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Requirements to Design Agencies provided primarily via Facility Design Description and System Design Descriptions for 226-F Facility and Task Requirements & Criteria (TR&C) Document for HFTOC.
The modeling approach for process design is illustrated in this paper by the work done to qualify the PAREX code to design the flow sheet of a uranium/plutonium splitting operation in a pulsed column. The different flow sheet experimentations are presented along with the simulation results. The qualified code has been successfully used to design the flow sheet of this operation in the first purification cycle of UP2-800 plant at La Hague. (authors)
Design and operation decisions of manufacturing plants can often be expressed within a hierarchical structure, where optimal decisions at lower operating level provide constraints for the decision raking at a higher decision level. In this work, we are addressing the case of a hierarchical design and scheduling optimization problem. The integration of design and scheduling decisions can play a big role in designing economically profitable plants and improving their operational performance. This problem can be expressed as a bi-level problem, where design related decisions occur at the upper level and operational scheduling decisions at the lower level. Since discrete decisions are involved in both optimization levels, the resulting formulation typically corresponds to bi-level mixed-integer programming problems (B-MIP). The solution of B-MIP problems is very challenging, and typically requires the use of global optimization techniques, with many algorithms not able to guarantee feasibility. To overcome the challenges in solving this class of problems we propose the use of a multi-parametric based algorithm for the solution of bi-level mixed-integer linear and quadratic programming problems, capable of providing the exact and global solution. The main idea of this approach is to treat the lower scheduling problem as a multi-parametric programming problem in which the design decisions are considered as parameters. Here, the resulting parametric solutions can then be substituted into the upper level design problem, which can be solved as a set of single-level deterministic programming problems. Through the developed formulation and algorithm we are able to supply the decision makers with the exact solution of the integrated design and scheduling problem.
This project objective was to develop and demonstrate a lithium-sulfur (Li-S) battery in a pouch-format cell capable of achieving an energy density ≥ 500 Wh/kg while achieving a 1,000 cycle life. The research focused on cell optimization and fabrication addressing different technical barriers and challenges including: 1) thin lithium anode optimization; 2) current collector and tab attachment design; 3) cathode porosity control; 4) electrolyte to sulfur ratio control; 5) cell design; and 6) cell fabrication. The project developed and demonstrated various technologies to address these technical barriers and challenges. The project demonstrated a thin lithium anode by vapor deposition, a collector design and validation of laser welding of tab attachment method, a cathode porosity control strategy by binder optimization, a calendaring process control and surface/interface treatment, and an electrolyte to sulfur ratio control with influence on cell energy density. The sulfur cathode was optimized by tuning the formulation, optimizing the calendaring process, and introducing a novel electrode fabrication process. To address the electrolyte performance issue, the electrolyte optimization was achieved with additive and formulation tuning and the introduction of a dual-phase electrolyte system. In addition to the demonstration of the optimized electrode with a novel fast-curing coating process and dual-phase electrolyte, a coating separator was further developed to address the polysulfide shuttling issue. The resulting new cell design with these optimized cell components was demonstrated in the 1 Ah pouch cell with medium sulfur loading and moderate porosity (~ 4.5 mAh cm-2, 65% porosity) and showed an energy density of > 400 Wh/kg (with E/S ratio of 2.8). The Li-SPAN cell configuration was also evaluated in combination with a new dual-phase electrolyte system. Initial coin cell performance demonstrated cycle stability of >300 cycles with an estimated energy density of 300 Wh/kg at the pouch format level. The corresponding 1 Ah pouch format SPAN cells with the new polymer electrolyte were developed which has shown a stable capacity at 800-900 mAh for ~40 cycles so far.
Abstract Decarbonization is essential to meeting urgent climate goals. With the building sector in the United States accounting for 35% of total U.S. carbon emissions, reducing environmental impacts within the built environment is critical. Whole-building life cycle analysis (WBLCA) quantifies the impacts of a building throughout its life cycle. Despite being a powerful tool, WBLCA is not standard practice in the integrated design process. When WBLCA is used, it is typically either speculative and based on early design information or conducted only after design completion as an accounting measure, with virtually no opportunity to impact the actual design. This work proposes a workflow for fully incorporating WBLCA into the building design process in an iterative, recursive manner, where design decisions impact the WBLCA, which in turn informs future design decisions. We use the example of a negative-operational carbon modular building seeking negative upfront embodied carbon using bio-based materials for carbon sequestration as a case study for demonstrating the utility of the framework. Key contributions of this work include a framework of computational processes for conducting iterative WBLCA, using a combination of an existing building WBLCA tool (Tally) within the building information modeling superstructure (Revit) and a custom script (in R) for materials, life cycle stages, and workflows not available in the WBLCA tool. Additionally, we provide strategies for harmonizing the environmental impacts of novel materials or processes from various life cycle inventory sources with materials or processes in existing building WBLCA tool repositories. These strategies are useful for those involved in building design with an interest in reducing their environmental impact. For example, this framework would be useful for researchers who are conducting WBLCAs on projects that include new or unusual materials and for design teams who want to integrate WBLCA more fully into their design process in order to ensure the building materials are consciously chosen to advance climate goals, while still ensuring best performance by traditional measures.
