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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Revisiting Theoretical Tools and Approaches for the Valorization of Recalcitrant Lignocellulosic Biomass to Value-Added Chemicals

Biorefinery processes for converting lignocellulosic biomass to fuels and chemicals proceed via an integrated series of steps. Biomass is first pretreated and deconstructed using chemical catalysts and/or enzymes to liberate sugar monomers and lignin fragments. Deconstruction is followed by a conversion step in which engineered host organisms assimilate the released sugar monomers and lignin fragments, and produce value-added fuels and chemicals. Over the past couple of decades, a significant amount of work has been done to develop innovative biomass deconstruction and conversion processes that efficiently solubilize biomass, separate lignin from the biomass, maximize yields of bioavailable sugars and lignin fragments and convert the majority of these carbon sources into fuels, commodity chemicals, and materials. Herein, we advocate that advanced in silico approaches provide a theoretical framework for developing efficient processes for lignocellulosic biomass valorization and maximizing yields of sugars and lignin fragments during deconstruction and fuel and chemical titers during conversion. This manuscript surveys the latest developments in lignocellulosic biomass valorization with special attention given to highlighting computational approaches used in process optimization for lignocellulose pretreatment; enzyme engineering for enhanced saccharification and delignification; and prediction of the genome modification necessary for desired pathway fine-tuning to upgrade products from biomass deconstruction into value-added products. Physics-based modeling approaches such as density functional theory calculations and molecular dynamics simulations have been most impactful in studies aimed at exploring the molecular level details of solvent-biomass interactions, reaction mechanisms occurring in biomass-solvent systems, and the catalytic mechanisms and engineering of enzymes involved in biomass degradation. More recently, with ever increasing amounts of data from, for example, advanced mutli-omics experiments, machine learning approaches have begun to make important contributions in synthetic biology and optimization of metabolic pathways for production of biofuels and chemicals.

09 BIOMASS FUELS↗
DOE OSTI2025

Direct Air Capture Using Aqueous Amino Acid Solvents in a Crossflow Absorber

Carbon dioxide (CO 2 ) is the most abundant of all greenhouse gases (GHGs). CO 2 levels in the atmosphere are 50% higher than in the preindustrial era, trapping heat. CO 2 removal from the atmosphere by direct air capture (DAC) is needed to achieve the internationally agreed global temperature goals. The most common CO 2 capture technology is absorption by aminebased solvents in packed columns. Amino acid solutions have recently gained attention due to their advantages over traditional amine solvents. To be implemented effectively, DAC industrial processes need to handle large airflow rates in separation absorbers. The large air and solvent flow rates preclude the use of countercurrent columns due to high-pressure drops and the occurrence of flooding. Crossflow air−liquid absorbers are used to handle large air and liquid volumes due to their lower-pressure drop. The objective of this work is to study the influence of crossflow absorber geometric parameters and operating conditions on product formation and process efficiency. An already derived theoretical model for countercurrent absorbers has been modified to simulate the operation of a crossflow DAC absorber. The predictive model was implemented into a computer code that was used to study the efficiency of the processes as geometric equipment dimensions and operating parameters vary. Practical suggestions are made to design more efficient DAC processes.

Absorption↗
DOE OSTI2023

Toward High Efficiency Water Processed Organic Photovoltaics: Controlling the Nanoparticle Morphology with Surface Energies

Here efficient organic photovoltaic devices fabricated from water-based colloidal dispersions with donor:acceptor composite nanoparticles achieving up to 9.98% power conversion efficiency (PCE) are reported. This high efficiency for water processed organic solar cells is attributed to morphology control by surface energy matching between the donor and the acceptor materials. Indeed, due to a low interfacial energy between donor and the acceptor, no large phase separation occurs during the nanoparticle formation process as well as upon thermal annealing. Indeed, synchrotron-based scanning transmission X-ray microscopy reveals that the internal morphology of composite nanoparticles is intermixed as well as the active layer morphology after thermal treatment. The PCE of this system reaches 85% that of devices prepared from chlorinated solvent. The gap between water-based inks and organic solvent-based inks gets narrower, which is promising for the development of eco-friendly processing and fabrication of organic photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2024

