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DOE OSTI2020

Safety-Related Instrumentation and Control Pilot Upgrade (Initial Scoping Phase Implementation Report)

This research report (1) describes the process followed and products developed during the SR I&C Pilot Project Initial Scoping Phase, and (2) captures lessons learned. Exelon Generation and LWRS collaborated to develop a Digital Transformation Strategy as part of a larger Advanced Concept of Operations. The proposed SR I&C Pilot Upgrade provides a foundation stone for this Digital Transformation that will improve plant safety, reliability, and operational performance while lowering plant Total Cost of Ownership (TCO). Initial Scoping Phase activities for this Pilot Project have been performed in accordance with industry processes that have been adapted to better support digital upgrades. These processes include IP-ENG-001, Standard Design Process (SDP), NISP-EN-04, Standard Digital Engineering Process (SDEP), and Electric Power Research Institute (EPRI) Report 3002011816, Digital Engineering Guide (DEG). Completing Initial Scoping Phase Engineering and Operations, Licensing, and Project Management Activities was necessary to sufficiently bound the scope, schedule, and estimated cost of the Project to enable utility management to authorize moving into the Conceptual Design Phase. A significant finding of the Business Case Analysis (BCA) methodology developed and applied as part of this effort was that the growth rate of material costs for sustaining the operation of obsolete SR I&C equipment is accelerating. This directly contributed to the Project Economic Analysis created to justify continuing the Project. Project Initial Scoping Phase lessons learned have also been captured to assist the larger industry in understanding the Digital Transformation Strategy and SR I&C Pilot Project Initial Scoping Phase efforts. This is in keeping with the public/private partnership that has been established between the Department of Energy (DOE) and Exelon for this effort with engagement from the NRC. By addressing first-of-a-kind (FOAK) risks and capturing lessons learned, the SR I&C Pilot Upgrade Project addresses technical, regulatory, and business risks to enable subsequent implementers of similar upgrade.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

KIVA-hpFE. Predictive turbulent reactive and multiphase flow in engines - An Overview

Research and development of KIVA-hpFE for turbulent reactive and multiphase flow particularly as related to engine modeling program has relevance to National energy security and climate change. Climate change is a source problem, and energy national security is consumption of petroleum products problem. Accurately predicting engine processes leads to, lower greenhouse gas (GHG) emission, where engines in the transportation sector currently account for 26% of the U.S. GHG emissions. Less dependence on petroleum products leads to greater energy security. By Environmental Protection Agency standards, some vehicles are now reaching 42 to the 50 mpg mark. These are conventional gasoline engines. Continued investment and research into new technical innovations, the potential exists to save more than 4 million barrels of oil per day or approximately $200 to $400 million per day. This would be a significant decrease in emission and use of petroleum and a very large economic stimulus too! It is estimated with further advancements in combustion, the current emissions can be reduced up to 40%. Enabling better understanding of fuel injection and fuel-air mixing, thermodynamic combustion losses, and combustion/emission formation processes enhances our ability to help solve both problems. To provide adequate capability for accurately simulating these processes, minimize time and labor for development of engine technology, are the goals of our KIVA development program.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2017

KIVA-hpFE: Predictive turublent reactive and multiphase flow in engines : Science Supporting Mission of the Laboratory

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Increasing the Rate and Extent of Microbial Coal to Methane Conversion through Optimization of Microbial Activity, Thermodynamics, and Reactive Transport (Final Scientific/Technical Report)

Currently, coal bed methane (CBM) wells have a limited lifetime since the rate of methane removal via the installed wells is much faster than the in situ methane production rates. Along with water issues created by large amounts of CBM production water, the short life span of CBM wells is a huge deterrent to the environmental and economic feasibility of CBM production. The process of biogenic methanogenesis can be enhanced via the stimulation of the associated microbial communities that can convert the organic fractions of coal to methane. This process is termed Microbially-Enhanced Coal Bed Methane (MECBM). However, the rates of methane production are still limited and long incubation times are necessary. We hypothesized that the elucidation of chemical and biological parameters that limited MECBM together with thermodynamic considerations would inform strategies to optimize the process under flow conditions. We incorporated microbiological, physicochemical, and engineering processes to develop a more sustainable CBM production scheme with native coal and native microorganisms. The proposed combination of microbial ecology and physiology as well as optimized engineering principles minimized key constraints that impact microbial coal conversion to methane under environmentally relevant conditions. The combined approach for bench-scale tests resulted in more effective and less environmentally burdensome coal-dependent methane production with the potential for H 2 O and CO 2 management.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Safety-Related Instrumentation & Control Pilot Upgrade Initiation Phase Implementation Report

