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DOE OSTI2024

Mechanocatalytic Hydrogenolysis of the Lignin Model Dimer Benzyl Phenyl Ether over Supported Palladium Catalysts

This work demonstrates the mechanocatalytic hydrogenolysis of the ether bond in the lignin model compound benzyl phenyl ether (BPE) and hardwood lignin isolated by hydrolysis with supercritical water. Pd catalysts with 4 wt % loading on Al 2 O 3 and SiO 2 supports achieve 100% conversion of BPE with a toluene production rate of (2.6–2.9) × 10 –5 mol·min –1 . The formation of palladium hydrides under H 2 gas flow contributes to an increase in the turnover frequency by a factor of up to 300 compared to Ni on silica–alumina. While a near-quantitative toluene yield is obtained, some of the phenolic products remain adsorbed on the catalyst.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Poplar lignin structural changes during extraction in γ-valerolactone (GVL)

In this paper, we describe an approach for producing both high quality and high quantity of lignin through studying the structural change of lignin during treatment of poplar wood in γ-valerolactone (GVL) for a range of temperatures (from 80 to 120 °C) and reaction time at temperature (from 1 to 24 h). Throughout the study, various techniques, including nuclear magnetic resonance (NMR) spectroscopies (solution- and gel-state 1 H –13 C 2D HSQC and 31 P) and gel-permeation chromatography (GPC) were applied to characterize the lignin structures. As the GVL-extracted lignin yield increases, the level of β-ether units decreases and the level of condensation products increases. The β-ether content, the aliphatic hydroxyl group content, and the molecular weight of the GVL-extracted lignin fractions were close to the poplar lignin from other preparation methods (e.g., enzyme lignin). A two-step hydrolytic process (120 °C, 2 × 15 min) gave a higher lignin yield (56.5% vs. 54.8%) with three times higher β-ether content (31.9% vs. 10.6%) than lignin extracted from a single-step process at 120 °C for 1 h. The results demonstrate that multiple-step cycling of cosolvent-assisted hydrolysis can help preserve more of the virgin ether-bond structures of GVL-extracted poplar lignin. Such a strategy can also be applied to a fully continuous-flow reactor system in future research to further improve both the productivity and quality of GVL-extracted lignin.

2D HSQC NMR↗

DOE OSTI2023

Demonstration of Multi-Gamma Based Sensor Technology for As-Fired Coal Property Measurement

This project demonstrated the application of the use of an advanced multigamma attenuation (MGA) sensor to accurately and precisely measure coal properties at the point of injection into burners. Accurate and precise coal property information at the burner provides the opportunity to adjust burner parameters to better follow changing load condition, optimize flame stability, and decrease nitrogen oxide formation at each burner. In addition, coal property information at the burner will assist in managing slag flow behavior, fireside ash related deposition, corrosion, and erosion issues. The advantage of having multiple gamma emitters is that the atomic/elemental interaction with the gamma energy takes place at several energies and the resulting attenuation is dependent upon the atomic number of the atom/element encountered in the coal.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2024

Site-specific Design Case Study for Wet Waste Hydrothermal Liquefaction and Biocrude Upgrading to Hydrocarbon Fuels

