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DOE OSTI2021

Numerical Simulations of Geologic Storage Reservoir Management to Support Risk Mitigation Evaluation

This report provides a detailed description of a set of numerical simulations that represent reservoir behavior over time in response to different operational decision scenarios for detection of potential leakage and reduction or avoidance of leakage impact at a hypothetical geological carbon storage (GCS) site. These simulations serve as the basis for a series of GCS leakage risk forecasts that are to be developed using the National Risk Assessment Partnership’s Open-Source Integrated Assessment Model (NRAP-Open-IAM), and a demonstration of a simple decision support workflow for evaluation of mitigation strategies based on results of those system model forecasts. This risk assessment and decision support study is forthcoming. Four injection scenarios were considered: a constant rate carbon dioxide (CO 2 ) injection case (base case), a case with CO 2 injection rate adjustment, a case with early termination of injection operations, and a case with brine extraction. CO 2 injection operations were controlled to ensure that the pressure transient remains below the defined manageable reservoir fracture pressure, with consideration shown to hypothetical locations within the modeled spatial domain where the overburden was weaker and lower transient pressure increases were allowable. Additionally, a brine extraction alternative was considered as a reservoir management and risk mitigation option to reduce reservoir pressure, steer the plume away from any hypothetical geohazard such as fault as needed, and enhance storage capacity. Such operational actions contribute to risk management overtime. This study explores the potential utility of reservoir management for risk reduction at GCS sites. This study shows that the injection design may modify the time to CO 2 breakthrough at a legacy well; in particular, these results show that brine extraction can add value for mitigating risk both by delaying leakage and reducing pressure build-up. For the scenario considered, both pressure plots and pressure distributions demonstrate that pressure build-up was decreased by 3% with brine extraction. Additionally, extraction of brine afforded enhancement of CO 2 storage capacity by 5% compared to the base case. These findings suggest that brine extraction has substantial potential to steer the risk-related reservoir effects away from known geohazards (e.g., faults and legacy wells) by conducting pressure transient effects and CO 2 plume movement toward the production well. Injection rate adjustment scenarios considered in this study show potential value for managing both reservoir pressure transients and CO 2 plume behavior. Operational actions for reducing injection and/or early termination of injection (as compared to the base case), however, require careful design; tailoring both the extent and timing of injection rate adjustment over the injection and post-injection operational period must be thoroughly planned to balance maximizing storage and minimizing subsurface environmental risk. The study also gives preliminary consideration to the effectiveness that monitoring strategy may play in providing useful information to inform reservoir management decisions for risk reduction. Two types of monitoring were considered: 1) pressure build-up or pressure transient; and 2) potential leakage detection from a CO 2 mass or plume. Four hypothetical legacy wells, two plugged and two abandoned, were placed in the model domain. Monitoring along these wells was measured over time in individual stacked reservoir formations and shale formations to support risk mitigation decisions, especially operational decisions that assisted in risk reduction. These simulations will serve as the basis for a series of GCS leakage risk forecasts that are to be developed using NRAP’s Open-IAM, and demonstration of a simple decision support workflow for comparative assessment of mitigation alternatives based on results of those system model forecasts. This risk assessment and decision support study is forthcoming.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Modeling Savings for ENERGY STAR Smart Home Energy Management Systems

The objective of this study was to develop a repeatable and defensible methodology to analyze the energy savings for Home Energy Management Systems (HEMS) that meets the minimum requirements for certification under ENERGY STAR ® Smart Home Energy Management System (SHEMS) Version 1. Mandatory connected loads include a smart thermostat, two smart lights, and one smart power strip or smart outlet. Control strategies must include feedback to occupants through an in-home display, user programming, occupancy sensor-based controls, and responsiveness to utility signals such as demand response programs. Several occupant behavior patterns were selected to quantify the range of energy savings potential for a HEMS with this basic functionality. A literature review was conducted to establish realistic room-by-room occupancy levels and usage patterns for connected devices. A series of event-driven hourly profiles were created, followed by adjustments based on application of HEMS control strategies to thermostats, interior lighting, and plug load schedules. EnergyPlus modeling was performed using these hourly schedules in three locations (Boston, Houston, and Phoenix) to examine climate dependence of energy savings. Total site energy savings ranged from 4.3 to 27.1 MBtu/year (7%-35%), and utility bill savings ranged from $\$$123 to $\$$670/year (6%-29%). The highest predicted savings was realized by occupants that were not energy conscious prior to HEMS installation, but highly engaged with the HEMS controls once the system was installed. The smart thermostat accounted for most of the savings, followed by the smart power strip. Smart lighting did not save a significant amount of energy in our analysis, based on an assumption that efficient LEDs with no standby power would normally be installed anyway.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Y-12 Groundwater Protection Program Monitoring Well Inspection and Maintenance Plan