This research report (1) describes the process followed and products developed during the SR I&C Pilot Project Initial Scoping Phase, and (2) captures lessons learned. Exelon Generation and LWRS collaborated to develop a Digital Transformation Strategy as part of a larger Advanced Concept of Operations. The proposed SR I&C Pilot Upgrade provides a foundation stone for this Digital Transformation that will improve plant safety, reliability, and operational performance while lowering plant Total Cost of Ownership (TCO). Initial Scoping Phase activities for this Pilot Project have been performed in accordance with industry processes that have been adapted to better support digital upgrades. These processes include IP-ENG-001, Standard Design Process (SDP) [Reference 2], NISP-EN-04, Standard Digital Engineering Process (SDEP) [Reference 3], and Electric Power Research Institute (EPRI) Report 3002011816, Digital Engineering Guide (DEG). Completing Initial Scoping Phase Engineering and Operations, Licensing, and Project Management Activities was necessary to sufficiently bound the scope, schedule, and estimated cost of the Project to enable utility management to authorize moving into the Conceptual Design Phase. A significant finding of the Business Case Analysis (BCA) methodology developed and applied as part of this effort was that the growth rate of material costs for sustaining the operation of obsolete SR I&C equipment is accelerating. This directly contributed to the Project Economic Analysis created to justify continuing the Project. Project Initial Scoping Phase lessons learned have also been captured to assist the larger industry in understanding the Digital Transformation Strategy and SR I&C Pilot Project Initial Scoping Phase efforts. This is in keeping with the public/private partnership that has been established between the Department of Energy (DOE) and Exelon for this effort with engagement from the NRC. By addressing first-of-a-kind (FOAK) risks and capturing lessons learned, the SR I&C Pilot Upgrade Project addresses technical, regulatory, and business risks to enable subsequent implementers of similar upgrades.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

How to Decarbonize Our Energy Systems: Process‐Informed Design of New Materials for Carbon Capture

Decarbonisation from a variety of industrial and power emission sectors highlights a marked need for capture technologies that can be optimized for different CO 2 sources and integrated into an equally diverse range of applications of captured CO 2 as a feedstock. Some capture technologies are already operated at an industrial scale but may not be optimal for all required applications. Advanced tailored sorbent-based technologies allow flexible operation and reduced costs as they offer higher capture capacities and significantly lower energy penalties than the state-of-the-art systems. To accelerate the discovery, development, and deployment of novel advanced materials, it is critically important that efforts between experimentalists, theoreticians, and process engineers are coordinated. The PrISMa project addresses this challenge by integrating materials design with process design and environmental considerations to allow for tailor-making carbon capture solutions optimally tuned for local sources and sinks. In this article, we highlight some of the recent results obtained with the PrISMa platform.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Management of the Cs/Sr Capsule Project at the Hanford Site. Technology Readiness Assessment Report

The Federal Project Director (FPD) for the U.S. Department of Energy (DOE), Richland Operations Office (RL) Waste Management and D&D Division (WMD) requested a Technology Readiness Assessment (TRA) for the Management of the Cesium/Strontium Capsule Storage Project (MCSCP) at the Waste Encapsulation and Storage Facility (WESF) on the Hanford Site in Washington State. The MCSCP CD-1 TRA was performed by a team selected in collaboration between the Office of Environmental Management (EM) Chief Engineer (EM-3.3) and RL, WMD FPD. The TRA Team included subject matter and technical experts having experience in cask storage, process engineering, and system design who were independent of the MCSCP, and the team was led by the Director of Operations and Processes from the EM Chief Engineer's Office (EM-3.32). Movement of the Cs/Sr capsules to dry storage, based on information from the conceptual design, involves (1) capsule packaging, (2) capsule transfer, and (3) capsule storage. The project has developed a conceptual process, described in 30059-R-02, "NAC Conceptual Design Report for the Management of the Cesium and Strontium Capsules Project", which identifies the five major activities in the process to complete the transfer from storage pool to pad-mounted cask storage. The process, shown schematically in Figure 1, is comprised of the following process steps: (1) loading capsules into the UCS; (2) UCS processing; (3) UCS insertion into the TSC Basket; (4) cask transport from WESF to CSA and (5) extended storage at the CSA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Modelling I and C systems with relays for simulation, adapting CIM standards - 243

