Exemplar Mixtures for Studying Complex Mixture Effects in Practical Chemical Separations
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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A Novel Framework to Evaluate the Costs and Potential of Bioenergy in Decarbonization of the U.S. Economy
The long-term strategy of the United States targets reaching economy-wide net-zero emissions by 2050 and a carbon-neutral electricity grid by 2035 (U.S. Department of State and U.S. Executive Office of the President, 2021). Meeting these targets would require considerable changes to the energy system. Some key characteristics of illustrative net-zero energy systems include increased penetration of renewable energy and carbon sources, use of CO2 capture and storage (CCS) in hard-to-abate sectors, and a greater role for energy carriers such as electricity and hydrogen (Davis et al, 2018). Another common feature of such energy systems is the need for carbon dioxide removal (CDR) approaches (Horowitz et al, 2022). Across all these characteristics of net-zero energy systems, bioenergy and biomass feedstock is anticipated to play an important role. Biomass feedstock serves as a renewable carbon source. This can enable conversion of such feedstock into fuels and energy carriers for hard-to-abate sectors such as aviation. Indeed, the U.S. Government has a target to meet all jet fuel demand by 2050 from sustainable aviation fuel (SAF), where biofuel pathways are likely to have an important role (EERE, 2020). Bioenergy is also highly versatile with the possibility to convert feedstock into electricity, hydrogen, liquid fuels, heat or high-value products, based on biomass type, demand and technology availability (Clarke et al, 2022). Combination of bioenergy with CCS can also nominally deliver CDR (Fuhrman et al, 2023). As such, the share of bioenergy is expected to grow by at least five time across scenarios studied for the long-term strategy of the U.S. between 2020 and 2050 (Horowitz et al, 2022). Notwithstanding the role of bioenergy in the energy systems, its deployment, costs and scalability are influenced by a number of factors. Some of these factors pertain to policy interventions such as imposition of a binding decarbonization target either at an economy-wide level or the sectoral level. Resource availability and type of biomass feedstock also varies considerably across regions. From a technological perspective, the readiness of bioenergy conversion pathways is subject to high variability. This influences the costs of deployment. Moreover, the sourcing of feedstock, grid carbon intensity, and co-product handling approaches all affect the life cycle efficacy of bioenergy. The latter, in turn, is particularly important in determining the extent to which bioenergy with CCS or BECCS can effectively deliver CDR (Fajardy and Mac Dowell, 2017).
air emission↗
Electrochemical Conversion of CO2 into Valuable Commercial Chemicals
no abstract
01 COAL, LIGNITE, AND PEAT↗
SECARB 2020 Semi-Annual Field Review Reports - Anthropogenic Test
The Southern States Energy Board (SSEB) managed the overall Southeast Regional Carbon Sequestration Partnership (SECARB) Phase III project and the Electric Power Research Institute (EPRI) managed all activities associated with the Anthropogenic Test site. Advanced Resources International, Inc. (ARI) assisted EPRI with the management of site activities. EPRI and ARI followed reporting procedures that included monthly and quarterly technical progress reports, as well as periodic reporting on key field activities. Subsequent sections of this report catalog the field activities and are organized in a semi-annual chronology. The SECARB Anthropogenic Test was the largest demonstration of a fully integrated, pulverized coal-fueled carbon capture and storage (CCS) project in the United States as of 2012 and supports a commercial prototype of CO 2 capture; transportation; subsurface storage; and monitoring, verification, and accounting (MVA); and assessment. The demonstration-scale, post-combustion CO 2 capture facility at Alabama Power Company’s Plant Barry diverted flue gas (25MW equivalent) from its Unit #5 coal burning facility and captured the CO 2 using Mitsubishi Heavy Industries (MHI) KM-CDRTM advanced amine technology. The captured CO2 was compressed at Plant Barry and transported by pipeline to the injection location southeast of Citronelle, Alabama. The Citronelle Project’s geologic storage and MVA sites were located on the flanks of the Citronelle Dome, approximately three miles southeast of the city of Citronelle. The injection zone, the Paluxy Formation, a saline formation that occurs at approximately 9,400 feet and overlies the oil production horizon of the Citronelle oilfield, presents a favorable injection reservoir in terms of areal extent and petrophysical characteristics. The confining zone, the basal shale of the overlying Washita-Fredericksburg Formation, is persistent throughout the Citronelle area and possesses the appropriate criteria to act as an effective CO 2 seal.