Hydrothermal liquefaction (HTL) is a thermal process that converts wet biomass to renewable hydrocarbon fuel blendstocks (i.e., renewable naphtha, renewable diesel, and sustainable aviation fuel (SAF)). It can utilize a wide range of pure and blended wet feedstocks, including sewage sludge from water resource recovery facilities (WRRF), food and agriculture wastes, algae, fats, oils and greases (FOG) and blends of dry and wet wastes/feedstocks. Historically, techno-economic analysis (TEA) and annual state of technology (SOT) assessments with standard economic assumptions used by the Bioenergy Technologies Office (BETO) were conducted for the wet waste HTL pathway leveraging experimental data collected from Pacific Northwest National Laboratory’s (PNNL) continuous flow reactor systems. The objective of the SOT assessment has been to guide and track progress of BETO’s HTL research and development (R&D) toward reduced cost and greenhouse gas (GHG) emissions for the pathway. However, gaps exist between BETO’s traditional SOT updates and the needs of key external stakeholders that – if addressed – will accelerate technology adoption. This Business Case Study aims to bridge this gap by providing an updated design, TEA, and LCA based on PNNL’s FY23 R&D with added analyses and information that provide enhanced relevance for stakeholders of the HTL technology. This includes specific siting, regional wet waste resource inventory and transportation cost analyses, fuel market information, sustainable fuel policy impacts, economic metrics of net present value (NPV) and internal rate of return (IRR), greenhouse gas (GHG) emissions analysis, and statistical analysis of cost and technical uncertainties of the HTL plant design. The study focuses on the “Detroit combined statistical area (CSA)” region for siting of a wet waste HTL plant adjacent to the Great Lakes Water Authority (GLWA) facility with guidance from industry participants. Regional resource and siting analyses were conducted to identify feedstock availability, scale, and cost, as well as a beneficial site location. TEA with detailed rigorous capital cost estimation for the specific site application was conducted to evaluate the key economic metrics of most value to industrial partners. These include total capital investment, operating costs, minimum fuel selling price (MFSP) of the biocrude and fuel blendstock, and NPV and internal rate of return IRR with sustainable fuel credits. Life cycle analysis was conducted to evaluate the supply chain greenhouse gas (GHG) emissions for the wet waste HTL process as compared with petroleum derived diesel. This study is also informed by years of R&D and process de-risking learnings and was conducted with a basic engineering HTL plant design and costing that akin to a “first-of-a-kind” plant economics. This differs from our conventional “nth plant ” SOT assessments. Specifically, the HTL process model has been updated with more operationally reliable methods for feed heating and phase separations. Further, we have implemented additional spare equipment for redundancy, a more rigorous installed equipment cost estimation approach, and additional costs associated with feed formatting and delivery, building, piping and site development. An Excel-based cost sheet based on the basic engineering design is also released alongside the report that allows users to conduct customized TEA with their own feed composition and financial assumptions.

09 BIOMASS FUELS↗

NASA NTRS2003

Performance of the CELSS Antarctic Analog Project (CAAP) crop production system

Regenerative life support systems potentially offer a level of self-sufficiency and a decrease in logistics and associated costs in support of space exploration and habitation missions. Current state-of-the-art in plant-based, regenerative life support requires resources in excess of allocation proposed for candidate mission scenarios. Feasibility thresholds have been identified for candidate exploration missions. The goal of this paper is to review recent advances in performance achieved in the CELSS Antarctic Analog Project (CAAP) in light of the likely resource constraints. A prototype CAAP crop production chamber has been constructed and operated at the Ames Research Center. The chamber includes a number of unique hardware and software components focused on attempts to increase production efficiency, increase energy efficiency, and control the flow of energy and mass through the system. Both single crop, batch production and continuous cultivation of mixed crops production studies have been completed. The crop productivity as well as engineering performance of the chamber are described. For each scenario, energy required and partitioned for lighting, cooling, pumping, fans, etc. is quantified. Crop production and the resulting lighting efficiency and energy conversion efficiencies are presented. In the mixed-crop scenario, with 27 different crops under cultivation, 17 m2 of crop area provided a mean of 515 g edible biomass per day (85% of the approximate 620 g required for one person). Enhanced engineering and crop production performance achieved with the CAAP chamber, compared with current state-of-the-art, places plant-based life support systems at the threshold of feasibility. c2002 Published by Elsevier Science Ltd on behalf of COSPAR.

Lettuce/growth & development↗

NASA NTRS2011

Experimental and Modeling Studies of the Combustion Characteristics of Conventional and Alternative Jet Fuels. Final Report

The objectives of this project have been to develop a comprehensive set of fundamental data regarding the combustion behavior of jet fuels and appropriately associated model fuels. Based on the fundamental study results, an auxiliary objective was to identify differentiating characteristics of molecular fuel components that can be used to explain different fuel behavior and that may ultimately be used in the planning and design of optimal fuel-production processes. The fuels studied in this project were Fischer-Tropsch (F-T) fuels and biomass-derived jet fuels that meet certain specifications of currently used jet propulsion applications. Prior to this project, there were no systematic experimental flame data available for such fuels. One of the key goals has been to generate such data, and to use this data in developing and verifying effective kinetic models. The models have then been reduced through automated means to enable multidimensional simulation of the combustion characteristics of such fuels in real combustors. Such reliable kinetic models, validated against fundamental data derived from laminar flames using idealized flow models, are key to the development and design of optimal combustors and fuels. The models provide direct information about the relative contribution of different molecular constituents to the fuel performance and can be used to assess both combustion and emissions characteristics.