This plan describes the systematic approach for: inspecting the physical condition of monitoring wells at Y-12, determining maintenance needs that extend the life of a well, and identifying those wells that no longer meet acceptable monitoring well design or well construction standards and require plugging and abandonment. The inspection and maintenance of groundwater monitoring wells is one of the primary management strategies of the Y-12 Groundwater Protection Program (GWPP) Management Plan, that is, the “proactive stewardship of the extensive monitoring well network at Y-12" (Consolidated Nuclear Security, L.L.C. [CNS], 2018). Effective stewardship, and a program of routine inspections of the physical condition of each monitoring well, ensures that representative water-quality samples and hydrologic data are obtained from the well network and protects the subsurface environment. In accordance with the Y-12 GWPP Monitoring Optimization Plan (MOP) for Groundwater Monitoring Wells at the Y-12 National Security Complex, Oak Ridge, Tennessee (CNS, 2017), the status designation (active or inactive) for each well determines the scope and extent of well inspections and maintenance activities. This plan, in conjunction with the above document, formalizes the GWPP approach to focus available resources on monitoring wells which provide the most useful data, and for that reason the GWPP inspects and performs maintenance on the wells sampled by the GWPP. This plan applies to groundwater monitoring wells installed at Y-12 and the related waste management facilities located within the three hydrogeologic regimes: (1) the Bear Creek Hydrogeologic Regime (Bear Creek Regime), (2) the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime), and (3) the Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime). The Bear Creek Regime encompasses the section of Bear Creek Valley (BCV) immediately west of Y-12. The East Fork Regime encompasses most of the Y-12 process, operations, and support facilities in BCV west of Scarboro Road. The Chestnut Ridge Regime is directly south of Y-12 and encompasses a section of Chestnut Ridge that is bounded to the west by a surface drainage feature (Dunaway Branch, located immediately west of Industrial Landfill II) and by Scarboro Road to the east. The GWPP maintains an extensive database of geographic and construction details and related information for the monitoring wells in each hydrogeologic regime in the Updated Subsurface Database for Bear Creek Valley, Chestnut Ridge, and Parts of Bethel Valley on the U.S. DOE Oak Ridge Reservation (CNS, 2019). A detailed description of the hydrogeologic framework at Y-12 can be found in the GWPP Management Plan (CNS, 2018).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Keystone Solar Future Project (KSFP)

The Keystone Solar Future Project (KSFP, also referred to as “Keystone Project” in the report) implements a cost-effective, secure, reliable, and safe technology platform that paves the way for future interconnected distributed energy resources (DER), creates a framework that enables high penetration of DER, and transforms the DER interconnection process. The project is important and necessary in a few aspects. First, the industry definition of Distributed Energy Resource Management System (DERMS) is not yet validated against field deployments and mostly implemented in small pilots relying on third party integration. Keystone project implements a direct plug and play communication to inverter based DER systems. Secondly, most interconnection application portal is not yet fully integrated with back-end system, thus lacks the capability to drive a complete and accurate modeling of DER assets into the planning and operational systems. Keystone project rolled out a fully integrated modeling process of DERs from interconnection to operational management. Lastly, customers were given an opportunity to learn about the advanced functions of the inverters and take full advantages of their benefits through participation in the pilot program. During the project, the technical effectiveness and economic feasibility of DER management were investigated and demonstrated in real life events and simulation studies. The project highlighted the importance of coordinated DER interconnection, installation and management with the rest of the distribution system.