The new DOE Order 436.1A approved on April 25 th provides instructions to incorporate principles of sustainability early in the project planning and design process. Integral to the principles of sustainability is life cycle cost effectiveness Life Cycle Cost (LCC) Analysis is vital to the sustainable energy efficient design and construction of the Electron Ion Collider (EIC). Reducing energy consumption has a direct impact on reducing life cycle operating costs with benefits to the environment. The early stages of the project are the most influential where design decisions and so life-cycle considerations during this stage can result in significant impacts to the energy footprint of the design. For example, when comparing between various options, it is necessary to compare the energy savings in $\frac{US$}{kWh}$ to the capital cost in US$. And although uncertain by nature, it is important to factor in the expected inflation and discount of future spendings to compare with the cost of immediate capital investment. This tech note presents a tool that engineers can readily use to analyze energy operating costs using an incremental life cycle cost method when comparing different design alternative.
The global plastic waste crisis has increased in severity in recent years: annual plastic production is projected to reach 500 million metric tons by 2025, and plastic waste accumulation is expected to surpass 12 billion metric tons. Despite these growing volumes, only ∼9% of plastic waste is currently recycled; the majority is either landfilled, incinerated, or mismanaged, contributing to escalating greenhouse gas emissions—from 1.7 Gt carbon dioxide equivalent (CO 2 -eq.) in 2015 to an estimated 6.5 Gt CO 2 -eq. by 2050—and physical environmental pollution. This review provides a comprehensive overview of advanced plastic upcycling strategies to address this issue and recover value from diverse plastic waste streams. Recent developments in solvent-based dissolution, chemical depolymerization, and thermochemical conversions are examined for major plastic types, including polyolefins, polycondensation polymers, and PVC. Underlying reaction pathways, catalyst designs, and processing parameters that govern product selectivity, efficiency, and conversion yields are discussed in depth. Emerging techniques such as microwave-assisted depolymerization, tandem catalysis, and co-processing approaches are highlighted for their potential to enhance efficiency under milder conditions. Emphasis is also placed on the production of high-value products such as monomers, naphtha-range hydrocarbons, and syngas, and discussion is provided on catalyst stability, contaminant removal, scalability, life cycle effects on the environment, and technoeconomic viability. Finally, the review outlines future research directions focused on catalyst innovation, integrated process design, supportive policy frameworks, and interdisciplinary collaboration. All recommendations are aimed at accelerating large-scale implementation of plastic upcycling technologies and advancing the global circular plastics economy.
This paper will present key findings from a future-oriented qualitative study investigating likely futures for the next 5-10 years in the architecture, engineering, construction, and operations industry. This research offers an original contribution to the buildings industry by articulating an actionable framework to more effectively build connections between built environment fields. Whereas the ideal of interdisciplinary, research driven practice underlies the approach to pedagogy at many schools of architecture, innovation in the profession, such as the integrated design process, has been limited. This project applies Legitimation Code Theory (LCT) to the analysis of data gathered from interviews and a review of industry reports.
The Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report outlines key insights and actionable recommendations for accelerating the scale-up of disruptive chemical manufacturing technologies. Convened in October 2024, the workshop brought together approximately fifty experts from academia, industry, national laboratories, and government agencies to address the barriers and solutions for maturing technologies from proof-of-concept to commercialization. The report identifies seven critical themes for enabling faster scale-up. These themes were explored through general discussions and breakout sessions focused on three specific chemical manufacturing technologies—electrochemical, thermochemical, and biological conversion processes. The findings emphasize the importance of interdisciplinary collaboration, robust funding mechanisms, and shared resources to overcome technical barriers and accelerate technology deployment. The report also highlights technology-specific challenges and opportunities, including the need for advanced materials, scalable manufacturing processes, and integrated testing environments. For electrochemical manufacturing processes, durability and material optimization are key priorities, while thermochemical processes require novel reactor designs and better supply chain integration. Biological conversion processes face hurdles in strain engineering, reactor design, and process integration. Across all technologies, the workshop emphasized the importance of leveraging computational tools, standardized protocols, and collaborative networks to address knowledge gaps and technical barriers. By acting on these insights, stakeholders can reduce the timeline for scaling up critical chemical manufacturing technologies, ensuring their timely impact on manufacturing competitiveness, and environmental sustainability.
