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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

A Sequential Shifting Algorithm for Variable Rotor Speed Control

A proof of concept of a continuously variable rotor speed control methodology for rotorcraft is described. Variable rotor speed is desirable for several reasons including improved maneuverability, agility, and noise reduction. However, it has been difficult to implement because turboshaft engines are designed to operate within a narrow speed band, and a reliable drive train that can provide continuous power over a wide speed range does not exist. The new methodology proposed here is a sequential shifting control for twin-engine rotorcraft that coordinates the disengagement and engagement of the two turboshaft engines in such a way that the rotor speed may vary over a wide range, but the engines remain within their prescribed speed bands and provide continuous torque to the rotor; two multi-speed gearboxes facilitate the wide rotor speed variation. The shifting process begins when one engine slows down and disengages from the transmission by way of a standard freewheeling clutch mechanism; the other engine continues to apply torque to the rotor. Once one engine disengages, its gear shifts, the multi-speed gearbox output shaft speed resynchronizes and it re-engages. This process is then repeated with the other engine. By tailoring the sequential shifting, the rotor may perform large, rapid speed changes smoothly, as demonstrated in several examples. The emphasis of this effort is on the coordination and control aspects for proof of concept. The engines, rotor, and transmission are all simplified linear models, integrated to capture the basic dynamics of the problem.

Litt, Jonathan S.↗
DOE OSTI2024

Defining Golden Batches in Biomanufacturing Processes From Internal Metabolic Activity to Detect Process Changes That May Affect Product Quality

ABSTRACT Cellular metabolism plays a role in the observed variability of a drug substance's Critical Quality Attributes (CQAs) made by biomanufacturing processes. Therefore, here we describe a new approach for monitoring biomanufacturing processes that measures a set of metabolic reaction rates (named Critical Metabolic Parameters (CMP) in addition to the macroscopic process conditions currently being used as Critical Process Parameters (CPP) for biomanufacturing. Constraint‐based systems biology models like Flux Balance Analysis (FBA) are used to estimate metabolic reaction rates, and metabolic rates are used as inputs for multivariate Batch Evolution Models (BEM). Metabolic activity was reproducible among batches and could be monitored to detect a deliberately induced macroscopic process shift (i.e., temperature change). The CMP approach has the potential to enable “golden batches” in biomanufacturing processes to be defined from the internal metabolic activity and to aid in detecting process changes that may impact the quality of the product. Overall, the data suggested that monitoring of metabolic activity has promise for biomanufacturing process control.

Biotechnology & Applied Microbiology↗
NASA NTRS2018

Hybridized Agile Software Development of Flight Control Team Tools for International Space Station's Payload Operations Integration Center

Ground systems operations at the National Aeronautics and Space Administration's (NASA) Payload Operations and Integration Function (POIF) is increasing, via the High Operations Tempo (HOT) initiative, its ability to support more science activities with a fourth crew member on the International Space Station (ISS). The Flight Control Team's need to support this increased crew presence mandated the need for a series of software tools to better handle the increasing pace of payload science operations. The overall need was clear from the outset, but the full scope and user experience for each tool, were not as well understood, so establishing a fixed set of initial requirements was not feasible. An Agile Software Development (ASD) paradigm takes advantage of uncertainty, and plans for it, so it was deemed the most appropriate approach to create room for exploring novel concepts, and to mount a rapid and flexible response to inevitiably changing requirements. It facilitated the need for unprecedented collaboration between the Product Team (i.e. users from the Flight Control Team) and the Development Team (i.e. POIC systems engineers, developers, testers). This is a process shift in the development, test, and release of software from one that is prescriptive to one that is adaptive, which is necessary for these tools to have longevity. The application of ASD to the product development lifecycle permitted the timely incorporation of customer feedback, and, allowed for continuous quality improvements. This resulted in a suite of tools that are efficient, user-friendly, and enable POIF ground systems to support the increasing pace of payload science operations. ASD is not as much a set of prescriptive processes as it is a shift in mindset; one that moves from planning against change, to planning for change, thereby iteratively growing software towards user-defined value.