Meeks, Ellen↗

DOE OSTI2022

Evaluation of the energy balance of chemical looping combustion of solid fuels using CuO-based oxygen carriers

Chemical looping combustion (CLC) can inherently capture the CO2 generated during thermal energy production. When using CuO-based oxygen carriers, the reactions in both the fuel reactor (FR) and air reactor (AR) are exothermic, facilitating autothermal operation. To prevent the oxygen carrier from becoming agglomerated while ensuring a sufficient oxygen release rate, it is necessary to predict the FR temperature and remove an appropriate amount of heat from the AR when burning high-rank fuels. Here in this work, the energy balance of a CuO-based CLC system firing various solid fuels (biomass, coal, and petroleum coke) was investigated by establishing a thermodynamic model using FactSage. The energy distribution characteristics of the FR were quantified based on a virtual five-step thermodynamic sequence. The effects of fuel properties, oxygen carrier properties, and operating conditions on the energy balance were evaluated systematically. The results indicate that the temperature difference between the FR and AR is not very sensitive to the heating value of the fuel, while the CuO loading of the oxygen carrier, the heat capacity of the support material, and the flow rate of the fluidizing gas have significant impact. The insights obtained in this work will help improve the design and heat management of CLC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Data and Scripts associated with “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling.”

This data package is associated with the publication “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling” submitted to Geoscientific Model Development (Muller et al., 2024). In this manuscript, organic matter chemistry and thermodynamics are directly connected to reactive transport simulators through the newly developed Lambda-PFLOTRAN (Parallel Reactive Flow and Transport model) workflow tool that succinctly incorporates organic matter chemistry data generated from Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) into reaction networks to simulate aerobic respiration of the organic matter and the resulting biogeochemistry. Lambda-PFLOTRAN is a python-based workflow, executed through a Jupyter Notebook interface, that digests raw FTICR-MS data, develops a representative reaction network based on substrate-explicit thermodynamic modeling (also termed lambda modeling due to its key thermodynamic parameter λ used therein), and completes a biogeochemical simulation with the open source, reactive flow, and transport code PFLOTRAN. This data package contains Jupyter Notebook based workflows for two test cases for running biogeochemical simulations of organic matter oxidation identified by FTICR-MS. It contains four primary folders (workflow, data, src, and analysis), a file-level metadata file (Muller_2024_Lambda_PFLOTRAN_Manuscript_Data_Package_flmd.csv) that lists all the files contained in this data package with a short description of each, and a data dictionary (Muller_2024_Lambda_PFLOTRAN_Manuscript_Data_Package_dd.csv) file that describes the tabular column headers. The ‘workflow’ folder contains the Jupyter Notebook based workflows for running the lambda analysis, PFLOTRAN simulation, sensitivity analysis and parameter estimation. The ‘data’ folder contains the FTICR-MS data, initial conditions, and incubation data for test cases 1 and 2 in folders titled ‘WHONDRS’ and ‘Colloids’, respectively. The data folder also has a ‘Database’ folder containing a reaction network for bulk organic matter (assumed to be CH2O) and a general database for PFLOTRAN (hanford_rxn_network). The CH2O reaction network defines bulk organic matter oxidation. Biogeochemical simulations are completed for both the lambda binned organic matter and bulk organic matter reaction networks. The ‘hanford_rxn_network’ database includes information required for PFLTORAN simulations including ion size, molar mass, and charge of the aqueous species, gases, and minerals phases. The ‘src’ folder contains python source codes for performing lambda analysis, PFLOTRAN simulation, sensitivity analysis and parameter estimation. The ‘analysis’ folder contains outputs from the test cases 1 and 2 including lambda analysis, PFLOTRAN runs and the calibration results.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Analyzing Next-Generation Supply Chains Using the Materials Flows through Industry Tool