Paths Forward: Approaches to Achieve Plug and Process Load Efficiency and Control in Commercial Buildings: Preprint

To accomplish net-zero carbon in the built environment by 2050, we must equitably decarbonize commercial buildings, which includes reducing plug and process loads (PPLs). PPLs are plug-in or hardwired electric and gas loads that are not directly associated with major building end uses like lighting and heating, ventilating, and air conditioning. PPLs account for a growing portion of U.S. commercial building energy consumption. Although commercial building PPL strategies and technologies are available today, they have not been adopted at a level sufficient to achieve significant savings and load flexibility across the building stock. In our "Pathways to Plug and Process Load Efficiency and Control" study, we investigated why these technologies and strategies have not seen widespread adoption and identified five behavior and technology pathways to increase PPL reduction in commercial buildings. In this paper, we expand beyond identifying the pathways and discuss approaches for achieving them. We discuss the importance of collecting and sharing data and case studies on PPL energy consumption and savings from control technology implementation, including code-required measures, for increasing adoption. Centralizing case studies and data, engaging industry organizations, and promoting awareness of PPL efficiency benefits to relevant groups are also key approaches. Additionally, funding, incentives, and rebate programs play important roles in driving PPL efficiency and control adoption. Finally, we discuss integrating PPL efficiency into broader company goals, such as environmental, social and governance (ESG) strategies and green building certifications, to further drive adoption.

adoption pathways↗
DOE OSTI2018

Dynamic Process Intensification of Binary Distillation via Periodic Operation

This paper applies the concept of dynamic intensification (defined as changes to the dynamics, operation strategy, and/or control of a process that lead to a substantially more efficient processing path) to binary distillation columns. The resulting strategy consists of manufacturing a target product as a blend of two auxiliary products, both having lower energy demands than a reference value, which corresponds to producing the target product(s) in a column operating at steady state. Here, a discussion of the appropriate control structures and switching strategies between the two auxiliary products is provided. An extensive case study concerning the separation of a methanol–1-propanol mixture was carried out, demonstrating that energy savings in the order of 1.4% are possible with no disruption in product quality or production rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A novel defoamer for processing nuclear waste: Testing and performance

Abstract Legacy radioactive waste from nuclear weapons material processing is the biggest environmental challenge in the state of South Carolina, and one of the biggest in the United States. Although substantial progress has been made in processing and vitrifying high‐level radioactive waste at the Savannah River site, approximately 35 million gallons remains to be treated and dispositioned. In this article, we show the development of a new defoamer for use in the processing of high‐level radioactive waste. The application of the new defoamer is not only more effective at controlling foam but will shorten the batch processing time leading to safer and more efficient processing. This has the potential to help shorten the overall site mission lifetime, saving the federal government hundreds of millions of dollars. The novel aspect of the new defoamer is its effectiveness and stability in the harsh conditions needed for processing high‐level radioactive waste: high temperatures, pH 4–13, strong oxidizing and reducing agents, and numerous metal catalysts. The defoamer will replace an existing antifoam agent that decomposes to form multiple flammable gases. Because the existing antifoam agent decomposes quickly, processing changes increased processing time. Statement of novelty We demonstrate that a new defoamer has been developed for use in processing high‐level radioactive waste. This novel defoamer is effective and stable in the harsh processing conditions with no detectable flammable by‐products. Because the existing antifoam agent decomposes quickly, processing changes, including lowering acid addition rates and evaporation rates, increased processing time. The new defoamer is not only more effective at controlling foam but will shorten the batch processing time and lead to safer and more efficient processing by eliminating the production of flammable gases. Statement of industrial relevance Foaming is of great concern in many industrial processes involving three‐phase gas/liquid/fine‐solids systems, like in water evaporation, mineral floatation, air sparging in situ remediation techniques, and in those found in the paper industry.

