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In-Situ Visualization with the ParaView Coprocessing Library.
Abstract not provided.
Lignite-plus-Biomass to Synthetic Jet Fuel with CO2 Capture and Storage: Design, Cost, and Greenhouse Gas Emissions Analysis for a Near-Term First-of-a-Kind Demonstration Project and Prospective Future Commercial Plants
We report on a 30-month design study for a first-of-a-kind (FOAK) demonstration plant that would be built at a site near Meridian, Mississippi, to coprocess lignite coal and woody biomass into jet fuel. The design uses an oxygen-blown TRIG™ gasifier developed by KBR and Southern Company. Fischer-Tropsch conversion of the syngas produces synthetic paraffinic kerosene (SPK) as the primary product, plus naphtha. Other co-products include electricity sold to the grid and CO 2 sold for use in enhanced oil recovery (EOR). Previous studies have identified coprocessing of various coals and biomass with CO 2 capture as promising options for cost-competitive production of low net lifecycle greenhouse gas (GHG) emissions synthetic fuels. The effort reported here goes beyond earlier studies in the level of detail in process design and cost estimation with the aim of improving the understanding of the economic prospects for lignite and woody biomass coprocessing systems. Key objectives in the design of the FOAK lignite/biomass-to-jet (LBJ) plant were to achieve net lifecycle GHG emissions for the SPK that are less than for conventional petroleum-derived jet fuel and to make process design and equipment selections such that the plant could be built and operated in the near term, e.g., before 2025. The process design was developed by researchers at Princeton University and the University of Queensland and validated by engineers at the WorleyParsons Group (WP). Commercial vendors provided design and cost estimates for several major plant components. Bare-erected capital costs and operating and maintenance costs were estimated by WP. The primary objective in building and operating the FOAK plant would be to demonstrate the technical viability of the LBJ concept as an essential first step toward launching commercial-scale plants in the longer term. With this in mind, the project team developed a set of principles to help guide the process design: the total plant cost should be less than 2 billion USD (to limit investment risk); the level of input biomass should be both proportionally significant to reflect biomass/lignite co-gasification and sufficient to achieve GHG emissions goals; process design decisions and vendor/equipment selections should prioritize the likelihood of technical success over minimizing the cost of jet fuel production. The resulting FOAK plant design capacity is 1,551 metric t/d (45.5% moisture) lignite and 556 t/d (43.3% moisture) biomass, for a total input of 295 MW HHV , of which 25% is biomass. The design output is 1,252 actual barrels per day of liquids, of which 80% is SPK (62.3 MW LHV ) and 20% is naphtha (13.9 MW LHV ). It exports 15 MW e of electricity after satisfying a 38 MW e onsite auxiliary load. Additional products are 1,326 t/d of pressurized pipeline-quality CO 2 and 49 t/day of sulfuric acid (93 wt% H 2 SO 4 ). With thinnings from sustainably-managed southern pine plantations as the biomass, and with captured CO 2 stored underground via EOR, the net lifecycle emissions for the SPK product are estimated to be about one-quarter of those for petroleum-derived jet fuel. The bare-erected cost (BEC) estimated by WP for this plant is 588 million USD (2015). The authors’ best estimate of total plant cost (TPC) is 1,230 million USD, arrived at by assuming engineering, procurement and construction management services (20% of BEC), process 5 contingencies (35% of BEC), and project contingencies (35% of the sum of all other costs, i.e., 35% of 1.55xBEC). Not surprisingly, an annual discounted cash flow (DCF) analysis determined that it would be impossible to generate a positive net present value (NPV) over a wide range in key input assumptions. An SPK production cost subsidy of nearly 400/bbl USD over a 20-year plant life would be required to achieve zero NPV under a baseline set of assumptions (including 3% real weighted average cost of capital and a levelized crude oil price of 80/bbl USD). Alternatively, a capital grant in excess of the TPC value would also achieve zero NPV. The poor financial results reflect the small scale of the plant, the design principle to prioritize technical success, the levels of contingencies appropriate for the relatively early stage of project development, and the first-of-a-kind nature of the plant. Technology innovations, learning via construction and operating experience, alternative plant configurations, and larger scale should improve economics of future plants. To help understand these prospects, a preliminary analysis of N th -of-a-kind (NOAK) plants was developed, but with the limitation that plants would use only equipment components that for the most part are already commercial today: consideration of advanced, not-yet-commercial technologies and of R&D-driven improvements in existing technologies were beyond the scope of this analysis. The analysis found that a variety of NOAK plant designs that coprocess lignite and woody biomass to make jet fuel are unlikely to be economically competitive without subsidy even in the presence of a high future carbon tax or equivalent greenhouse gas mitigation policy. This conclusion applies to process configurations and input biomass/lignite ratios that result in net GHG emissions as high as those for petroleum-derived jet fuel and as low as zero. In contrast, encouraging results were found for plants processing only biomass. The economics of these “BECCS” plants (biomass energy with CCS) improve dramatically with the strength of carbon mitigation policies because of their strongly negative net GHG emissions. These findings do not imply that coal/biomass coprocessing strategies for making synfuels with CCS are not economically promising – only that, in the case of lignite, much more than a 25% biomass coprocessing rate would be needed. However, our analysis shows that all such systems are unlikely to be economic in the absence of a strong carbon mitigation policy. Future R&D driven technological innovations could modify this conclusion. Among other R&D priorities, an emphasis on better understanding and reducing plant auxiliary loads is warranted.