The Materials Flows through Industry (MFI) tool is a supply chain modeling tool developed at the National Renewable Energy Laboratory (NREL) with funding from the Department of Energy's Advanced Manufacturing Office. MFI was created to identify and analyze opportunities to reduce the energy and carbon intensities of the U.S. industrial sector (Hanes and Carpenter 2017). In this work, we present an overview of the MFI tool's structure and capabilities, as well as the results of using MFI to analyze a novel NREL-developed process to 'upcycle' PET plastic into higher-value composite materials (Rorrer et al. 2019). This process combines recycled PET (rPET) plastic with inputs that can be derived from biomass, including muconic acid, acrylic acid, and ethylene glycol, to chemically break down the plastic back to its monomers in a process called glycolization. Then, repolymerization and the application of fiberglass yields the valuable glass fiber reinforced plastic (GFRP) composite, a performance material used in the manufacture of wind turbine blades, boat hulls, and other applications. This rPET-derived GFRP was found to have superior strength and fiberglass adhesion compared to conventional GFRP formulations. Our findings indicate that this GFRP production process, were it to be widely commercialized beyond its current lab-scale, could potentially reduce the fossil energy intensity of the GFRP supply chain by between 37% and 58% compared to the conventional method of GFRP manufacture from fossil-derived inputs. We also estimate potential supply chain greenhouse gas (GHG) emissions reductions between 30% and 40% from this process. Scaling these GHG offset estimates up to annual GFRP production in the U.S. would be roughly equivalent to removing between 150,000 and 200,000 vehicles from U.S. roads. These ranges of impact estimates represent the range of differences associated with the various economic allocation methods we have assumed for the intensity contributions from the first life of the PET plastic. Following Shen et al. (2010), we derive economic allocation factors from the current price ratios of clear- and green-colored recycled PET plastic to virgin PET resin ('waste-valuation' approach) or assume them to be zero in a more simplistic allocation ('cutoff' approach). Future work involving the MFI modeling tool will also be discussed, including preliminary results comparing the energy intensity of conventional and bio-based nylons manufacturing. Attendees will also be encouraged to conduct MFI supply chain modeling of their own by requesting a user account on the MFI web application, which is freely available to the public at the following address: https://mfitool.nrel.gov.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Achieving superior carbon transfer efficiency and pH control using membrane carbonation with a wide range of CO 2 contents for the coccolithophore Emiliania huxleyi

The economic viability of microalgal-derived products relies on rapid CO 2 transfer in a cost-effective manner. Many industrial gas streams contain concentrated CO 2 that, if converted to useful products, would lower greenhouse gas emissions and valorize the wasted CO 2 . Membrane carbonation (MC) uses non-porous hollow-fiber gas-transfer membranes to deliver CO 2 without bubble formation, which makes it possible to achieve a high carbon-transfer efficiency (CTE). However, inert gasses in the industrial streams (e.g., N 2 , O 2 , and H 2 O) can significantly lower the CO 2 -delivery rate. The means to overcome the buildup of inert gases in the membrane lumen is to manage the distal end of the membranes to sweep out inert gases while not wasting significant CO 2 . A MC-venting strategy was evaluated for CO 2 inputs from 5% to 100%. Abiotic tests using a restricted exit flow could achieve >95% CTE abiotic for industrial CO 2 streams. When integrated with semi-continuous cultivation of a marine coccolithophore, Emiliania huxleyi , CO 2 delivery and venting were on-demand based on a pH set points and pH-actuated feed and venting valves. MC using the venting strategy achieved 100% CTE biotic when delivering 100% and 50% CO 2 , which was better than 50% CTE biotic obtained from pH-controlled sparging of 100% CO 2 -sparging. E. huxleyi consistently fixed ~80% of the delivered CO 2 into biomass, and the remaining ~20% to calcite coccoliths. Finally, the compact size of MC modules, stable pH control, and no shear forces from bubble agitation during the CO 2 delivery made MC an ideal match for cultivation of coccolithophores, which are sensitive to shear forces and pH fluctuations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1989

Continuous hydroponic wheat production using a recirculating system

Continuous crop production, where plants of various ages are growing simultaneously in a single recirculating nutrient solution, is a possible alternative to batch production in a Controlled Ecological Life Support System. A study was conducted at John F. Kennedy Space Center where 8 trays (0.24 sq m per tray) of Triticum aestivum L. Yecora Rojo were grown simultaneously in a growth chamber at 23 C, 65 percent relative humidity, 1000 ppm CO2, continuous light, with a continuous flow, thin film nutrient delivery system. The same modified Hoagland nutrient solution was recirculated through the plant trays from an 80 L reservoir throughout the study. It was maintained by periodic addition of water and nutrients based on chemical analyses of the solution. The study was conducted for 216 days, during which 24 trays of wheat were consecutively planted (one every 9 days), 16 of which were grown to maturity and harvested. The remaining 8 trays were harvested on day 216. Grain yields averaged 520 g m(exp -2), and had an average edible biomass of 32 percent. Consecutive yields were unaffected by nutrient solution age. It was concluded that continual wheat production will work in this system over an extended period of time. Certain micronutrient deficiencies and toxicities posed problems and must be addressed in future continuous production systems.

