rapid and Complete Extraction of Copper

A hydrometallurgical process is developed to lower the costs of copper production and thereby sustain the use of copper throughout the global transition to renewable energy technologies. The unique feature of the hydrometallurgical process is the reductive treatment of chalcopyrite, which is in contrast to the oxidative treatment more commonly pursued in the literature. Chalcopyrite reduction by chromium(II) ion is described for the first time and superior kinetics are shown. At high concentrate loadings of 39, 78, and 117 gL –1 , chalcopyrite reacted completely within minutes at room temperature and pressure. The XRD, SEM-EDS, and XPS measurements indicate that chalcopyrite reacts to form copper(I) chloride (CuCl). After the reductive treatment, the mineral products are leached by iron(III) sulfate to demonstrate the complete extraction of copper. The chromium(II) ion may be regenerated by an electrolysis unit inspired by an iron chromium flow battery in a practical industrial process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Harness the power of atomistic modeling and deep learning in biofuel separation

Biofuels offer a remarkable, sustainable energy source for a future of clean energy. The development of efficient biofuel separation plays a crucial role in achieving cost-effective utilization of biofuel. In this chapter, we provide an overview of the recent advancements in atomistic-level modeling and deep learning in the rational design of novel, efficient biofuel separation. The fundamental principles of quantum and statistical mechanics are covered in appropriate detail to highlight their underlying differences in theory. The methodologies of several molecular representations and deep learning algorithms applicable to biofuel separation are briefly demonstrated as well. The applications, successes, and risks of employing density functional theory, ab initio molecular dynamics, classical molecular dynamics, and deep learning are provided to showcase their recent accomplishments in biofuel separation as well as potential improvements in both methodology and application. Lastly, a vision for the future growth of these methods is illustrated.

deep learning, artificial intelligence, biofuels, ↗

DOE OSTI2022

Trait drift in microalgae and applications for strain improvement

Microalgae are increasingly used to generate a wide range of commercial products, and there is growing evidence that microalgae-based products can be produced sustainably. However, industrial production of microalgal biomass is not as developed as other biomanufacturing platform technologies. In addition, results of bench-scale research often fail to translate to large-scale or mass production systems. This disconnect may result from trait drift and evolution occurring, through time, in response to unique drivers in each environment, such as cultivation regimes, weather, and pests. Moreover, outdoor and indoor cultivation of microalgae has the potential to impose negative selection pressures, which makes the maintenance of desired traits a challenge. In this context, this review sheds the light on our current understanding of trait drift and evolution in microalgae. Here, we delineate the basics of phenotype plasticity and evolution, with a focus on how microalgae respond under various conditions. In addition, we review techniques that exploit phenotypic plasticity and evolution for strain improvement in view of industrial commercial applications, highlighting associated advantages and shortcomings. Finally, we suggest future research directions and recommendations to overcome unwanted trait drift and evolution in microalgae cultivation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Status and challenges for the application of platinum group metal-free catalysts in proton-exchange membrane fuel cells

Platinum group metal-free (PGM-free) electrocatalysts are an important class of materials for the sustainable energy economy and significant effort has been made towards developing PGM-free catalysts to replace their costly Pt counterparts in fuel cell electric vehicles. The progress made in activity over the last decade is reviewed, along with synthesis strategies for more controlled active site formation and performance gains achieved through electrode engineering. The increased focus on durability, the growing understanding of degradation mechanisms, and the need for standard performance and accelerated stress test protocols are discussed.

25 ENERGY STORAGE↗

DOE OSTI2025

Multiscale electro-chemo-mechanical model of high-capacity amorphous silicon anode material in sodium-ion batteries

The growing interest in sodium-ion batteries (SIBs) is fueled by their abundant resources and environmentally friendly nature, with amorphous silicon (a-Si) emerging as a promising anode material for enhancing capacity. However, the key challenge lies in sustaining reversible capacity during cycling. Here, in this work, we developed a multiscale electrochemical model incorporating an a-Si anode to elucidate the performance parameters of SIBs. Additionally, we integrated an electro-chemo-mechanical model at the particle level to capture stress generation, an essential factor in the degradation of high-capacity electrodes. Unlike existing models, our approach accounts for large-deformation chemo-mechanics at the particle scale and includes simulations under varying charge rates to explore multiscale behavior. The results reveal that coupled sodiation significantly prolongs complete cycling times and influences discharge dynamics, indicating that neglecting this coupling leads to an underestimation of actual capacity. Furthermore, we observed pronounced polarization effects at higher charge rates, resulting in heterogeneous stress distributions across the anode. With the identification of critical failure parameters for both active particles and binder materials, offering novel insights for mitigating degradation in high-capacity electrode systems.