Albers, Cerese M.↗
NASA NTRS2003

On the Confidence Limit of Hilbert Spectrum

Confidence limit is a routine requirement for Fourier spectral analysis. But this confidence limit is established based on ergodic theory: For stationary process, temporal average equals the ensemble average. Therefore, one can divide the data into n-sections and treat each section as independent realization. Most natural processes in general, and climate data in particular, are not stationary; therefore, there is a need for the Hilbert Spectral analysis for such processes. Here ergodic theory is no longer applicable. We propose to use various adjustable parameters in the shifting processes of the Empirical Mode Decomposition (EMD) method to obtain an ensemble of Intrinsic Mode Function 0 sets. Based on such an ensemble, we introduce a statistical measure in. a form of confidence limits for the Intrinsic Mode Functions, and consequently, the Hilbert spectra. The criterion of selecting the various adjustable parameters is based on the orthogonality test of the resulting M F sets. Length-of-day data from 1962 to 2001 will be used to illustrate this new approach. Its implication in climate data analysis will also be discussed.

Huang, Norden↗
DOE OSTI2015

Shape-Shifting Plastic

A new plastic developed by ORNL and Washington State University transforms from its original shape through a series of temporary shapes and returns to its initial form. The shape-shifting process is controlled through changes in temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Pathways to Carbon Liberation: A Systems Approach to Understanding Carbon Transformations and Losses from Thawing Permafrost

Our objective in this project was to discover how microbial communities mediate the fate of carbon in thawing permafrost under climate change. We proposed a systems approach integrating (a) molecular microbial and viral ecology, (b) molecular organic chemistry and stable and radiocarbon isotopes, and (c) state-of-the-art modeling, along a chronosequence of permafrost thaw in subarctic Sweden. The fate of carbon (C) in thawing permafrost is an outstanding challenge of modern biogeochemistry and climate change. Permafrost C pools are large (~1700 PgC), and C dynamics of thawing permafrost complex: old C decomposes as it is liberated from thawing permafrost as CO 2 or CH 4 , with a significant fraction cycling through lake sediments, even as new C accumulates due to thaw-initiated ecological succession. Our work is allowing better prediction of the net effect of these processes. Microbes mediate C dynamics in thawing permafrost, but a mechanistic understanding of how to scale microbial population dynamics, genomic potential, and expression to ecosystem-scale processes has been missing. A key question was: What is the interplay of microbial communities and organic matter chemical structure in the decomposition/preservation of organic C across a thaw gradient? And intriguingly, what (if any) is the role of phage (viruses that infect prokaryotic cells) in mediating these processes? Viruses appear to play a large role in driving oceanic function, but these phenomena are virtually unstudied in terrestrial systems. This endeavor linking microbial and viral dynamics, organic geochemistry and trace gas production will improve models of C cycling in permafrost systems, and clarify the fate of C under future climates. Technical Approach – We conducted a study at Stordalen Mire, Sweden, along a permafrost thaw chronosequence encompassing permafrost palsas and their initial collapse stage, thawing bog sites (dominated by Sphagnum moss), fully-thawed and inundated fen sites (dominated by Eriophorum spp or Carex spp.), and lakes. Our project used cutting edge technologies in both biogeochemistry and molecular microbial ecology to advance systems biology research on microbial carbon cycling through: (a) systems-level mapping of chemical states and ages of organic matter (via FT-ICR-MS and 14 C analysis) along thaw gradients to associated microbial communities, biochemical potentials, and activities (via meta-genomics, -transcriptomics, –proteomics, and viral genomics), and to CO 2 and CH 4 fluxes; (b) experimental incubations using Quantum Dot Probing, to test key hypotheses, arising from (a), about particular microbially-driven biochemical degradation pathways; (c) bioinformatics designed to simultaneously enhance the DOE Knowledgebase, and (d) integrated ecosystem C-cycle modeling testable by soil organic chemical and microbial data. Results from this project spanned 4 categories: (i) integrative across disciplines, and disciplinarily-focused in (ii) microbiology, (iii) biogeochemistry, and (iv) modeling. In integrated understanding of the system, we answered the questions posed above, mapping resident microbes to carbon transformations to reveal a carbon-processing shift with permafrost thaw, and discovering abundant, diverse and habitat-specific viruses that appear to be impacting carbon cycling, while also relating microbial communities to modeled processes. In microbiology-specific papers, we dug into viromes, microbial community networks, and informatic methods, while also introducing a new permafrost-associated phylum and its ecogenomic context. Relevance to DOE FOA - With a focus on discovering how microbial communities mediate the fate of old and new carbon in permafrost systems with climate change, our work directly responds to the call for “–omics driven basic research on the contribution of... microbial communities to C cycling processes in terrestrial ecosystems.” We bridge all three of the focal areas of the call, including (i) “Systems biology studies”, and development of –omics approaches (ii) “to investigate microbial community functional processes”, and (iii) “for imaging and analysis of microbially-mediated carbon cycling.”