Tracking renewable carbon in bio-oil/crude co-processing with VGO through 13C/12C ratio analysis
Not Available
Case Study: Hybrid Carbon Conversion Using Low-Carbon Energy Sources in Coal-Producing States
The demand for more carbon efficient power sources and a decrease in natural gas prices has decreased the desire for coal power. This decrease in demand has led to massive job losses in coal mining regions over the past decade. The purpose of this project is to develop a hybrid energy system utilizing both a coal power plant and advanced reactor, which is competitive with natural gas by improving on profitability and decreasing carbon emissions. This report details the problem with a summary of the impact on the coal industry and the availability of renewable energy sources in the Appalachian region. Because of the geography of the region, variable renewable energy sources are not available without significant size and siting restrictions. However, biomass in the form of wood waste is abundant and can be used as a carbon neutral energy source. Combining biomass and coal processing, in addition to thermal power plants, can increase system profits and efficiency by providing peaking power and conversion opportunities for secondary markets. The electric load is based on publicly available demand data from Appalachian Power, which services the western Virginia and southern West Virginia in the Appalachian region. The demand information is combined by service, normalized, and scaled to an average demand of 1000 kW, which will be the basis for sizing the hybrid energy system. A traditional screening curve analysis for a coal plant and advanced reactor shows that the least cost design varies significantly based on the assumed discount rate and capital recovery period. An optimization program to size the design in TEAL based on the load curve gives 10 optimal designs, all with a negative resulting net present value (NPV) and a coal plant capacity of less than 15%. Including profits from selling captured carbon at a flat rate results in a positive NPV; however, the coal capacity factor only increases to about 40%. There are limitations with this optimization as well since the price of CO2 is likely to decrease as more is sold to the conversion market. The suggested design will combine coal power, an advanced reactor, and coal and biomass coprocessing to produce a variety of products that can be sold to the conversion market while increasing system efficiency. The analysis of conversion pathways for coal and biomass reveals that multiple options will need to be included in the analysis to produce the optimal system design. Three systems will be optimized and compared to determine the best design based on the figures of merit of total NPV and cost of carbon avoided. The first system will include a coal power plant and an advanced reactor that will sell electricity to the grid to meet demand and sell captured carbon to the conversion market. The second system adds a high-temperature steam electrolysis plant, which will utilize electricity during times of low demand to produce hydrogen and sell it to the conversion market. The third system adds biomass and coal processing with options for hydrocarbon oils, syngas to be produced for the conversion market, and electricity generation to power components within the system or provide peaking power. This analysis will be based on a new approach that combines traditional screening curve methods with a dispatch algorithm that optimizes the system based on the opportunity cost of different production options. The resulting optimization algorithm should provide results with less processing time than HERON’s decision tree method. The results from this analysis will determine an optimal design and reinforce the benefits of coal power when used in a hybrid energy system. The initial results show that the addition of a secondary market for carbon sales could result in a positive NPV and increases the capacity factor of the coal plant as compared to a design with only sales to the electricity market. The addition of more markets and additional coal consumption from biomass coprocessing could increase NPV further, replace carbon in other markets through the sale of biomass-derived hydrocarbons, and demonstrate the value of coal power technology.