As the nuclear power plants are in operation for many years, a main issue is to integrate simulation activities in parallel to the present I and C design process in order to limit impacts on current operating I and C engineering process and commissioning activities. The objective is to keep the existing I and C data and diagrams format. EDF chose to build an intermediate file independent of the tool used for simulation to exchange and store data. This file has been created adapting CIM standards (IEC 61968-13 and IEC 61970-301). It is an XML file built according to an RDF schema. CIM standards are intended to model transport or distribution electrical networks and used to facilitate system integration and information exchanges. We chose to adapt CIM to model EDF electromechanical relay circuitries in order to re-use all methods and tools developed around CIM standards such as RDF schema and RiseClipse, an open source tool developed by EDF and SUPELEC engineering school that will be used to verify exported I and C data according to a data model and to EDF engineering rules. This paper will describe the ongoing project on simulation in parallel to current I and C design process, focusing on how I and C electromechanical relays data are modelled based on CIM standards, and what benefits that model provides to I and C Verification and Validation activities. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Process intensification education contributes to sustainable development goals. Part 1

In 2015 all the United Nations (UN) member states adopted 17 sustainable development goals (UN-SDG) as part of the 2030 Agenda, which is a 15-year plan to meet ambitious targets to eradicate poverty, protect the environment, and improve the quality of life around the world. Although the global community has progressed, the pace of implementation must accelerate to reach the UN-SDG time-line. For this to happen, professionals, institutions, companies, governments and the general public must become cognizant of the challenges that our world faces and the potential technological solutions at hand, including those provided by chemical engineering. Process intensification (PI) is a recent engineering approach with demonstrated potential to significantly improve process efficiency and safety while reducing cost. It offers opportunities for attaining the UN-SDG goals in a cost-effective and timely manner. However, the pedagogical tools to educate undergraduate, graduate students, and professionals active in the field of PI lack clarity and focus. This paper sets out the state-of-the-art, main discussion points and guidelines for enhanced PI teaching, deliberated by experts in PI with either an academic or industrial background, as well as representatives from government and specialists in pedagogy gathered at the Lorentz Center (Leiden, The Netherlands) in June 2019 with the aim of uniting the efforts on education in PI and produce guidelines. In this Part 1, we discuss the societal and industrial needs for an educational strategy in the framework of PI. The terminology and background information on PI, as it relates to educational implementation in industry and academia, are provided as a preamble to Part 2, which presents practical examples that will help educating on Process Intensification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Multi-process tooling for discontinuous carbon and hybrid glass fiber thermoplastics

Expensive tooling often constraints the use of composites in the design and development of automotive parts. While there is significant confidence and knowledge in sheet and bulk metals, composite processes are less understood in mass production environment. The processes used to produce composites and resulting properties are influenced by fiber length attrition, resin to fiber ratio, process waste etc. Tool designs are determined very early in the engineering process. It is cost prohibitive to build additional tools, in the event it becomes obvious a better processing method and material would be beneficial, the original decision is not easily changed. In the present work we recognize the bottleneck of tooling costs and provide an approach of multi-process tooling. The innovation of this work is the design and demonstration of a single tool for different processes namely injection, injection-compression and extrusion-compression. The materials used in this study were long and short fiber thermoplastics (LFTs and SFTs). The resulting structure-property relationships have been reported for the materials and processing methods with a battery tray (BT) tool.

Vaidya, Uday↗

DOE OSTI2024

FENIX: Towards a Fully Integrated Multiphysics Framework for Plasma Facing Component Modeling

Computational tools have a crucial role to play in accelerating the deployment of fusion as a clean, reliable, abundant, and sustainable energy source. Multiphysics, high-fidelity simulation capabilities can help model, study, and predict intricate interactions between materials performance, plasma exposure, neutron irradiation, and engineering processes. As such, they can assist in the resolution of scientific and engineering challenges underpinning design, construction, and commission of fusion power plants. To address these needs, ongoing efforts are leveraging the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework and delivering new computational tools for the fusion community. These tools inherit crucial attributes from MOOSE. They are open-source, modular, integrated with nuclear industry-standard software quality assurance processes, and enable multiphysics, multi-fidelity, fully integrated, zero- to three-dimensional, and massively parallel simulations. After a short overview of these capabilities, we will present the development of Fusion ENergy Integrated multiphys-X (FENIX), a MOOSE-based application designed to enable plasma facing component design and performance evaluation. Throughout their lifetime, plasma facing components are exposed to extreme thermal loads, repeated thermal shocks, and irradiation by plasma ions, neutral particles, and high-energy neutrons. Consequently, designing a plasma facing component with acceptable lifetime degradation is extremely challenging. FENIX aims to model the multiphysics environment in which plasma facing components evolve to accelerate their design studies. To that end, FENIX couples existing MOOSE capabilities such as heat transfer, thermomechanics, and thermal hydraulics, with tritium transport via the MOOSE-based Tritium Migration Analysis Program, Version 8 (TMAP8), with neutronics via the MOOSE-based high-fidelity neutron-photon transport and fluid dynamics code Cardinal, and finally with Particle-in-Cell plasma simulation capabilities being developed in this project. In this study, we present the current FENIX capabilities and preliminary results of its application to model the Tritium Plasma Experiment set up at Idaho National Laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Semiconductor nanocrystal quantum dot synthesis approaches towards large-scale industrial production for energy applications