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

SLS Navigation Model-Based Design Approach

The SLS Program chose to implement a Model-based Design and Model-based Requirements approach for managing component design information and system requirements. This approach differs from previous large-scale design efforts at Marshall Space Flight Center where design documentation alone conveyed information required for vehicle design and analysis and where extensive requirements sets were used to scope and constrain the design. The SLS Navigation Team has been responsible for the Program-controlled Design Math Models (DMMs) which describe and represent the performance of the Inertial Navigation System (INS) and the Rate Gyro Assemblies (RGAs) used by Guidance, Navigation, and Controls (GN&C). The SLS Navigation Team is also responsible for the navigation algorithms. The navigation algorithms are delivered for implementation on the flight hardware as a DMM. For the SLS Block 1-B design, the additional GPS Receiver hardware is managed as a DMM at the vehicle design level. This paper provides a discussion of the processes and methods used to engineer, design, and coordinate engineering trades and performance assessments using SLS practices as applied to the GN&C system, with a particular focus on the Navigation components. These include composing system requirements, requirements verification, model development, model verification and validation, and modeling and analysis approaches. The Model-based Design and Requirements approach does not reduce the effort associated with the design process versus previous processes used at Marshall Space Flight Center. Instead, the approach takes advantage of overlap between the requirements development and management process, and the design and analysis process by efficiently combining the control (i.e. the requirement) and the design mechanisms. The design mechanism is the representation of the component behavior and performance in design and analysis tools. The focus in the early design process shifts from the development and management of design requirements to the development of usable models, model requirements, and model verification and validation efforts. The models themselves are represented in C/C++ code and accompanying data files. Under the idealized process, potential ambiguity in specification is reduced because the model must be implementable versus a requirement which is not necessarily subject to this constraint. Further, the models are shown to emulate the hardware during validation. For models developed by the Navigation Team, a common interface/standalone environment was developed. The common environment allows for easy implementation in design and analysis tools. Mechanisms such as unit test cases ensure implementation as the developer intended. The model verification and validation process provides a very high level of component design insight. The origin and implementation of the SLS variant of Model-based Design is described from the perspective of the SLS Navigation Team. The format of the models and the requirements are described. The Model-based Design approach has many benefits but is not without potential complications. Key lessons learned associated with the implementation of the Model Based Design approach and process from infancy to verification and certification are discussed