14 SOLAR ENERGY↗

DOE OSTI2021

Bryan Mound Abandoned Cavern 3 Stability Analysis - 2021 Review

The U.S. Strategic Petroleum Reserve is moving towards employing an expanded enhanced monitoring program. In doing so it has become apparent that there is a need for a better project wide understanding of the current state of Bryan Mound abandoned Cavern 3 stability. Cavern 3 has been inaccessible since 1988 when it was plugged and abandoned and thus this comprehensive report is structured by focusing on 1) a summarization of what can be discerned from historical records prior to 1988 and 2) a presentation and discussion of our current understanding of Cavern 3 based solely on surface monitoring and geomechanical analyses. Historical literature state the cavern was deemed unsuitable for oil storage, as it could not be definitively determined if fluid pressure could be maintained in the borehole. Current surface monitoring indicates the largest surface subsidence rates are occurring above Cavern 3. The subsidence rates are linear with no evidence of acceleration. Cavern collapse could occur if there is insufficient pressure holding up the roof. Next steps are to implement a microseismic system that will lend to a better understanding of cavern stability, as well as provide an improved early warning system for loss of integrity.

02 PETROLEUM↗

DOE OSTI2021

Considerations for Building the Business Cases for Bidirectional Electric Vehicle Charging

The purpose of this report is to serve as an informative discussion document and to consider perspectives of some key stakeholders that affect commercialization of bi-directional electric vehicles (EVs), charging infrastructure, and other related technologies. In this report, we synthesized information from existing lab studies and a series of industry roundtables, panels, and webinars facilitated by the U.S. Department of Energy’s (DOE’s) Office of Technology Transitions, in collaboration with the DOE’s Vehicles Technology Office and Argonne National Laboratory, aimed at discussing these technologies. This synthesis identifies key issues and considerations that factor into stakeholder perspectives and the business cases for potential stakeholder adoption of bidirectional electric vehicles, charging infrastructure, and other related technologies. Plug-in electric vehicle (PEV) owners, building owners, and grid operators all have the potential to develop business cases for bidirectional PEVs and the associated charging infrastructure. Bidirectionality includes the transfer of electricity or associated grid services from a vehicle to a home, building, grid, or other infrastructure, and vice versa also known as V2X).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Off-Road Vehicle Energy-Saving Potential

The U.S. Department of Energy’s (DOE’s) Vehicle Technology Office (VTO) has played a critical role in enabling electrification and reducing fuel consumption in the automotive sector. However, the off-road vehicle sector accounts for 8% of transportation fuel, and that share is likely to increase over time as onroad vehicles move towards electrification. DOE can again play a key role in the off-road vehicle market by providing tools that can be used by academia and the industry to evaluate the impact of advanced technologies. The need for a pre-competitive simulation tool was also identified during a 2019 DOE-led workshop at Argonne National Laboratory that included OEMs and suppliers to this market. Autonomie, a powerful and robust system simulation tool for vehicle energy consumption and performance analysis, was developed by Argonne National Laboratory in collaboration with General Motors. Its application covers energy consumption and performance analysis throughout the entire vehicle development process by leveraging its plug-and-play powertrain and vehicle model architecture and development environment

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Maximizing Solar and Transportation Synergies

This report considers the technological and market pathways that will enable better use of photovoltaic (PV) electricity as fuel for future transportation demand. Most of the pathways identified will require collaborative research and development (R&D) efforts to improve the capabilities of multiple technologies, including PV, energy storage, vehicles, electrolyzers, electrofuels, and infrastructure. For plug-in electric vehicles (PEVs), technologies that enable wide-scale managed and coordinated charging are among the highest priorities for continued research, development, and deployment in the near term. Furthermore, managed and coordinated charging capabilities are foundational for future vehicle-to-grid (V2G) functionality in the long term. For hydrogen fuel cell electric vehicles (FCEVs), the use of PV electricity for electrolysis provides an opportunity to increase PV deployment. For rail, air, and maritime transportation, the feasibility of increased PV use varies in the near term; opportunities for synergies with solar include the electrification of rail, increased reliability from airport microgrids, and switching from heavy fuel oil to clean maritime electrofuels made from PV-based hydrogen. Over the longer term, battery swap stations for electric airplanes and the co-location of solar with hydrogen fueling stations at shipping ports may enable greater synergies between PV and transportation.