Lambert, Dan P.↗
DOE OSTI2023

SPERLU Selective Process for Efficient Removal of Lignin and Upgrading (Final Technical Report)

To meet the growing demand for bio-based chemicals and improve the profitability and efficiency of the emerging biorefinery industry, lignin is an abundant and attractive feedstock. Spero Renewables has developed a proprietary and patent-pending technology, the Selective Process for Efficient Removal of Lignin and Upgrading (SPERLU). The technology is a catalytic deconstruction and upgrading of lignin in lignocellulosic biomass or commercially available technical lignin to produce multi-functional phenol (MFP) products. The SPERLU process has been demonstrated and vetted on a lab scale to convert commercially available technical lignin to MFPs in yields of 60-90% (based on lignin). The MFP products can be separated and further upgraded through catalytic or biological means. Spero performed a detailed kinetic study of the SPERLU process and used the resulting kinetic data to design and construct a mini-pilot-scale reactor for routine production of hundreds of grams of MFP products. Spero’s lignin-based MFPs have been demonstrated for use as a drop-in replacement for bisphenol A (BPA) in the synthesis of thermoset polymers. Spero’s lignin-based thermoset polymers exhibit excellent mechanical properties and can be used in many applications. Additionally, a collaboration with the National Renewable Energy Lab (NREL) was used to evaluate the feasibility of upgrading SPERLU products through biological means into valuable chemicals. A comprehensive technoeconomic analysis (TEA) and Life-cycle analysis (LCA) have been completed and support the case for commercialization of the SPERLU technology. Through this project Spero has significantly de-risked the SPERLU technology and is actively planning larger scale pilot projects.

09 BIOMASS FUELS↗
DOE OSTI2023

A Versatile Fiber Coating Process for Efficient Fabrication of Multifunctional Composites

The objective of this research is to demonstrate the versatility of a dip coating process for the efficient integration of piezoelectric barium titanate (BaTiO3) microparticles on a wide variety of fibers to design passive self-sensing composites. The microparticles were deposited on glass, aramid, and basalt fiber weaves through the proposed dip coating technique. A computational framework is established to predict the deposition thickness on the fiber surfaces from the given microparticle concentration, size, coating velocity, and coating fluid viscosity. The deposition quality assessment was performed through scanning electron microscope imaging and subsequent image analysis. BaTiO3-coated fibers were directly used in composite preparation. After fabrication, the BaTiO3-enhanced composites were subjected to high-voltage poling. Finally, their passive self-sensing properties were characterized through experimental studies. The results show the adaptability of the proposed coating process to integrate BaTiO3 microparticles within different types of fiber-reinforced composites enabling passive self-sensing to attain subsurface damage characterization.

Gupta, Sumit↗
DOE OSTI2012

Recovering Americium and Curium from Mark-42 Target Materials- New Processing Approaches to Enhance Separations and Integrate Waste Stream Disposition - 12228

Oak Ridge National Laboratory (ORNL) is investigating flowsheets to enhance processing efficiencies and to address waste streams associated with recovery of americium (Am) and curium (Cm) from Mark-42 (Mk-42) target materials stored at ORNL. The objective of this work was to identify the most effective flowsheet with which to process the 104 Mk-42 oxide capsules holding a total of 80 g of plutonium (Pu), 190 g of Cm, 480 g of Am, and 5 kg of lanthanide (Ln) oxides for the recovery and purification of the Am/Cm for future use as feedstock for heavy actinide production. Studies were also conducted to solidify the process flowsheet waste streams for disposal. ORNL is investigating flowsheets to enhance processing efficiencies and address waste streams associated with recovery of Am and Cm from Mk-42 target materials stored at ORNL. A series of small-scale runs are being performed to demonstrate an improved process to recover Am/Cm and to optimize the separations of Ln fission products from the Am/Cm constituents. The first of these runs has been completed using one of the Am/Cm/Ln oxide capsules stored at ORNL. The demonstration run showed promising results with a Ln DF of 40 for the Am/Cm product and an Am/Cm DF of 75 for the Ln product. In addition, the total losses of Am, Cm, and Ln to the waste solvents and raffinates were very low at <0.2%, 0.02%, and 0.04%, respectively. However, the Ln-actinide separation was less than desired. For future Reverse TALSPEAK demonstration runs, several parameters will be adjusted (flow rates, the ratio of scrub to strip stages, etc.) to improve the removal of Ln from the actinides. The next step will also include scale-up of the processing flowsheet to use more concentrated solutions (15 g/L Ln versus 5 g/L) and larger volumes and to recycle the HDEHP solvent. This should improve the overall processing efficiency and further reduce losses to waste streams. Studies have been performed with simulated wastes to develop solidification processes for disposal of the secondary waste streams generated by this flowsheet. Formulations were successfully developed for all the waste simulants. Additional tests with actual waste will be the next step in this effort. Future plans are to process all of the remaining 103 capsules in storage at ORNL. A nine-capsule test is now under way to provide additional information to scale-up the process to a target 20-capsule batch size for future processing runs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