Oliver, T. Emerson↗
DOE OSTI2023

Grid-Integrated Production of Fischer-Tropsch Synfuels from Nuclear Power

Idaho National Laboratory (INL) investigates the relative economic profitability of an integrated energy system (IES) coupling an NPP with a synfuel production process at selected case study locations across the United States. In the synfuel IES, a high-temperature steam electrolysis (HTSE) plant is thermally and electrically coupled with an NPP to produce zero-carbon hydrogen. The synthetic fuel is produced from this H 2 combined with a CO 2 supply using the reverse water gas shift process followed by the Fischer-Tropsch (FT) reaction. This analysis considers a system in which the CO 2 is sourced from regional CO 2 emitters via the construction and operation of pipeline-based CO 2 supply networks. Locating the FT plant at the same site as the NPP and HTSE plants enables the NPP to provide zero-carbon heat and power to the HTSE plant and zero-carbon power to the FT plant as well as avoid the requirement for long-distance H 2 product transport from the HTSE plant to the FT plant. Hydrogen storage is used to enable the NPP to dispatch power to the electrical grid (instead of the HTSE plant) when grid demand increases, thus enabling the FT plant to continue to operate in a steady-state production mode. The ability to cease hydrogen production for several hours within each day enables the NPP to provide power to the grid to balance the electricity market during peak periods and maximize revenues for the nuclear synfuel IES. The FT process design considered has a 99% carbon conversion efficiency. The use of nuclear energy and nuclear energy-derived hydrogen enables synfuel production to achieve this high level of carbon utilization. Additionally, the life-cycle carbon emissions of the nuclear-based synfuel production process are very low, with WTW emissions of approximately 25 gCO 2 e/MJ, including steam credits (generated from FT process excess heat), and approximately 7 gCO 2 e/MJ, if steam credits are excluded. This compares favorably with the WTW emissions of 90.5 gCO 2 e/MJ for a compression-ignition, direct injection (CIDI) vehicle with a fuel economy of 31.6 miles per gallon gasoline equivalent (MPGGE), using low-sulfur diesel produced using conventional petroleum production and refining processes. Several NPPs in various regions of the U.S. are considered as case study analyses. Supply locations and transportation via pipeline of the CO 2 feedstock to the NPP site are analyzed through the National Energy Technology Laboratory (NETL) CO 2 Transport Cost model. The team finds that the amount of CO 2 generated by different sectors is sufficient for the synfuel production process at all locations considered. The CO 2 transportation costs are functions of the distance of the source to the NPP location, the CO 2 capture cost at the source, and the quantity of CO 2 transported. Historical electricity prices for the NPP case study locations are collected and analyzed. Monthly average prices, price range, and duration of negative-price periods vary among these locations. For each location, an auto-regressive moving average (ARMA) model is trained on historical electricity price data. ARMA validation is done to ensure the synthetic price distributions represent one of historical prices with high fidelity. Synthetic time series from these ARMA models are used in a coupled dispatch and system optimization in the Holistic Energy Resource Optimization Network (HERON) to compute the differential net present value (NPV) of the IES. The team finds that this econometric is positive, ranging from $14M–1.3bn (2020) depending on the location. The optimal synfuel IES configuration to obtain this increase in NPV often maximizes the size of the synfuel production process with regards to the size of the NPP. However, the team shows that the NPP still plays a stabilizing role for the grid: In periods of high prices and high loads, more electricity from the NPP is sent to the grid. A high variability of electricity prices and extreme maximum prices tend to drive up electricity production. While it requires significant investment, the synfuel IES could increase the economic profitability for the existing fleet of LWRs across the country while still maintaining the grid stabilizer role of NPPs. During its lifetime, the main costs for the nuclear synfuel IES are the carbon feedstock transportation costs, followed by the capital expenses (CAPEX) and operation and maintenance (O&M) costs while the revenue comes first from the IRA H 2 production tax credit (PTC) and then from the sales of synfuel products. The profitability of the synfuel IES is most sensitive to the value of the hydrogen PTC and the synfuel products as well as the cost of the carbon feedstock, highlighting the importance of governmental incentives regarding hydrogen, carbon emissions, and synfuel in driving the deployment of future nuclear synfuel IESs.

08 HYDROGEN↗
DOE OSTI2024

Real-Time Gear-Shift Optimization for an Autonomous Wheel Loader

Off-road vehicles, such as wheel loaders, consume a significant amount of fuel during the transportation of materials. The gear-shifting process is crucial in fuel savings for transportation, and therefore, optimization of gearshifts is important for vehicle control. For an autonomous off-road vehicle, there is potential for more fuel savings by proper coordination of gearshift optimization and optimization of other control inputs. This brief proposes a new method for integrating gear-shifting into transportation optimization for an autonomous wheel loader to minimize fuel consumption. Furthermore, tests conducted on short loading cycles show that this method can save around 10%–20% of fuel on average compared with a conventional gearshift-scheduling method.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2007

Spatial Reorientation of Sensorimotor Balance Control in Altered Gravity

Sensorimotor coordination of body segments following space flight are more pronounced after landing when the head is actively tilted with respect to the trunk. This suggests that central vestibular processing shifts from a gravitational frame of reference to a head frame of reference in microgravity. A major effect of such changes is a significant postural instability documented by standard head-erect Sensory Organization Tests. Decrements in functional performance may still be underestimated when head and gravity reference frames remained aligned. The purpose of this study was to examine adaptive changes in spatial processing for balance control following space flight by incorporating static and dynamic tilts that dissociate head and gravity reference frames. A second aim of this study was to examine the feasibility of altering the re-adaptation process following space flight by providing discordant visual-vestibular-somatosensory stimuli using short-radius pitch centrifugation.