This study reviews the experimental synthesis and engineering developments that focused on various green approaches and large-scale process production routes for quantum dots. Fundamental process engineering principles were illustrated. In relation to the small-scale hot injection method, our discussions focus on the non-injection route that could be scaled up with engineering stir-tank reactors. In addition, applications that demand to utilize quantum dots as "commodity" chemicals are discussed, including solar cells and solid-state lightings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Thermochemical Conversion of Woody Biomass to Fuels and Chemicals Final Report

Maine and its industries identified more efficient utilization of biomass as a critical economic development issue. In Phase I of this implementation project, a research team was assembled, research equipment was implemented and expertise was demonstrated in pyrolysis, hydrodeoxygenation of pyrolysis oils, catalyst synthesis and characterization, and reaction engineering. Phase II built upon the infrastructure to innovate reaction pathways and process engineering, and integrate new approaches for fuels and chemical production within pulp and paper and other industries within the state. This research cluster brought together chemists, engineers, physicists and students from the University of Maine, Bates College, and Bowdoin College. The project developed collaborations with Oak Ridge National Laboratory and Brookhaven National Laboratory. The specific research projects within this proposal were of critical interest to the DoE - in particular the biomass program within EERE and the catalysis/chemical transformations program within BES. Scientific and Technical Merit highlights of this project included: (1) synthesis and physical characterization of novel size-selective catalyst/supports using engineered mesoporous (1-10 nm diameter pores) materials, (2) advances in fundamental knowledge of novel support/ metal catalyst systems tailored for pyrolysis oil upgrading, (3) a microcalorimetric sensing technique, (4) improved methods for pyrolysis oil characterization, (5) production and characterization of woody biomass-derived pyrolysis oils, (6) development of two new patented bio oil pathways: thermal deoxygenation (TDO) and formate assisted pyrolysis (FASP), and (7) technoeconomics of pyrolysis of Maine forest biomass. This research cluster has provided fundamental knowledge to enable and assess pathways to thermally convert biomass to hydrocarbon fuels and chemicals.

09 BIOMASS FUELS↗

DOE OSTI2014

Bench-Scale Development of a Hot Carbonate Absorption Process with Crystallization-Enabled High-Pressure Stripping for Post-Combustion CO 2 Capture (Final Scientific/Technical Report)

A novel Hot Carbonate Absorption Process with Crystallization-Enabled High-Pressure Stripping (Hot-CAP) has been developed by the University of Illinois at Urbana-Champaign and Carbon Capture Scientific, LLC in this three-year, bench-scale project. The Hot-CAP features a concentrated carbonate solution (e.g., K 2 CO 3 ) for CO 2 absorption and a bicarbonate slurry (e.g., KHCO 3 ) for high-pressure CO 2 stripping to overcome the energy use and other disadvantages associated with the benchmark monoethanolamine (MEA) process. The project was aimed at performing laboratory- and bench-scale experiments to prove its technical feasibility and generate process engineering and scale-up data, and conducting a techno-economic analysis (TEA) to demonstrate its energy use and cost competitiveness over MEA. To meet project goals and objectives, a combination of experimental, modeling, process simulation, and economic analysis studies were applied. Carefully designed and intensive experiments were conducted to measure thermodynamic and reaction engineering data relevant to four major unit operations in the Hot-CAP (i.e., CO 2 absorption, CO 2 stripping, bicarbonate crystallization, and sulfate reclamation). The rate promoters that could accelerate the CO 2 absorption rate into the potassium carbonate/bicarbonate (PCB) solution to a level greater than that into the 5 M MEA solution were identified, and the superior performance of CO 2 absorption into PCB was demonstrated in a bench-scale packed-bed column. Kinetic data on bicarbonate crystallization were developed and applied for crystallizer design and sizing. Parametric testing of high-pressure CO 2 stripping with concentrated bicarbonate-dominant slurries at high temperatures (≥140°C) in a bench-scale stripping column demonstrated lower heat use than with MEA. The feasibility of a modified process for combining SO 2 removal with CO 2 capture was preliminarily demonstrated. In addition to the experimental studies, the technical challenges pertinent to fouling of slurry-handling equipment and the design of the crystallizer and stripper were addressed through consultation with vendors and engineering analyses. A process flow diagram of the Hot-CAP was then developed and a TEA was performed to compare the energy use and cost performance of a nominal 550-MWe subcritical pulverized coal (PC)-fired power plant without CO 2 capture (DOE/NETL Case 9) with the benchmark MEA-based post-combustion CO 2 capture (PCC; DOE/NETL Case 10) and the Hot-CAP-based PCC. The results revealed that the net power produced in the PC + Hot-CAP is 609 MWe, greater than the PC + MEA (550 MWe). The 20-year levelized cost of electricity (LCOE) for the PC + Hot-CAP, including CO 2 transportation and storage, is 120.3 mills/kWh, a 60% increase over the base PC plant without CO 2 capture. The LCOE increase for the Hot-CAP is 29% lower than that for MEA. TEA results demonstrated that the Hot-CAP is energy-efficient and cost-effective compared with the benchmark MEA process.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Cyber-Informed Engineering Validation Methods and Guidance