Model quantification of the effect of coproducts and refinery co-hydrotreating on the economics and greenhouse gas emissions of a conceptual biomass catalytic fast pyrolysis process
Here we present model results for a scaled-up conceptual process informed by bench scale biomass catalytic fast pyrolysis (CFP) and hydrotreating experimental data. This process uses a Pt/TiO 2 catalyst during CFP, which produces a partially deoxygenated organic biocrude intermediate that is then hydroprocessed to a hydrocarbon fuel blendstock; the catalyst also enables high yields of acetone and methyl-ethyl-ketone (MEK) coproducts. Two options for hydroprocessing were modeled: (A) co-hydrotreating at a petroleum refinery using hydrogen sourced from steam reforming of natural gas and (B) standalone hydrotreating at a biorefinery using hydrogen sourced from CFP off gases. The results revealed that Case A was economically advantageous with a modeled minimum fuel selling price (MFSP) of $\$$2.83/GGE or gallon gasoline equivalent (in 2016 US dollars), while the additional cost of standalone hydrotreating facilities in Case B increased the MFSP to $3.13/GGE. Conversely, greenhouse gas (GHG) emissions were lower for Case B (3.9 g CO 2 e/MJ) compared to Case A (21.5 g CO 2 e/MJ) due to the use of biogenic (Case B) and fossil-derived (Case A) hydrogen. In a third option (Case C), the requirements for separation and purification of acetone and MEK were removed from the refinery co-processing scenario (Case A) to evaluate the impacts of this process simplification. Elimination of these coproducts increased the MFSP to $3.21/GGE and GHG emissions to 35 g CO 2 e/MJ. These comparisons based on our detailed conceptual models provide economic and sustainability guidance regarding processing choices for future biorefineries. While refinery coprocessing using existing equipment and the production of relatively valuable coproducts can benefit the economics, the hydrogen-source and biogenic coproducts can have significant impacts on the sustainability of the process, and feasibility to use CFP off-gases or other renewable sources for hydrogen production can help lower GHG emissions.
SDAV Viz July Progress Update: LANL
SDAV Viz July Progress Update: (1) VPIC (Vector Particle in Cell) Kinetic Plasma Simulation Code - (a) Implemented first version of an in-situ adapter based on Paraview CoProcessing Library, (b) Three pipelines: vtkDataSetMapper, vtkContourFilter, vtkPistonContour, (c) Next, resolve issue at boundaries of processor domains; add more advanced viz/analysis pipelines; (2) Halo finding/merger trees - (a) Summer student Wathsala W. from University of Utah is working on data-parallel halo finder algorithm using PISTON, (b) Timo Bremer (LLNL), Valerio Pascucci (Utah), George Zagaris (Kitware), and LANL people are interested in using merger trees for tracking the evolution of halos in cosmo simulations; discussed possible overlap with work by Salman Habib and Katrin Heitmann (Argonne) during their visit to LANL 7/11; (3) PISTON integration in ParaView - Now available from ParaView github.
Co-Hydrotreatment of Pyrolytic Lignin and Waste Cooking Oil to Produce Hydrocarbons
The co-hydrotreatment of pyrolysis bio-oils and vegetable oils could facilitate the integration of bioderived fuels into existing fuel infrastructures without significant modifications. Co-hydrotreatment studies with different PL/WCO blend ratios (0, 10, 20, 30, and 40 wt %) were conducted over the NiMo/γ-Al 2 O 3 catalyst. The coke formation value for WCO was 0.7 wt % and ranged between 1.5 and 2.5 wt % with the increase of pyrolytic lignin in the blend. The data suggest that coke is formed from both the sugar- and lignin-derived oligomers since the coke yield reported in this study is comparable with the coke yield obtained by coprocessing the bio-oil fraction without light oxygenate compounds, based on previous studies. All blends are recommended for co-hydrotreatment based on coke yield. The resulting organic phase was distilled into hydrocarbons at <150 °C, 150 to 250 °C, and 250 to 350 °C. The organic product’s overall hydrocarbon distribution was strongly dependent on the pyrolytic lignin concentration. The yield of the distillation cut with a boiling point range between 250 and 350 °C was higher in the hydrotreated samples, with more than 20% during distillation. Two-dimensional GC×GC was used to determine carbon distribution on the combustibles. FTIR and UV fluorescence spectra showed that most feedstocks were converted to potential combustibles for transportation applications after hydrotreatment. The distillation cuts properties, such as density, viscosity, and surface tension, were reported and compared to transportation fuel properties. Hydrocarbon yields reveal the potential of cohydrotreatment to upgrade pyrolytic lignin into valuable products. Furthermore, these findings provide useful insights into utilizing pyrolytic lignin to produce promising combustibles suitable for transportation applications.