Mackowiak, C. L.↗

DOE OSTI2025

Selective Hydrogenation of Furfural Acetone over a Cu Catalyst: Combined Theoretical and Experimental Study

The selective hydrogenation of biomass-derived hydroxymethyl furfural (HMF)-acetone-HMF (HAH) presents an alternative route to producing highly functionalized polyesters and polyurethanes. While HAH undergoes furan ring hydrogenation over Pd, Ru, and Ni catalysts, furan ring hydrogenation is not observed over Cu. Herein, we combine reaction kinetics experiments and density functional theory calculations to elucidate the selective hydrogenation behavior of HAH over Cu catalysts. We identified furfural acetone (FAc) as a suitable surrogate for modeling HAH hydrogenation over Cu surfaces and performed reaction kinetics experiments between temperatures of 313–393 K and a H 2 partial pressure of 55 bar. Similar to the behavior of HAH, hydrogenation of FAc follows a consecutive two-step hydrogenation pathway over Cu and does not undergo furan ring hydrogenation. The apparent activation energy barriers for hydrogenation of the aliphatic double bond (0.58 eV) and carbonyl (0.43 eV) of FAc measured in a continuous flow reactor setup are consistent with those reported in prior studies for batch HAH hydrogenation. Reaction orders with respect to each reactant, including H 2 and FAc, were determined to be nearly one. Density functional theory (DFT; GGA-PBE-D3) calculations on Cu(111) showed that the hydrogenation of the aliphatic double bond of FAc is more facile than the hydrogenation of the furan ring, which displays weak interactions with the Cu surface. We determined an apparent activation energy barrier for FAc hydrogenation (0.58 eV) that agreed with our DFT predictions (highest barrier for FAc hydrogenation of 0.57 eV). Finally, our DFT calculations further show that weak interactions between the furan ring and Cu surface are responsible for the selective hydrogenation behavior.

Biomass↗

DOE OSTI2020

Techno-Economic Analysis and Global Warming Potential of a Novel Offshore Macroalgae Biorefinery

The success of a large scale macroalgae-based biorefinery is dependent on the demonstration of favorable system economics and environmental sustainability. This study uses detailed process modeling to quantify the mass and energy flows through the various unit operations required for a novel free-floating macroalgae biorefinery concept. The modular process model served as the foundation for the techno-economic and global warming potential analyses used to quantify the sustainability of the proposed concept. This work includes detailed techno-economic results for a complete macroalgae cultivation and conversion system with multiple hatchery configurations and several emerging technologies. System optimization was achieved through the evaluation of various technology options for each unit operation. Technologies considered include traditional twine and textile substrate hatchery configurations, drone assisted seeding and biomass transport, mechanized line seeding and harvesting, adhesive spore mixtures that simplify seeding operations and improve hatchery energetics, and hydrothermal liquefaction to produce upgradable biocrude. Outputs from the system include renewable diesel (R100), naphtha, biochar, nitrogen and phosphorus fertilizers, and aqueous/solid waste streams. Three different system pathways were explored, yielding a biomass production cost ranging from $210 to $565 per dry metric ton and a minimum fuel selling price from $1.35 to $2.91 per liter of gasoline equivalent. Stochastic manipulation of the process model and sensitivity analyses support these results. The global warming potential analysis shows net greenhouse gas emissions ranging from 14 to 29 gCO2-eq MJ-1, supported by stochastic and sensitivity analyses. The recommendations from this work highlight critical areas for research and development investment such that a sustainable macroalgae cultivation and conversion system can be realized.

NOMAD seaweed cultivation, techno-economic analysi↗

DOE OSTI2023

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗

DOE OSTI2024

Supporting data for Site-specific Design Case Study for Wet Waste Hydrothermal Liquefaction and Biocrude Upgrading to Hydrocarbon Fuels