System and process for efficient separation of biocrudes and water in a hydrothermal liquefaction system

A system and process are described for clean separation of biocrudes and water by-products from hydrothermal liquefaction (HTL) product mixtures of organic and biomass-containing feedstocks at elevated temperatures and pressures. Inorganic compound solids are removed prior to separation of biocrude and water by-product fractions to minimize formation of emulsions that impede separation. Separation may be performed at higher temperatures that reduce heat loss and need to cool product mixtures to ambient. The present invention thus achieves separation efficiencies not achieved in conventional HTL processing.

09 BIOMASS FUELS↗
DOE OSTI2025

Integrated Radio Frequency and Ultrasonics with Conventional Processes for Efficient Water Removal in Pulp and Paper and Other Biomaterial Applications

Conventional drying processes used in the pulp and paper industry primarily involve lengthy, surface based, multi-cylinder conductive and convective drying with low thermal efficiencies and often use some fossil-based energy. Integration of cross cutting, electrically-powered, volumetric drying process intensification technologies based on Radio Frequency (RF) and acoustics (Ultrasonics) (US) will directly impart energy into the biomaterials resulting in improved energy efficiency and throughput. Integration of RFUS-based drying technology is expected to enable U.S. manufacturing industry to reduce capital and operating costs, energy consumption, and carbon emissions while increasing energy efficiency and throughput, improving product quality and sustainability, and helping preserve U.S. manufacturing jobs. The hybrid drying approach incorporates directed radio frequency (RF) and ultrasonic (US) energy with conventional conduction, diffusion and convective heat and mass transfer overcoming the limitations of the conventional drying processes and that meets/exceeds the minimum goals. We have shown the effective removal of free and bound water in the biomaterials by leveraging the synergies of RF and US technologies integrated with conventional manufacturing processes.

42 ENGINEERING↗
DOE OSTI2012

Friction Stir Processing for Efficient Manufacturing

Friction at contacting surfaces in relative motion is a major source of parasitic energy loss in machine systems and manufacturing processes. Consequently, friction reduction usually translates to efficiency gain and reduction in energy consumption. Furthermore, friction at surfaces eventually leads to wear and failure of the components thereby compromising reliability and durability. In order to reduce friction and wear in tribological components, material surfaces are often hardened by a variety of methods, including conventional heat treatment, laser surface hardening, and thin-film coatings. While these surface treatments are effective when used in conjunction with lubrication to prevent failure, they are all energy intensive and could potentially add significant cost. A new concept for surface hardening of metallic materials and components is Friction Stir Processing (FSP). Compared to the current surface hardening technologies, FSP is more energy efficient has no emission or waste by products and may result in better tribological performance. FSP involves plunging a rotating tool to a predetermined depth (case layer thickness) and translating the FSP tool along the area to be processed. This action of the tool produces heating and severe plastic deformation of the processed area. For steel the temperature is high enough to cause phase transformation, ultimately forming hard martensitic phase. Indeed, FSP has been used for surface modification of several metals and alloys so as to homogenize the microstructure and refine the grain size, both of which led to improved fatigue and corrosion resistance. Based on the effect of FSP on near-surface layer material, it was expected to have beneficial effects on friction and wear performance of metallic materials. However, little or no knowledge existed on the impact of FSP concerning friction and wear performance the subject of the this project and final report. Specifically for steel, which is the most dominant tribological material, FSP can replace the current conventional surface hardening techniques used for friction and wear performance. Friction Stir Link Inc. (FSL) is teamed with Argonne National Laboratory (ANL) to develop and optimize FSP for friction and wear performance enhancement. The ultimate goal is to offer FSP and an effective alternative to some of the current energy intensive and high-cost surface hardening processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Optimizing Process Conditions during Catalytic Fast Pyrolysis of Pine with Pt/TiO 2 —Improving the Viability of a Multiple-Fixed-Bed Configuration