Opportunity Assessment for Sustainable Aviation Fuel Production from Woody Biomass via Ex Situ Catalytic Fast Pyrolysis and Refinery Hydroprocessing
Biofuels have become a promising solution to reduce emissions in hard-to-electrify transportation sectors, such as aviation. However, several biofuel conversion pathways will likely be needed to scale sustainable aviation fuel (SAF) production to meet lower carbon intensity goals when biomass feedstock availability constraints are considered. This study evaluates the future potential of the catalytic fast pyrolysis (CFP) pathway to contribute to U.S. SAF production goals as outlined in the U.S. Department of Energy’s (DOE) SAF Grand Challenge, understanding that the CFP pathway is still under development toward maturity and scaleup. National forestland resource data from the DOE’s 2023 Billion Ton Study are integrated with recent experimental results demonstrating end-to-end woody biomass conversion to SAF via CFP and hydroprocessing in a novel bioeconomy optimization framework. U.S. refinery hydroprocessing capacity is also considered with repurposing and coprocessing strategies. Results indicate that the CFP process can contribute up to 4.6 billion gallons of SAF annually by 2040, meeting 13% of the 2050 SAF Grand Challenge target while reducing the carbon intensity (CI) of the U.S. jet fuel pool by 16%. The study further explores optimal processing strategies, suggesting that colocating CFP operations with existing petroleum refineries and repurposing some U.S. hydrocracking capacity may offer significant cost advantages and enhance the commercial viability of the CFP pathway. These results underscore the CFP pathway’s potential to support the global aviation industry’s lower carbon intensity objectives while producing other renewable fuels and products.
Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures
In this paper, we report reimplementation of the core algorithms of relativistic coupled cluster theory aimed at modern heterogeneous high-performance computational infrastructures. The code is designed for parallel execution on many compute nodes with optional GPU coprocessing, accomplished via the new ExaTENSOR back end. The resulting ExaCorr module is primarily intended for calculations of molecules with one or more heavy elements, as relativistic effects on the electronic structure are included from the outset. In the current work, we thereby focus on exact two-component methods and demonstrate the accuracy and performance of the software. The module can be used as a stand-alone program requiring a set of molecular orbital coefficients as the starting point, but it is also interfaced to the DIRAC program that can be used to generate these. We therefore also briefly discuss an improvement of the parallel computing aspects of the relativistic self-consistent field algorithm of the DIRAC program.
Extreme-Scale Stochastic Particle Tracing for Uncertain Unsteady Flow Visualization and Analysis
We present an efficient and scalable solution to estimate uncertain transport behaviors-stochastic flow maps (SFMs)-for visualizing and analyzing uncertain unsteady flows. Computing flow maps from uncertain flow fields is extremely expensive because it requires many Monte Carlo runs to trace densely seeded particles in the flow. We reduce the computational cost by decoupling the time dependencies in SFMs so that we can process shorter sub time intervals independently and then compose them together for longer time periods. Adaptive refinement is also used to reduce the number of runs for each location. We parallelize over tasks-packets of particles in our design-to achieve high efficiency in MPI/thread hybrid programming. Such a task model also enables CPU/GPU coprocessing. We show the scalability on two supercomputers, Mira (up to 256K Blue Gene/Q cores) and Titan (up to 128K Opteron cores and 8K GPUs), that can trace billions of particles in seconds.
A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C ++
As quantum computing hardware systems continue to advance, the research and development of performant, scalable, and extensible software architectures, languages, models, and compilers is equally as important to bring this novel coprocessing capability to a diverse group of domain computational scientists. For the field of quantum chemistry, applications and frameworks exist for modeling and simulation tasks that scale on heterogeneous classical architectures, and we envision the need for similar frameworks on heterogeneous quantum-classical platforms. Furthermore, we present the XACC system-level quantum computing framework as a platform for prototyping, developing, and deploying quantum-classical software that specifically targets chemistry applications. We review the fundamental design features in XACC, with special attention to its extensibility and modularity for key quantum programming workflow interfaces and provide an overview of the interfaces most relevant to simulations of chemistry. A series of examples demonstrating some of the state-of-the-art chemistry algorithms currently implemented in XACC are presented, while also illustrating the various APIs that would enable the community to extend, modify, and devise new algorithms and applications in the realm of chemistry.
International Best Practices for Pre-Processing and Co-Processing Municipal Solid Waste and Sewage Sludge in the Cement Industry
The purpose of this report is to describe international best practices for pre-processing and coprocessing of MSW and sewage sludge in cement plants, for the benefit of countries that wish to develop co-processing capacity. The report is divided into three main sections. Section 2 describes the fundamentals of co-processing, Section 3 describes exemplary international regulatory and institutional frameworks for co-processing, and Section 4 describes international best practices related to the technological aspects of co-processing.