Amorphous silicon anode↗

DOE OSTI2020

Distributed power generation via gasification of biomass and municipal solid waste: A review

The access to electricity has increased worldwide, growing from 60 million additional consumers per year in 2000-2012 to 100 million per year in 2012-2016. Despite this growth, approximately 675 million people will still lack access to electricity in 2030, indicating that electricity demand will continue to increase. Unfortunately, traditional large fossil power technologies based on coal, oil and natural gas lead to a major concern in tackling worldwide carbon dioxide emissions, and nuclear power remains unpopular due to public safety concerns. Distributed power generation utilizing CO 2 -neutral sources, such as gasification of biomass and municipal solid wastes (MSW), can play an important role in meeting the world energy demand in a sustainable way. Furthermore, this review focuses on the recent technology developments on seven power generation technologies (i.e. internal combustion engine, gas turbine, micro gas turbine, steam turbine, Stirling engine, organic rankine cycle generator, and fuel cell) suitable for distributed power applications with capability of independent operation using syngas derived from gasification of biomass and MSW. Technology selection guidelines is discussed based on criteria, including hardware modification required, size inflexibility, sensitivity to syngas contaminants, operational uncertainty, efficiency, lifetime, fast ramp up/down capability, controls and capital cost. Major challenges facing further development and commercialization of these power generation technologies are discussed.

09 BIOMASS FUELS↗

DOE OSTI2025

Building a Healthy Urban Design Index (HUDI): how to promote health and sustainability in European cities

As global urbanisation accelerates, alongside declining environmental quality and increasing climate challenges, it is increasingly vital for urban planners and policy makers to integrate health and wellbeing considerations into urban planning. This study introduces the Healthy Urban Design Index (HUDI), a high-resolution spatial index developed for European cities. HUDI combines policy-relevant indicators related to urban design, sustainable transportation, environmental quality, and greenspace accessibility—key factors influencing human health and well-being. Unlike existing indices, which often focus on few or large metropolitan cities and lack spatial granularity, HUDI offers high resolution and extends its scope to small-sized and medium-sized cities, home to over 50% of Europe's population.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

A unique Co@CoO catalyst for hydrogenolysis of biomass-derived 5-hydroxymethylfurfural to 2,5-dimethylfuran

The development of precious-metal-free catalysts to promote the sustainable production of fuels and chemicals from biomass remains an important and challenging target. Here, we report the efficient hydrogenolysis of biomass-derived 5-hydroxymethylfurfural to 2,5-dimethylfuran over a unique core-shell structured catalyst, Co@CoO that affords the highest productivity among all catalysts, including noble-metal-based catalysts, reported to date. Surprisingly, we find that the catalytically active sites reside on the shell of CoO with oxygen vacancies rather than the metallic Co. The combination of various spectroscopic experiments and computational modelling reveals that the CoO shell incorporating oxygen vacancies not only drives the heterolytic cleavage, but also the homolytic cleavage of H 2 to yield more active H δ- species, resulting in the exceptional catalytic activity. Co@CoO also exhibits excellent activity toward the direct hydrodeoxygenation of lignin model compounds. This study unlocks, for the first time, the potential of simple metal-oxide-based catalysts for the hydrodeoxygenation of renewable biomass to chemical feedstocks.

09 BIOMASS FUELS↗

DOE OSTI2026

A photochargeable semiconductor for highly efficient dehydrogenative coupling of amines

The development of materials with high photocatalytic efficiency is essential for sustainable chemical transformations. Here, in this work, we introduce photochargeable zinc indium sulfide nanocrystals with notable charge storage capacity, enabling highly efficient photocatalytic dehydrogenative coupling of amines. Combined with a nickel cocatalyst, the nanocrystals deliver diamines and hydrogen at rates exceeding 120 mmol per gram of photocatalyst per hour, with > 95% selectivity and an apparent quantum efficiency of up to 39.4% under ambient conditions. The system exhibits excellent scalability, demonstrated by a reaction on a 20-g scale, and broad versatility in promoting amino acid ester coupling and polymerization reactions with concurrent hydrogen evolution. Mechanistic studies attribute the photocharging capability of zinc indium sulfide nanocrystals to in situ-generated trap states such as sulfur vacancies, which extend hydrogen production into the dark catalytic cycle and enhance the overall charge utilization efficiency. These findings position photochargeable semiconductors as promising platforms for a wide range of photocatalytic applications.

nanoscale devices↗