Because the fleet of coal-fired power plants is of such importance to the nation's energy production while also being the single largest emitter of CO₂, the development of retrofit, post-combustion CO₂ capture technologies for existing and new, upcoming coal power plants will allow coal to remain a major component of the U.S. energy mix while mitigating global warming. Post-combustion carbon capture technologies are an attractive option for coal-fired power plants as they do not require modification of major power-plant infrastructures, such as fuel processing, boiler, and steam-turbine subsystems. In this project, the overall objective was to develop an advanced, hollow-fiber, polymeric membrane process that could be cost-effectively retrofitted into current pulverized coal-fired power plants to capture at least 90% of the CO₂ from plant flue gas with 95% captured CO₂ purity. The approach for this project tackled the technology development on three different fronts in parallel: membrane materials R&D, hollow-fiber membrane module development, and process development and engineering. The project team consisted of RTI (prime) and two industrial partners, Arkema, Inc. and Generon IGS, Inc. Two CO₂-selective membrane polymer platforms were targeted for development in this project. For the near term, a next-generation, high-flux polycarbonate membrane platform was spun into hollow-fiber membranes that were fabricated into both lab-scale and larger prototype (~2,200 ft²) membrane modules. For the long term, a new fluoropolymer membrane platform based on poly(vinylidene fluoride) [PVDF] chemistry was developed using a copolymer approach as improved capture membrane materials with superior chemical resistance to flue-gas contaminants (moisture, SO₂, NO x , etc.). Specific objectives were: - Development of new, highly chemically resistant, fluorinated polymers as membrane materials with minimum selectivity of 30 for CO₂ over N₂ and CO₂ permeance greater than 300 gas permeation units (GPU) targeted; - Development of next-generation polycarbonate hollow-fiber membranes and membrane modules with higher CO₂ permeance than current commercial polycarbonate membranes; - Development and fabrication of membrane hollow fibers and modules from candidate polymers; - Development of a CO₂ capture membrane process design and integration strategy suitable for end-of-pipe, retrofit installation; and - Techno-economic evaluation of the "best" integrated CO₂ capture membrane process design package In this report, the results of the project research and development efforts are discussed and include the post-combustion capture properties of the two membrane material platforms and the hollow-fiber membrane modules developed from them and the multi-stage process design and analysis developed for 90% CO₂ capture with 95% captured CO₂ purity.
Silicon carbide (SiC) power transistors are used in the main traction inverter of electric vehicles (EVs). Tesla began installing SiC power MOSFETs in 2017, and has now produced 4.8 million EVs containing over 169 million SiC power MOSFETs. Looking ahead, the worldwide EV market is projected to exceed 50 million vehicles per year by 2030 (Reuters, Oct. 25, 2022). This will create a demand for over two billion SiC power MOSFETs per year. Our program aims to double the efficiency of today's commercial power MOSFETs. This will cut the number of MOSFETs per EV in half, reducing cost, simplifying assembly, decreasing weight, and increasing vehicle reliability through reduced parts count. Our approach is to apply innovative design and advanced processing to increase the density of current-controlling channels in SiC power MOSFET. We have developed two new MOSFET devices, each of which increases the channel density by a factor of six over today's best commercial MOSFETs. This required implementing new fabrication processes, creating new device designs, and integrating the processing steps and device designs into a manufacturable technology. In this project we have developed two innovative devices: (i) a novel three-dimensional structure, the "tri-gate MOSFET," and (ii) a deeply-scaled, fully self-aligned trench MOSFET, the "IMOSFET". Both products were experimentally demonstrated during this project and meet the program goals of increased efficiency relative to the current state-of-the art commercial products. In the process we have generated significant IP, with two US patents issued and three applications pending. We have also published three journal articles and given reports on this technology at seven international conferences. The success of this program has led to significant follow-on funding from industry. In May 2023 Purdue University signed a five-year R&D contract with GlobalFoundries to transfer our novel technology to commercial production. With headquarters in Malta, NY, Global Foundries is one of the largest pure-play silicon foundries in the world, with annual revenue of $\$$8.1B. Their SiC foundry will be built around the next-generation 200-mm diameter SiC wafers, which will double the number of die per wafer and reduce per-die production cost.