Catalytic fast pyrolysis (CFP) has been identified as a promising pathway for the production of renewable fuels and co-products. However, continued technology development is needed to increase process efficiency and reduce process costs. This report builds upon previous research in which a bifunctional metal–acid Pt/TiO 2 catalyst was utilized in a fixed-bed reactor operated with co-fed H 2 to improve product yield and reduce coke generation compared to conventional CFP methods. Here, we report further process optimization, in which we achieved similar CFP oil carbon efficiency (>35%) and CFP oil oxygen content (<20 wt %) to our previous report while reducing catalyst and equipment costs by increasing time-on-stream between regenerations by 40–95% and decreasing required regeneration time by more than a factor of 2. These process improvements were achieved by conducting parameter sweeps to determine optimum conditions for CFP and regeneration with key variables including pyrolysis temperature, catalytic upgrading temperature, hydrogen partial pressure, and regeneration oxygen concentration. Coupled with comprehensive oil analyses, these data provide foundational insight into the deoxygenation and coking chemistries for CFP under realistic process conditions while also advancing the technology through applied engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Nonlinear Dynamic Model-Based Multiobjective Sensor Network Design Algorithm for a Plant with an Estimator-Based Control System

Here, a novel sensor network design (SND) algorithm is developed for maximizing process efficiency while minimizing sensor network cost for a nonlinear dynamic process with an estimator-based control system. The multiobjective optimization problem is solved following a lexicographic approach where the process efficiency is maximized first followed by minimization of the sensor network cost. The partial net present value, which combines the capital cost due to the sensor network and the operating cost due to deviation from the optimal efficiency, is proposed as an alternative objective. The unscented Kalman filter is considered as the nonlinear estimator. The large-scale combinatorial optimization problem is solved using a genetic algorithm. The developed SND algorithm is applied to an acid gas removal (AGR) unit as part of an integrated gasification combined cycle (IGCC) power plant with CO 2 capture. Due to the computational expense, a reduced order nonlinear model of the AGR process is identified and parallel computation is performed during implementation.

Lexicographic optimization↗
DOE OSTI2024

Antisolvent‐Mediated Air Quench for High‐Efficiency Air‐Processed Carbon‐Based Planar Perovskite Solar Cells

Perovskite solar cells (PSCs) have becoma a leading low‐cost photovoltaic technology, achieving power conversion efficiencies (PCEs) of up to 26.1%. However, their commercialization is hindered by stability issues and the need for controlled processing environments. Carbon‐electrode‐based PSCs (C‐PSCs) offer enhanced stability and cost‐effectiveness compared to traditional metal‐electrode PSCs, i.e., Au and Ag. However, processing challenges persist, particularly in air conditions where moisture sensitivity poses a significant hurdle. Herein, a novel air processing technique is presented for planar C‐PSCs that incorporates antisolvent vapors, such as chlorobenzene, into a controlled air‐quenching process. This method effectively mitigates moisture‐induced instability, resulting in champion PCEs exceeding 20% and robust stability under ambient conditions. The approach retains 80% of initial efficiency after 30 h of operation at maximum power point without encapsulation. This antisolvent‐mediated air‐quenching technique represents a significant advancement in the scalable production of C‐PSCs, paving the way for future large‐scale deployment.