14 SOLAR ENERGY↗

DOE OSTI2021

Yttrium Hydride Post Irradiation Examination Plan

The overarching goal of the Department of Energy Office of Nuclear Energy (DOE-NE) microreactor program is to develop technologies for the deployment of civilian microreactors by stakeholders1. Microreactors are expressed as advanced transportable nuclear reactors operating at low power (<20MWth) but high temperatures (>600°C), as well as plug-and-play and inherently safe designs. One prerequisite of a microreactor is the compactness, so that a truck can transport the reactor under safe conditions with the current road infrastructure1,2. The compactness of these reactors likely can be attainable by use of solid components for the essentials of the nuclear core, such as fuel, core heat removal components, reflectors, and moderators. Among these essentials, where fuel enrichment must remain < 20% to meet High Assay Low Enrichment Uranium criteria (HALEU), the largest contribution to the compactness is offered by use of solid moderators which benefit from light atomic weight elements, such as hydrogen, carbon, and beryllium2. Among these, hydrogen-bearing materials, such as metal hydrides, are superior to other options from the lowest critical mass standpoint. Noting that, factors other than critical mass should be considered for a specific reactor design. Yttrium- or zirconium-based metal hydrides have been down-selected due to their neutronic performance. In addition to the neutronic perspective, maintaining hydrogen within the metal hydride is important at the high operating temperatures proposed by advanced reactors. Yttrium hydride (YHx) is, therefore, a proposed moderator material that offers better hydrogen retention at higher operating temperatures than zirconium hydrides due to higher retention and thermal stability of hydrogen in the metal3. The irradiated materials properties of metal hydrides, in this case YHx, must be assessed for the qualification of these moderators. Material testing and inspection processes must illustrate that the effects of dimensional and property changes on thermophysical and mechanical properties do not cause any significant changes on the microreactor safety, and the moderating power is maintained within design limits. Thus, the effect of irradiation on the thermophysical and mechanical properties must be determined. This post-irradiation examination (PIE) plan specifically aims to determine these properties for YHx following Advanced Test Reactor (ATR) irradiation.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Non-destructive evaluation of specific surface area of porous powder systems using experimental and virtual air permeametry

The correlation of flow-permeable surface area (FSSA) of porous initiator powder to its performance is well-established. More specifically, with age, such powders tend to coarsen (i.e., lose surface area), with an accompanying deterioration in performance. Commercially available permeametry apparatuses, such as that from Fisher Scientific or a more modern version from Micromeritics suffers from a few drawbacks, including: (1) the need to work with a fixed mass equivalent of 1 cm 3 of solid material; (2) the need to re-compact the material to monitor aging effects (which can introduce unwanted errors in the derived results); (3) a superfluous design that involves a reference plug, and for the older Fisher Scientific model, the need to eyeball water meniscus height that can lead to inaccuracies; (4) calibrated and tested only for samples packed in cylindrical geometries.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Tank-Integrated Heat Exchanger for Boil-Off Reduction

The following document details the initial efforts of the Protium Company in developing reduced boil-off and zero boil-off liquid hydrogen tanks using Vapor-Cooled Shielding (VCS) technology. The intention is to improve upon the performance characteristics of traditional vacuum-jacketed dewars by reducing boil-off rate, cooldown time, and total boil-off during cooldown time while integrating the heat exchanger into the wall of the VCS tank. The work carried out during this project was limited, as the grant recipient The Protium Company was acquired by Plug Power Inc. on October 1st 2021, early in the performance period of the grant. As such, the extent of the work completed includes an initial estimation of the dimensions needed for a 0.1%/day boil-off VCS liquid hydrogen tank. These dimensions are derived from data gathered from sizes of previous VCS tanks. The dimensions and estimated boil-off rate for the VCS tank are by no means validated, and no design was generated for a zero boil-off tank.

08 HYDROGEN↗

DOE OSTI2021

Compilation and Evaluation of Data from Groundwater Impounded within the U12n and U12t Tunnels, Rainier and Aqueduct Mesas, Nevada National Security Site