Paloski, W. H.↗
DOE OSTI2024

Large-scale simulation-based parametric analysis of an optimal precooling strategy for demand flexibility in a commercial office building

Achieving success with grid-interactive efficient buildings (GEBs) is closely tied to the utilization of flexible loads. A valuable strategy involves the implementation of precooling techniques before high-demand events, such as peak hours, by adjusting zone air temperature setpoints. This leads to a reduction in thermal loads and peak electricity demand during these times, as the building’s thermal mass stores and subsequently releases thermal energy. However, the effectiveness of the pre-cooling optimization is highly contingent on specific conditions such as building thermal properties, weather conditions, utility rate structure, HVAC equipment sizing, etc. Therefore, investigating the impacts of these condition-specific factors is crucial, especially when considering precooling strategies that utilize thermal mass in commercial buildings. In this paper, we first devised a novel heuristic control approach that incorporates parameterized optimal precooling thermostat schedules to enhance demand flexibility in a commercial office building. Subsequently, we conducted a thorough performance evaluation of this control strategy. Here, the optimal thermostat schedule was parameterized using three optimization variables: the precooling start time, the precooling end time, and the precooling temperature setpoint. Utilizing the DOE medium-sized office building as the virtual testbed, we showed that the parameterized schedule effectively approximates model predictive control and requires drastically reduced computational overhead. In addition, we investigated the impact of different influencing factors on the optimal precooling strategy. These factors include building thermal mass, outdoor air conditions, and energy price profiles. Using high-performance computing, we simulated a total of 225 scenarios, consisting of three levels of thermal mass, five typical outdoor air temperature profiles, and fifteen time-of-use price plans. The results demonstrate that optimal thermostat scheduling could save substantial energy cost in medium-sized office buildings with heavy thermal mass but with some energy penalty. Although the potential for cost savings is lower in buildings with low and medium thermal mass, the energy penalty remains consistent in all three thermal mass scenarios. The study also highlights the need to account for zone diversity and recognize that a one-size-fits-all-zone setpoint schedule may not be suitable for all zones and can lead to unnecessary energy wastage. Furthermore, the results highlight that while outdoor air conditions play a role in cost and energy performance, the cooling load exerts a more immediate and substantial influence on cost savings in precooling strategies. Although cost savings are comparable under certain conditions with the same cooling load, observed deviations in energy penalty indicate potential disparities in the efficiency of the HVAC system during the load-shifting process. In addition, the duration of peak pricing and the ratio between peak and off-peak times exhibit clear correlations with cost savings and energy consumption, aligning with intuitive expectations. These findings offer valuable insights for optimizing precooling strategies in office buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2005

NASA Remote Sensing Data in Earth Sciences: Processing, Archiving, Distribution, Applications at the GES DISC

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is one of the major Distributed Active Archive Centers (DAACs) archiving and distributing remote sensing data from the NASA's Earth Observing System. In addition to providing just data, the GES DISC/DAAC has developed various value-adding processing services. A particularly useful service is data processing a t the DISC (i.e., close to the input data) with the users' algorithms. This can take a number of different forms: as a configuration-managed algorithm within the main processing stream; as a stand-alone program next to the on-line data storage; as build-it-yourself code within the Near-Archive Data Mining (NADM) system; or as an on-the-fly analysis with simple algorithms embedded into the web-based tools (to avoid downloading unnecessary all the data). The existing data management infrastructure at the GES DISC supports a wide spectrum of options: from data subsetting data spatially and/or by parameter to sophisticated on-line analysis tools, producing economies of scale and rapid time-to-deploy. Shifting processing and data management burden from users to the GES DISC, allows scientists to concentrate on science, while the GES DISC handles the data management and data processing at a lower cost. Several examples of successful partnerships with scientists in the area of data processing and mining are presented.