14 SOLAR ENERGY↗
DOE OSTI2021

High-temperature corrosion of a nickel-based alloy in a molten chloride environment – The effect of thermal and chemical purifications

There is currently an ever-increasing demand for higher process efficiencies in next generation (Gen3) concentrating solar power (CSP). Higher process efficiencies may be procured by increasing the operating temperature, and simultaneously, minimizing the degradation of materials used for construction of CSP plants (e.g., piping, thermal storage tanks, solar receivers and heat exchangers). Thus, understanding materials corrosion in the presence of molten salt mixtures used as thermal energy storage media and heat transfer fluids is indispensable for CSP development. The present paper provides insights into the effects of salt purification on the corrosion of a nickel-based alloy (Haynes 230) isothermally exposed to a stagnant chloride-based salt mixture at 800 °C. The MgCl 2 -based salt mixture was thermally dehydrated and chemically treated with (0.1 and 0.5 wt %) elemental magnesium. Results reveal the electrochemical nature of the corrosion process, and the formation of corrosion products such as oxides (MgO, MgCr 2 O 4 , and MgAl 2 O 4 ) and nitrides (CrN) on the alloy surface and in sub-surface regions. Magnesium additions enhanced the ability to resist corrosion by reducing the concentration of impurities (H 2 O, MgOH + , OH - species) and polarizing the alloy surface. The formation of nitrides in all cases studied indicates the impact of using nitrogen as a protective gas in the system. Results also reveal that a single step treatment of the salt using metallic Mg could be considered as a measure to control the salt's impurity level, e.g., if required for system control.

14 SOLAR ENERGY↗
DOE OSTI2012

JOWOG 22/2 - Actinide Chemical Technology (July 9-13, 2012)

The Plutonium Science and Manufacturing Directorate provides world-class, safe, secure, and reliable special nuclear material research, process development, technology demonstration, and manufacturing capabilities that support the nation's defense, energy, and environmental needs. We safely and efficiently process plutonium, uranium, and other actinide materials to meet national program requirements, while expanding the scientific and engineering basis of nuclear weapons-based manufacturing, and while producing the next generation of nuclear engineers and scientists. Actinide Process Chemistry (NCO-2) safely and efficiently processes plutonium and other actinide compounds to meet the nation's nuclear defense program needs. All of our processing activities are done in a world class and highly regulated nuclear facility. NCO-2's plutonium processing activities consist of direct oxide reduction, metal chlorination, americium extraction, and electrorefining. In addition, NCO-2 uses hydrochloric and nitric acid dissolutions for both plutonium processing and reduction of hazardous components in the waste streams. Finally, NCO-2 is a key team member in the processing of plutonium oxide from disassembled pits and the subsequent stabilization of plutonium oxide for safe and stable long-term storage.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Seawater alkalization via an energy-efficient electrochemical process for CO 2 capture

Electrochemical pH-swing strategies offer a promising avenue for cost-effective and energy-efficient carbon dioxide (CO 2 ) capture, surpassing the traditional thermally activated processes and humidity-sensitive techniques. The concept of elevating seawater’s alkalinity for scalable CO 2 capture without introducing additional chemical as reactant is particularly intriguing due to its minimal environmental impact. However, current commercial plants like chlor-alkali process or water electrolysis demand high thermodynamic voltages of 2.2 V and 1.23 V, respectively, for the production of sodium hydroxide (NaOH) from seawater. These high voltages are attributed to the asymmetric electrochemical reactions, where two completely different reactions take place at the anode and cathode. Here, we developed a symmetric electrochemical system for seawater alkalization based on a highly reversible and identical reaction taking place at the anode and cathode. We utilize hydrogen evolution reaction at the cathode, where the generated hydrogen is looped to the anode for hydrogen oxidation reaction. Theoretical calculations indicate an impressively low energy requirement ranging from 0.07 to 0.53 kWh/kg NaOH for established pH differences of 1.7 to 13.4. Experimentally, we achieved the alkalization with an energy consumption of 0.63 kWh/kg NaOH, which is only 38% of the theoretical energy requirements of the chlor-alkali process (1.64 kWh/kg NaOH). Further tests demonstrated the system’s potential of enduring high current densities (~20 mA/cm 2 ) and operating stability over an extended period (>110 h), showing its potential for future applications. Notably, the CO 2 adsorption tests performed with alkalized seawater exhibited remarkably improved CO 2 capture dictated by the production of hydroxide compared to the pristine seawater.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