The Department of Defense (DOD) Defense Threat Reduction Agency (DTRA) and the U.S. Department of Energy (DOE) Office of Environmental Management Nevada Program (EM NV) conducted routine physical and geochemical monitoring of water impounded behind impermeable structures placed within the U12n and U12t tunnels on the Nevada National Security Site (NNSS) (formerly the Nevada Test Site [NTS]). Desert Research Institute (DRI) conducted a semiquantitative evaluation of pressure data to determine the extent to which the tunnels have been inundated and a qualitative evaluation of monitored geochemical parameters to determine if trends exist that were indicative of hydrologic and/or geochemical processes operating behind the tunnel plugs. Data were also evaluated to determine if monitored radiological parameters exceeded primary standards associated with the Environmental Protection Agency’s (EPA) Safe Drinking Water Act (SDWA) (40 C.F.R. § 141.66).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Radiation Hardened Foam Cold Test Plan – Phase-I: Foam Adhesion, Contamination Fixation, Moisture Stresses, Pipe Cutting, and Thermal Profile Testing

This document outlines the Phase-I test objectives and implementation plan for a down-selective foam fixative technology intended to facilitate activities in support of the Savannah River Site (SRS) F/H labs deactivation and decommissioning (D&D) efforts. It is a collaborative effort between Savannah River National Laboratory (SRNL), Florida International University (FIU), and the SRS F/H labs team intended to test and evaluate the potential of an intumescent, fire-retardant foam in mitigating the release of contamination during dismantling operations on radioactively contaminated piping in legacy facilities. The cold test plan addresses specific requirements highlighted by site and safety personnel and will be executed in FIU’s Outdoor Test and Evaluation Facility using a mock-up that replicates the operational conditions at the proposed hot test location at F/H labs. Results from the cold test plan will inform the hot test at F/H labs, which will use the foam fixative to confine and/or isolate residual contamination within a 3-dimensional void space of Hastelloy C-22 piping designated for removal from the site and transported to a proper disposal facility. Phase-I testing will address eight test objectives: (1) evaluation of the adhesion and bonding properties of foam fixative in piping, (2) evaluation of the adhesion of the foam fixative in piping under varying moisture conditions, (3) determination of the heat profile of the foam fixative during curing, (4) determination of the relationship between pipe diameter and foam fixative quantity, (5) determination of the internal pipe pressure after foam deployment and curing, (6) development of a leak test standard operating procedure to test for the effectiveness of the foam plug, (7) initiation of a literature review to determine if using a hot tap is a viable method to deliver foam into piping, and (8) initiation of a 10-foot mock up test that will be used in Phase-II cold testing. The cold test will be conducted at FIU and all testing activities will comply with SRNL Conduct of R&D Protocols (SRNL-IM-2020-00019).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Cross Section Generation Capability in Griffin

The Griffin code is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. The code includes a variety of steady-state solvers for fixed-source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. The code reads multigroup cross sections in the ISOXML format generated from external deterministic or Monte Carlo cross section generation codes. The implementation of the cross section generation capability in Griffin was initiated last year by plugging in the cross section application programming interface (CSAPI) and reviewing the methodologies for treating particulate fuels. The focus this year was on improving the CSAPI integration and implementing advanced self-shielding methods for applications to advanced reactor problems with TRISO fuels. First, the process for cross section library generation was updated to accurately and rigorously produce isotopic cross section data. Second, the equivalent Dancoff factor cell method performing slowing down calculations on the fly for the resonance treatment was implemented in CSAPI to improve the accuracy of effective multigroup cross sections in the resonance energy range. Third, the iterative local spatial self-shielding method was implemented under the calculation framework of the equivalent Dancoff factor cell method to accurately deal with the double heterogeneity effect of particulate fuel. The updated CSAPI with the advanced self-shielding methods, together with the cross section libraries generated based on the improved process, were tested for pin-cell, unit-cell, and fuel assembly problems with various resonance self-shielding conditions based on very high temperature reactor, high temperature test reactor, and Empire benchmark cores, indicating that the updated CSAPI in Griffin is able to produce multigroup cross sections accurately and efficiently. We also showed that the methodology worked well for pebble bed fuel from HTR-10, but the capability still needs to be fully integrated into CSAPI. In the future, further benchmark tests will be performed for various thermal reactor core problems, including particulate fuel-based pebble bed reactors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

ERAS: Enabling the Integration of Real-World Intellectual Properties (IPs) in Architectural Simulators

Sandia National Laboratories is investigating scalable architectural simulation capabilities with a focus on simulating and evaluating highly scalable supercomputers for high performance computing applications. There is a growing demand for RTL model integration to provide the capability to simulate customized node architectures and heterogeneous systems. This report describes the first steps integrating the ESSENTial Signal Simulation Enabled by Netlist Transforms (ESSENT) tool with the Structural Simulation Toolkit (SST). ESSENT can emit C++ models from models written in FIRRTL to automatically generate components. The integration workflow will automatically generate the SST component and necessary interfaces to ’plug’ the ESSENT model into the SST framework.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Wabash CarbonSAFE Static and Dynamic Modeling: Task 9.0 (Technical Report)