Process intensification and integration for sustainable design play an essential role in addressing and alleviating severe sustainable development challenges. It is prudent to evaluate a process design in its early stage development to ensure the process can achieve sustainability goals. The primary goal of a sustainability evaluation is to assess the impact of systems on areas sought to be protected and maintained over time, such as human well-being and ecosystems (Schaubroeck, T. and Rugani, B. (2017). A revision of what life cycle sustainability assessment should entail: towards modeling the net impact on human well-being. Journal of Industrial Ecology 21 (6): 1464-1477). Parenthetically, sustainable process design to convert biomass to fuels and chemicals plays an integral part in the bioeconomy sustainability. It is recognized that the integration of sustainability in process design is core to the mission in developing renewable fuels and should be considered a necessary practice in biorefinery design. This study demonstrates the use of Gauging Reaction Effectiveness for ENvironmental Sustainability of Chemistries with a multi-Objective Process Evaluator (GREENSCOPE) as a tool to help track progress on process sustainability performance attributed to conversion improvement. With the incorporation of a wide range of indicators, GREENSCOPE captures the multi-dimensional aspect of the process design and operation. As opposed to conventional techno-economic analysis and life cycle assessment (in which the focuses are limited to economic and environmental aspects), GREENSCOPE enables the consideration of process intensification and integration for sustainable design. A high-octane gasoline production from woody biomass feedstock is used as a case study to demonstrate the approach.
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Inverse design techniques are one way to leverage advances in 3D printing, artificial intelligence, and computational resources to achieve increased performance of heat exchangers. Two optimization techniques (genetic algorithm and particle swarm) and three geometry representations (binary level set, composite Bézier, and free form deformation) are used to increase the heat transfer and reduce the pressure drop of a heat exchanger fin. After running 210,810 OpenFOAM simulations, results indicate that a significant performance increase of the fin can be realized in less than 48 hrs, allowing for such a process to be integrated in traditional design processes. The best design increased the performance of the objective function, compared to the baseline rectangular geometry by 75%. A custom distributed infrastructure was built, allowing for all methods to reach 95% of the final objective values in a little over 4 hrs, handling 1674 OpenFoam simulations per hour.
The primary objective and outcome of this project was the development and validation of a novel, low-cost, high-pressure fast-hydropyrolysis/hydrodeoxygenation (HDO) process (H 2 Bioil) using supplementary hydrogen (H 2 ) to produce liquid hydrocarbons from biomass. The research efforts under the various tasks of the project have culminated in the first experimental demonstration of the H 2 Bioil process, producing 100% deoxygenated >C4+ hydrocarbons containing 36-40% of the carbon in the feed of pyrolysis products from biomass. The demonstrated H{sub 2}Bioil process technology (i.e. reactor, catalyst, and downstream product recovery) is scalable to a commercial level and is estimated to be economically competitive for the cases when supplementary H 2 is sourced from coal, natural gas, or nuclear. Additionally, energy systems modeling has revealed several process integration options based on the H 2 Bioilprocess for energy and carbon efficient liquid fuel production. All project tasks and milestones were completed or exceeded. Novel, commercially-scalable, high-pressure reactors for both fast-hydropyrolysis and hydrodeoxygenation were constructed, completing Task A. These reactors were capable of operation under a wide-range of conditions; enabling process studies that lead to identification of optimum process conditions. Model compounds representing biomass pyrolysis products were studied, completing Task B. These studies were critical in identifying and developing HDO catalysts to target specific oxygen functional groups. These process and model compound catalyst studies enabled identification of catalysts that achieved 100% deoxygenation of the real biomass feedstock, sorghum, to form hydrocarbons in high yields as part of Task C. The work completed during this grant has identified and validated the novel and commercially scalable H 2 Bioil process for production of hydrocarbon fuels from biomass. Studies on model compounds as well as real biomass feedstocks were utilized to identify optimized process conditions and selective HDO catalyst for high yield production of hydrocarbons from biomass. In addition to these experimental efforts, in Tasks D and E, we have developed a mathematical optimization framework to identify carbon and energy efficient biomass-to-liquid fuel process designs that integrate the use of different primary energy sources along with biomass (e.g. solar, coal or natural gas) for liquid fuel production. Using this tool, we have identified augmented biomass-to-liquid fuel configurations based on the fast-hydropyrolysis/HDO pathway, which was experimentally studied in this project. The computational approach used for screening alternative process configurations represents a unique contribution to the field of biomass processing for liquid fuel production.