Li, Shuyun↗

DOE OSTI2020

Biomass Combustion in a Circulating Fluidized Bed Combustor

Interest in circulating fluidized bed (CFB) boilers as a power generation technology has skyrocketed in recent years because of several advantages this technology offers over conventional boilers, such as increased gas-solid mixing resulting in higher combustion efficiency and the ability to use lower quality fuels. CFB combustors are operated at lower temperatures than conventional thermal power generation combustors, thus reducing NO x emissions. SO 2 emissions are conveniently controlled through the addition of Ca-based sulphur sorbents within the combustor. This report summarizes the current modeling effort on a 50 kW th CFB combustor with a diameter of 10 cm and a height of 5 m; designed, built, and operated at CanmetENERGY in Ottawa, Canada employing the multiphase particle-in-cell (PIC) approach in the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The MFiX-PIC model parameters for the simulation are tuned against cold-flow experiments from CanmetENERGY using 9 kg of olivine sand as the inert bed material. It is shown that for the relatively coarse fluid meshes and large parcel sizes necessitated by the scale of the simulation, filter size dependent corrections to the drag law must be incorporated to ensure accuracy of the simulation results. The validated cold flow model is extended to simulate reacting flow with torrefied hardwood as the feedstock and to validate the combustion reaction scheme. The species concentrations at the riser outlet are compared against CanmetENERGY’s experiments and show satisfactory agreement. The simulations demonstrate the ability of MFiX-PIC to accurately capture the physics and chemistry of a circulating fluidized bed combustor at bench scales, which can be further extended to pilot- and industrial-scale systems.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2021

Computational Fluid Dynamics Modeling to Simulate a Combined Reforming Process for Syngas and Hydrogen Production

An Oxygen Transport Membrane (OTM) combined reforming technology for producing syngas and hydrogen integrates the advantages of multiple processes—steam methane reforming (SMR), autothermal reforming (ATR), an air separation unit (ASU)—into a single integrated technology. The OTM consists of a primary reforming tube, in which desulfurized natural gas is partially reformed by steam at high pressure in the presence of a metal catalyst. This process is followed in series by a ceramic OTM with a secondary reformer, in which residual methane reforms and O 2 - ions react with a portion of the CO and H 2 fuel to provide the heat to support both primary and secondary reforming. Although the OTM combined reformer technology for syngas and H 2 production has been substantially developed in the last decade, several challenges that affect the overall production efficiency and reliability are yet to be fully understood, addressed, and resolved. Therefore, developing Computational Fluid Dynamics (CFD) models that incorporate fluid dynamics, mass transport, kinetics, heat transport, and structural mechanics is critical to understanding and minimizing the probability of tube failures during the startup and operation. In this report, an exhaustive literature review was performed to survey the current state of technology for producing syngas and H 2 using either conventional or renewable energy sources. The feedstocks reviewed include natural gas and coal for the conventional technologies, whereas biomass, solar, wind, and nuclear energy for the renewable technologies. The existing industry-grade COMSOL multiphysics models of OTM were upgraded for the latest software release. In addition, they were improved to help achieve grid and solver independence and were successfully ported on the ORNL high-performance computing clusters to speed up their run times. A 42% reduction in the simulation run time was achieved. A new higher-fidelity CFD model of an OTM tube was developed in the StarCCM+ simulation platform. This new model was designed to simulate various physics using first principles, e.g., turbulent flow, heat transfer, and chemical reactions while avoiding unnecessary simplifications. The resulting predictions were qualitatively assessed and provided useful insights into the multiphysics complexity of an OTM tube.

08 HYDROGEN↗

NASA NTRS1998

Performance of the CELSS Antarctic Analog Project (CAAP) Crop Production System

Regenerative life support systems potentially offer a level of self-sufficiency and a concomitant decrease in logistics and associated costs in support of space exploration and habitation missions. Current state-of-the-art in plant based, regenerative life support requires resources in excess of resource allocations proposed for candidate mission scenarios. Feasibility thresholds have been identified for candidate exploration missions. The goal of this paper is to review recent advances in performance achieved in the CELSS Antarctic Analog Project (CAAP) in light of likely resource constraints. A prototype CAAP crop production chamber has been constructed and operated at the Ames Research Center. The chamber includes a number of unique hardware and software components focused on attempts to increase production efficiency, increase energy efficiency, and control the flow of energy and mass through the system to achieve enhanced performance efficiency. Both single crop, batch production, and continuous cultivation of mixed crops Product ion scenarios have been completed. The crop productivity as well as engineering performance of the chamber will be described. For each scenario, energy required and partitioned for lighting, cooling, pumps, fans, etc. is quantified. Crop production and the resulting lighting efficiency and energy conversion efficiencies are presented. In the mixed-crop scenario, with up to 25 different crops under cultivation, 17 sq m of crop area provided a mean of 515 g edible biomass per day (83% of the approximately 620 g required for one person). Lighting efficiency (moles on photons kWh-1) approached 4 and the conversion efficiency of light energy to biomass was greatly enhanced compared with conventional growing systems. Engineering and biological performance achieved place plant-based life support systems at the threshold of feasibility.

Bubenheim, David L.↗