Co-processing Part 3: LANL Studies Quicker Method to Identify Renewable Carbon Percentages in Fuel Blends [Success Story]
Upgrading bio-oils with petroleum feedstocks at existing refineries—known as “co-processing”—could offer a fast pathway for lowering the carbon footprint of today’s transportation fuels. With equipment and infrastructure already in place, more than 100 refineries across the country are equipped to integrate bio-oil into their processes. But just where might companies insert sustainable bio-oils into existing refinery systems like fluid catalytic crackers and hydrotreaters? If successful, just how much of that renewable or “green” carbon makes it into final fuel products? In this three-part blog series, the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Los Alamos National Laboratory (LANL) offer insights into these pressing coprocessing questions—and others—amid the push to dramatically expand the production of climate-friendly fuels. Read part 1 and part 2.
SAF Market, Logistics, and Blending
Review of SAF plants, production, consumption, coprocessing, jet fuel movements, SAF/Jet A blending.
Materials property definition and generation for carbon-carbon and carbon phenolic materials
A data base program to generate statistically significant material-property data for carbon-carbon and carbon phenolic materials to be used in designs of Space Shuttle is described. The program, which will provide data necessary for thermal and stress modeling of Shuttle nozzle and exit cone structures, includes evaluation of tension, compression, shear strength, shear modulus, thermal expansion, thermal conductivity, permeability, and emittance for both materials; the testing of carbon phenolic materials also includes CTE, off-gassing, pyrolysis, and RTG. Materials to be tested will be excised from Space Shuttle inlet, throat, and exit cone billets and modified involute carbon-carbon exit cones; coprocessed blocks, panels, and cylinders will also be tested.
Slip casting and extruding shapes of rhemium with metal oxide additives. Part 2: Development of grain stabilized rhenium parts for resistojets
The adaptation of the powdered particle process used for pure metal oxides to the coprocessing of rhenium oxides suitable to produce pure miniature resistojet hardware has been successful. Both slip casting and extrusion processes were used. The metal oxide ZrO2 was stabilized into the cubic phase with Y2O3, for use as a potentially grain stabilizing additive to rhenium. Straight meter long tubing in two sizes are reported. Tubing suitable for resistojet ohmic heater use of fully fired dimensions of nominally 3.8 mm o.d. x 2.2 mm i.d.. and 1.26 mm o.d. x .45 mm i.d. with 0, 0.5, 1.0 and 5.0% zirconia additives were produced for further study. Photomicrographs of these are discussed. The addition of the metal oxide zirconia to rhenium resulted in more dense and less porous parts. The additions of phase stabilized zirconia most likely act as a sintering aid. Tubes of varying diameter were slip cast which were representative of miniature pressure cases.
Pyrolysis Vapor and Bio-Oil Preconditioning via Ex Situ Hydrodeoxygenation and Alkylation Using a Heteropolyacid Catalyst
Ex situ catalytic preconditioning of biomass pyrolysis vapors (partial deoxygenation) has the potential for both reducing the oxygen content and beneficially influencing the oxygen speciation of condense bio-oils for enhancement of downstream condensed phase upgrading processes. Here, condensed phase upgrading processes may refer to both coprocessing and hydroprocessing with vacuum gas-oil (VGO). Reduction of oxygen content to produce bio-oils with greater hydrophobicity can enhance VGO-solubility while tailoring of oxygen speciation by removal of reactive carbonyls (e.g., acetic acid) can lessen catalytic deactivation via coking reactions. 1,2 Furthermore, enhanced VGO-solubility and reduced coking leads to greater biogenic carbon incorporation in end-products from condensed phase upgrading processes. By leveraging the hydrodeoxygenation and alkylation activity of a titania-supported molybdenum-heteropolyacid (Mo-HPA/TiO2) catalyst, pyrolysis vapors and resulting condensed bio-oils were effectively preconditioned for downstream upgrading. 3 Data regarding the use of Mo-HPA/TiO2 for pyrolysis vapor preconditioning will be presented on, including method of employment, catalyst characterization, and impacts on bio-oil in relation to downstream condensed phase upgrading processes. Our approach is to: Compare Mo-HPA/TiO2 product distribution to HZSM-5; Investigate Mo-HPA/TiO2 regeneration and characterize changes in acid site character; Assess product differences in terms of enhanced VGO-solubility.