The objective of the Wabash CarbonSAFE project’s static and dynamic modeling task is to assess the feasibility of storing 50 million tonnes (1.67 million metric tonnes annually; MMTA) of industrially-sourced carbon dioxide (CO 2 ) in a commercial-scale geological storage complex at Wabash Valley Resources LLC (WVR) gasification facility near Terre Haute, Indiana over a period of 30 years. The targeted formations for storing CO 2 are: 1) Mt. Simon Sandstone (MSS) and the 2) Potosi Dolomite (Knox Group). All of the available data from the recently drilled Wabash #1 stratigraphic test well (now plugged and abandoned) were used in the construction of both the static and dynamic models. Geologic models were constructed to characterize both the Mt. Simon Sandstone and Potosi Dolomite storage complexes. Dynamic simulation models were constructed and used to assess the feasibility of injecting CO 2 into the Mt. Simon and Potosi formations. The geocellular models for the Potosi Dolomite and Mt. Simon Sandstone were built using Petrel™, Schlumberger’s reservoir modeling software. The dynamic simulations were run using Landmark’s Nexus ® reservoir simulation software.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Cooperative Research and Development Agreement between National Energy Technology Laboratory and VariGrid Explorations Inc. [Final Report]

The scope of this project is to advance the National Energy Technology Laboratory’s (NETL) Variable Grid Method (VGM) technology to commercial status thought enhancements upon prior work to produce a VGM application that can rapidly quantify multiple types of data and uncertainty commonly encountered by the subsurface energy industry. Along with development, the project will also include technology demonstrations, through applications using common industry data types and uncertainty metrics, to stress the value the VGM can offer the subsurface energy industry by providing an improved understanding of the strengths and limitations of their data, models, and analytical results. The resulting commercially ready VGM will offer interoperability with common industry software applications to ensure broad ‘plug and play’ functionality that will help keep costs relatively low and foster more rapid industry adoption.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

An Open-Source Framework for the Computational Analysis and Design of Autothermal Chemical Processes

The main project object was to develop software tools for simulating non-equilibrium autothermal processes, improving the prospects for identifying and designing such systems. The project demonstrates the use of these tools to simulate autothermal pyrolysis, a process recently developed at the pilot-plant scale at Iowa State University. In such process, instead of externally heating a reactor to pro-vide the enthalpy of pyrolysis, sufficient oxygen in the form of air is introduced into the reactor to support partial oxidation of reactants and products with the exothermic energy released supporting endothermic pyrolysis reactions. A fluidized bed is used to assure good mixing of biomass and oxidant and provide an isothermal reaction environment. The amount of oxygen required depends upon the kind of biomass being pyrolyzed and parasitic heat losses from the reactor. For example, for woody biomass pyrolyzed under conditions that simulate adiabatic operation, equivalence ratios can be as low as 0.06, compared to 0.20 or higher for autothermal gasifiers. By removing the heat transfer bottleneck of conventional pyrolysis, operation in autothermal mode allowed a significant increase in reactor throughput process, approaching five times the throughput of the conventionally operated pyrolyzer. Different simulation strategies were considered and developed: a zero-dimensional chemistry model was used to verify the applicability of kinetic schemes to predict biomass fast pyrolysis in autothermal conditions. Conventional chemical reactor models such as the plug flow reactor and the partially stirred reactor were used to investigate the role of mixing in the fluidized bed pyrolyzer and to establish the impact of mixing time on the gas-phase reactions. A comprehensive multiphase computational fluid dynamics (mCFD) framework, including polydisperse granular phase modeling and detailed chemical kinetics was formulated and used to model the experimental setup for autothermal biomass fast pyrolysis at ISU. Multiphase CFD was also used to investigate the role of biomass feed positioning on the mixing of biomass in the pyrolizer. Finally, a reduced order model (ROM), suitable to be implemented in process simulators was obtained. Both the mCFD and the ROM were validated against experiments.

09 BIOMASS FUELS↗