Leptoukh, Gregory G.↗
DOE OSTI2015

High Temperature Syngas Cleanup Technology Scale-up and Demonstration Project

Gasification is a technology for clean energy conversion of diverse feedstocks into a wide variety of useful products such as chemicals, fertilizers, fuels, electric power, and hydrogen. Existing technologies can be employed to clean the syngas from gasification processes to meet the demands of such applications, but they are expensive to build and operate and consume a significant fraction of overall parasitic energy requirements, thus lowering overall process efficiency. RTI International has developed a warm syngas desulfurization process (WDP) utilizing a transport-bed reactor design and a proprietary attrition-resistant, high-capacity solid sorbent with excellent performance replicated at lab, bench, and pilot scales. Results indicated that WDP technology can improve both efficiency and cost of gasification plants. The WDP technology achieved ~99.9% removal of total sulfur (as either H 2 S or COS) from coal-derived syngas at temperatures as high as 600°C and over a wide range of pressures (20-80 bar, pressure independent performance) and sulfur concentrations. Based on the success of these tests, RTI negotiated a cooperative agreement with the U.S. Department of Energy for precommercial testing of this technology at Tampa Electric Company’s Polk Power Station IGCC facility in Tampa, Florida. The project scope also included a sweet water-gas-shift process for hydrogen enrichment and an activated amine process for 90+% total carbon capture. Because the activated amine process provides some additional non-selective sulfur removal, the integration of these processes was expected to reduce overall sulfur in the syngas to sub-ppmv concentrations, suitable for most syngas applications. The overall objective of this project was to mitigate the technical risks associated with the scale up and integration of the WDP and carbon dioxide capture technologies, enabling subsequent commercial-scale demonstration. The warm syngas cleanup pre-commercial test unit was designed and constructed on schedule and under budget and was operated for approximately 1,500 total hours utilizing ~20% of the IGCC’s total syngas as feed (~1.5 MM scfh of dry syngas). The WDP system reduced total sulfur levels to ~10 ppmv (~99.9% removal) from raw syngas that contained as high as 14,000 ppmv of total sulfur. The integration of WDP with the activated amine process enabled further reduction of total sulfur in the final treated syngas to the anticipated sub-ppmv concentrations (>99.99% removal), suitable for stringent syngas applications such as chemicals, fertilizers, and fuels. Techno-economic assessments by RTI and by third parties indicate potential for significant (up to 50%) capital and operating cost reductions for the entire syngas cleanup block when WDP technology is integrated with a broad spectrum of conventional and emerging carbon capture or acid gas removal technologies. This final scientific/technical report covers the pre-FEED, FEED, EPC, commissioning, and operation phases of this project, as well as system performance results. In addition, the report addresses other parallel-funded R&D efforts focused on development and testing of trace contaminant removal process (TCRP) sorbents, a direct sulfur recovery process (DSRP), and a novel sorbent for warm carbon dioxide capture, as well as pre-FEED, FEED, and techno-economic studies to consider the potential benefit for use of WDP for polygeneration of electric power and ammonia/urea fertilizers.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Photoluminescence of a Uranium(IV) Alkoxide Complex

In this report, we describe the photoluminescence of a homoleptic uranium(IV) alkoxide complex. Excitation of [Li(THF)] 2 [U IV (O t Bu) 6 ] leads to the first example of photoluminescence from a well-defined actinide complex originating from an f–f excitation, supported by second order multiconfigurational electronic structure calculations including spin–orbit coupling. These calculations show strong spin–orbit coupling between the excited triplet and singlet states for the 5f-orbital manifold, which leads to a long-lived excited state lifetime of 0.85 s at low temperature. The photophysical properties of homoleptic uranium(V) and uranium(VI) tertbutoxide complexes are also presented; we find that oxidation of the uranium(IV) alkoxide results in quenching of luminescence in [Li(THF)][U V (O t Bu) 6 ] and [U VI (O t Bu) 6 ]. This is attributed to competing ligand to metal charge transfer absorption processes shifted to lower energy upon oxidation of the actinide center, which mask the relevant f–f transitions in the visible region of the electronic absorption spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Coal Ash Behavior in Reducing Environments (CABRE) III: Year 6 - Activity 1.10 - Development of a National Center for Hydrogen

The Energy & Environmental Research Center (EERC) has been conducting research on gasification for six decades. One of the objectives of this gasification research has been to maximize carbon conversion and the water–gas shift process for optimal hydrogen production and syngas quality. This research focus and experience were a perfect fit for the National Center for Hydrogen Technology ® (NCHT®) Program at the EERC for improving all aspects of coal gasification, which ultimately aids in the production and purification of hydrogen. A consortia project was developed under the NCHT Program to develop an improved predictive model for ash formation and deposition under the project entitled “Coal Ash Behavior in Reducing Environments (CABRE) III: Development of the CABRE III Model.” The computer-based program is now applicable to the modeling of coal and ash behavior in both entrained-flow and fluidized-bed gasification systems to aid in overall gasification efficiency. This model represents a significant improvement over the CABRE II model and runs on a Microsoft Windows PC platform.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

Advanced gasifier and water gas shift technologies for low cost coal conversion to high hydrogen syngas