Enormous military and commercial interests exist in developing quiet, lightweight, and compact thermoelectric (TE) power generation systems. This paper investigates design integration and analysis of an advanced TE power generation system implementing JP-8 fueled combustion and thermal recuperation. Design and development of a portable TE power system using a JP-8 combustor as a high temperature heat source and optimal process flows depend on efficient heat generation, transfer, and recovery within the system are explored. Design optimization of the system required considering the combustion system efficiency and TE conversion efficiency simultaneously. The combustor performance and TE sub-system performance were coupled directly through exhaust temperatures, fuel and air mass flow rates, heat exchanger performance, subsequent hot-side temperatures, and cold-side cooling techniques and temperatures. Systematic investigation of this system relied on accurate thermodynamic modeling of complex, high-temperature combustion processes concomitantly with detailed thermoelectric converter thermal/mechanical modeling. To this end, this work reports on design integration of systemlevel process flow simulations using commercial software CHEMCADTM with in-house thermoelectric converter and module optimization, and heat exchanger analyses using COMSOLTM software. High-performance, high-temperature TE materials and segmented TE element designs are incorporated in coupled design analyses to achieve predicted TE subsystem level conversion efficiencies exceeding 10%. These TE advances are integrated with a high performance microtechnology combustion reactor based on recent advances at the Pacific Northwest National Laboratory (PNNL). Predictions from this coupled simulation established a basis for optimal selection of fuel and air flow rates, thermoelectric module design and operating conditions, and microtechnology heat-exchanger design criteria. This paper will discuss this simulation process that leads directly to system efficiency power maps defining potentially available optimal system operating conditions and regimes. This coupled simulation approach enables pathways for integrated use of high-performance combustor components, high performance TE devices, and microtechnologies to produce a compact, lightweight, combustion driven TE power system prototype that operates on common fuels.
The SLAC RCE platform is a general purpose clustered data acquisition system implemented on a custom ATCA compliant blade, called the Cluster On Board (COB). The core of the system is the Reconfigurable Cluster Element (RCE), which is a system-on-chip design based upon the Xilinx Zynq family of FPGAs, mounted on custom COB daughter-boards. The Zynq architecture couples a dual core ARM Cortex A9 based processor with a high performance 28nm FPGA. The RCE has 12 external general purpose bi-directional high speed links, each supporting serial rates of up to 12Gbps. 8 RCE nodes are included on a COB, each with a 10Gbps connection to an on-board 24-port Ethernet switch integrated circuit. The COB is designed to be used with a standard full-mesh ATCA backplane allowing multiple RCE nodes to be tightly interconnected with minimal interconnect latency. Multiple shelves can be clustered using the front panel 10-gbps connections. The COB also supports local and inter-blade timing and trigger distribution. An experiment specific Rear Transition Module adapts the 96 high speed serial links to specific experiments and allows an experiment-specific timing and busy feedback connection. This coupling of processors with a high performance FPGA fabric in a low latency, multiple node cluster allows high speed data processing that can be easily adapted to any physics experiment. RTEMS and Linux are both ported to the module. The RCE has been used or is the baseline for several current and proposed experiments (LCLS, HPS, LSST, ATLAS-CSC, LBNE, DarkSide, ILC-SiD, etc).
Process synthesis, integration, and intensification are the three pillars of process design. Current synthesis and integration methods are able to find optimal design targets and process configurations when all the alternatives are known beforehand. Process intensification, on the other hand, combines multiple physicochemical phenomena and exploits their interactions to create innovative designs. Often times, these designs are not known beforehand, and a phenomena-level representation of chemical processes are required to identify them. This disconnection between the three paradigms limits the ability to systematically discover optimal design pathways. We demonstrate that the building block representation, originally proposed in our earlier work on process intensification, has the potential to bridge this gap. Depending on the attributes assigned to the interior and the boundaries of these two-dimensional abstract building blocks, they can represent various intensified or isolated phenomena at the lowest level, various tasks at the equipment level, and various unit operations at the flowsheet level. Here, this common multiscale representation enables an mixed-integer nonlinear optimization-based single framework for the sequential or simultaneous synthesis, integration, and intensification of chemical processes. Such a general framework is critical to reduce the risk of eliminating potential intensification pathways and candidate flowsheets at the conceptual design stage. The framework is demonstrated using a case study on an ethylene glycol process.