Validation is an important step in any systems engineering process to ensure the correct system was made to fulfill stakeholders’ needs, goals, and expectations. In the context of Cyber-Informed Engineering (CIE), validation ensures cyber impact is reduced through implemented design choices and CIE requirements. This document details a process in validating CIE-based design choices relative to their effectiveness at mitigating high consequence events. The document includes a case study to illustrate the CIE validation process. The case study explores the implementation of CIE validation within the engineering lifecycle of a chemical mixing plant.

42 ENGINEERING↗

DOE OSTI2026

Polymer Deconstruction and Redesign Strategies for Plastics Recycling

Advancing plastics recycling requires both the selective deconstruction of existing polymers and the design of new materials that enable efficient reuse without loss of performance. This perspective highlights an integrated approach that is rooted in polymer chemistry, catalysis, and process engineering which can enable a circular plastics economy. Here, we outline recent advances in catalytic, solvolytic, and enzymatic pathways for plastic deconstruction, and examine the molecular design principles driving next-generation recyclable-by-design and bio-based polymers. Despite these advances, major knowledge gaps remain in understanding the evolution of polymer morphology and catalyst structure during deconstruction, assessing deconstruction processes with realistic polymers, and offering redesigned polymers with competitive cost and environmental advantage over conventional plastics. United States Department of Energy (U.S. DOE) national laboratories offer unique capabilities to address these challenges through in situ and operando characterization, high-throughput experimentation, environmental studies, technoeconomic and life cycle assessment, scale-up support, and collaboration networks. Advances made in understanding plastic deconstruction mechanisms and structure-property correlations of redesigned polymers inform emerging research directions including autonomous experimentation, real-time feedback-enabled process optimization, and protein engineering for enzymatic depolymerization.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Comparison of modular analytical wake models to the Lillgrund wind plant

Efficient and accurate wake models are required for wind plant performance modeling and the suite of engineering processes that support wind plant layout, control, and monitoring. Although many analytical and engineering wake models with low computational costs have been proposed, their ability to represent the power production of large wind plants in a wide range of atmospheric conditions is not completely understood. The following validation study reviews the underlying theory for analytical wake models, outlines quality control procedures for observational data, and compares model results with observational data from the Lillgrund Wind Plant. Lillgrund makes a valuable case study for wake modeling because of its regular arrangement and the relatively close spacing of constituent wind turbines, which lead to regular and significant wake interactions within the wind plant and the development of deep array flow conditions. Formulations for the velocity deficit, wake-added turbulence, and wake superposition methods are considered in a modular sense, yielding many possible configurations to represent wind turbine wakes, of which seven are examined in detail. Velocity deficit models that account for flow conditions in the near wake are better able to reproduce power production for wind turbines in the transitional region of the wind plant, where wind turbines experience as many as five wakes from upstream turbines. Finally, in the deep array, where power production reaches asymptotic values and wake statistics become quasi-periodic, wake superposition schemes become the largest driver in error reduction; using the linear or maximum wake superposition methods can reduce the relative root mean square error by as much as 40% in the deep array.

17 WIND ENERGY↗

DOE OSTI2015

Cultural Perspectives of the 2015 Nonlinear Mechanics and Dynamics Summer Research Institute

This paper discusses the results of a study to determine the impact of culture on engineering. The study took place during the 2015 Nonlinear Mechanics and Dynamics Summer Research Institute, a six-week research program sponsored by Sandia National Laboratories and the University of New Mexico consisting of 24 graduate students participating in seven different projects. Twenty-two of the participants and two of the mentors were interviewed to study the effects of cultural background on engineering processes and interactions. The results of this study indicate that cultural differences drive engineering practices.

42 ENGINEERING↗