The Gas Technology Institute (GTI) and team members RTI International (RTI), Coanda Research and Development, and Nexant, are developing and maturing a portfolio of technologies to meet the United States Department of Energy (DOE) goals for lowering the cost of producing high hydrogen syngas from coal for use in carbon capture power and coal-to-liquids/chemicals. This project matured an advanced pilot-scale gasifier, with scalable and commercially traceable components, to readiness for use in a first-of-a-kind commercially-relevant demonstration plant on the scale of 500-1,000 tons per day (TPD). This was accomplished through cold flow simulation of the gasifier quench zone transition region at Coanda and through an extensive hotfire gasifier test program on highly reactive coal and high ash/high ash fusion temperature coals at GTI. RTI matured an advanced water gas shift process and catalyst to readiness for testing at pilot plant scale through catalyst development and testing, and development of a preliminary design basis for a pilot scale reactor demonstrating the catalyst. A techno-economic analysis was performed by Nexant to assess the potential benefits of the gasifier and catalyst technologies in the context of power production and methanol production. This analysis showed an 18%reduction in cost of power and a 19%reduction in cost of methanol relative to DOE reference baseline cases.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2012

Nanopattering in CeOx/Cu(111): A New Type of Surface Reconstruction and Enhancement of Catalytic Activity

Our results indicate that small amounts of an oxide deposited on a stable metal surface can trigger a massive surface reconstruction under reaction conditions. In low-energy electron microscopy (LEEM) experiments, no reconstruction of Cu(111) is observed after chemisorbing oxygen or after reducing O/Cu(111) in a CO atmosphere. On the other hand, LEEM images taken in situ during the reduction of CeO{sub 2}/CuO{sub 1-x}/Cu(111) show a complex nonuniform transformation of the surface morphology. Ceria particles act as nucleation sites for the growth of copper microterraces once CuO{sub 1-x} is reduced. Can this reconstructed surface be used to enhance the catalytic activity of inverse oxide/metal catalysts? Indeed, CeO{sub x} on reconstructed Cu(111) is an extremely active catalyst for the water-gas shift process (CO + H{sub 2}O {yields} H{sub 2} + CO{sub 2}), with the Cu microterraces providing very efficient sites for the dissociation of water and subsequent reaction with CO.

08 HYDROGEN↗
DOE OSTI2012

Dynamic simulation and load-following control of an integrated gasification combined cycle (IGCC) power plant with CO{sub 2} capture

Load-following control of future integrated gasification combined cycle (IGCC) plants with pre-combustion CO{sub 2} capture is expected to be far more challenging as electricity produced by renewable energy is connected to the grid and strict environmental limits become mandatory requirements. To study control performance during load following, a plant-wide dynamic simulation of a coal-fed IGCC plant with CO{sub 2} capture has been developed. The slurry-fed gasifier is a single-stage, downward-fired, oxygen-blown, entrained-flow type with a radiant syngas cooler (RSC). The syngas from the outlet of the RSC goes to a scrubber followed by a two-stage sour shift process with inter-stage cooling. The acid gas removal (AGR) process is a dual-stage physical solvent-based process for selective removal of H{sub 2}S in the first stage and CO{sub 2} in the second stage. Sulfur is recovered using a Claus unit with tail gas recycle to the AGR. The recovered CO{sub 2} is compressed by a split-shaft multistage compressor and sent for sequestration after being treated in an absorber with triethylene glycol for dehydration. The clean syngas is sent to two advanced “F”-class gas turbines (GTs) partially integrated with an elevated-pressure air separation unit. A subcritical steam cycle is used for heat recovery steam generation. A treatment unit for the sour water strips off the acid gases for utilization in the Claus unit. The steady-state model developed in Aspen Plus® is converted to an Aspen Plus Dynamics® simulation and integrated with MATLAB® for control studies. The results from the plant-wide dynamic model are compared qualitatively with the data from a commercial plant having different configuration, operating condition, and feed quality than what has been considered in this work. For load-following control, the GT-lead with gasifier-follow control strategy is considered. A modified proportional–integral–derivative (PID) control is considered for the syngas pressure control. For maintaining the desired CO{sub 2} capture rate while load-following, a linear model predictive controller (LMPC) is implemented in MATLAB®. A combined process and disturbance model is identified by considering a number of model forms and choosing the final model based on an information-theoretic criterion. The performance of the LMPC is found to be superior to the conventional PID control for maintaining CO{sub 2} capture rates in an IGCC power plant while load following.

01 COAL, LIGNITE, AND PEAT↗