01 COAL, LIGNITE, AND PEAT↗
Establishing capabilities for quantum computing and simulations for energy applications
Quantum information science (QIS) is creating potential transformative opportunities to exploit intricate quantum mechanical phenomena in new ways for obtaining and processing information to advance many areas of science and engineering. Since the National Quantum Initiative Act was signed into law in 2018, developing QIS capability and competency is one of the most urgent tasks of DOE to make sure the US win the quantum race. The QIS contains four pillars: quantum computing, quantum simulations, quantum sensing, and quantum networking. To apply QIS in energy related applications, the key is to develop the capability of quantum computing & simulation tools. In this project, we propose to develop the capability of quantum computing and simulations at NETL to target fossil energy related problems. We will install a simulator (e. g. IBM qiskit) on the NETL supercomputer to simulate the environments of quantum computer. Based on the current available quantum algorithms for quantum chemistry, we will develop quantum computing codes to perform simulation which will focus on fossil energy sector challenges, including CO2 capture & conversion, sensing, and fuel conversion. We then will seek opportunities to run our codes on real quantum computers (such as IBM-Q, google Sycamore, etc.). Through this project, the new capability of quantum computing and simulations will be established at NETL. In addition, the NETL workforce in this area will be trained ready to conduct more complicated tasks in line with NETL missions to enhance the nation’s energy foundation.
97 MATHEMATICS AND COMPUTING↗
Machine-Learned Force Field Modeling of Metal Organic Frameworks for CO2 Direct Air Capture
To cope with legacy greenhouse gas emissions and to achieve net-zero emissions by 2050, the U.S. Department of Energy (DOE) is funding efforts to develop direct air capture (DAC), a method for removing CO2 directly from air. Metal organic frameworks (MOFs) have been well studied as DAC sorbent materials due to their tunable structural and compositional properties. Thermodynamic simulations using force fields are often used to provide predictions of a material’s performance in many separations. However, these force fields often make assumptions about bonds and the physics of the adsorption process. A new class of force fields called machine-learned force fields (MLFFs) use machine learning to form quantitative relationships between a material’s chemical structure and the forces and energies predicted by more accurate quantum mechanical calculations, such as dispersion-corrected density functional theory (DFT). In this work, models were developed to achieve DFT-level accuracy for the forces and energies associated with MOF flexibility and CO2 adsorption using MLFFs. These methods were parametrized based on thousands of DFT calculations of CO2 in flexible MOFs and used to predict MOF structural properties as well as CO2 adsorption in several MOFs.
Findley, John↗
Recent Advances of PyROS: A Pyomo Solver for Nonconvex Two-Stage Robust Optimization in Process Systems Engineering
This poster highlights uncertainty and technical risk reduction capabilities in CCSI2, with a focus on robust optimization. It presents recent advances of the two-stage robust optimization (RO) solver PyROS and applications to advanced energy systems optimization. To demonstrate the computational performance and reliability of PyROS, a benchmarking study on a library of over 8,500 small-scale RO problems is presented. Further, PyROS is used to obtain robust system designs of a MEA-based CO2 absorber under uncertainty in the thermodynamic property models for a variety of CO2 capture rate threshold requirements. Overall, the results demonstrate that the PyROS solver, including recent extensions to multi-stage RO settings, provides a reliable avenue to optimize the design and operation of advanced energy systems subject to various sources of parametric uncertainty.
Sherman, Jason↗
Recent Advances of PyROS: A Pyomo Solver for Nonconvex Two-Stage Robust Optimization in Process Systems Engineering
This poster highlights uncertainty and technical risk reduction capabilities in CCSI2, with a focus on robust optimization. It presents recent advances of the two-stage robust optimization (RO) solver PyROS and applications to advanced energy systems optimization. To demonstrate the computational performance and reliability of PyROS, a benchmarking study on a library of over 8,500 small-scale RO problems is presented. Further, PyROS is used to obtain robust system designs of a MEA-based CO2 absorber under uncertainty in the thermodynamic property models for a variety of CO2 capture rate threshold requirements. Overall, the results demonstrate that the PyROS solver, including recent extensions to multi-stage RO settings, provides a reliable avenue to optimize the design and operation of advanced energy systems subject to various sources of parametric uncertainty.
Sherman, Jason↗
Monitoring, Reporting, and Verification Considerations for Carbon Dioxide Removal
The project investigates Measurement, Reporting, and Verification (MRV) methods for Enhanced Weathering and Marine Carbon Dioxide Removal (mCDR) technologies. Enhanced Weathering accelerates natural mineral processes to capture CO2, while mCDR leverages oceanic processes for carbon sequestration. The study focuses on developing standardized MRV protocols, assessing environmental impacts, and evaluating the scalability and economic feasibility of these carbon sequestration methods. The goal is to ensure reliable and transparent data for validating and improving CO2 removal technologies.
Priyadarshini↗
Sustainable production of plastic degrading enzymes
The 21st century faces the challenge of transitioning to a climate-neutral economy. This hurdle will need to be addressed in a myriad of approaches, including all societal spheres, as highlighted in several UN and EU reports, including new and accessed technologies. Among them, biotechnology can play a core role by exploiting its environmental benefits (e.g., substituting fossil-based products and expected greenhouse emission reductions). In some cases, biotech can even outperform fossil counterparts' features (e.g., the biodegradability of some bioplastics). Microalga is an attractive bioplastic feedstock in this scenario since it directly substitutes petroleum and captures CO2. However, albeit its environmental benefits, the microalgal process still needs to be tipped economically and the net-positive ecological impact improved to drive adoption. To that end, we envisioned the use of a green alga as a source of bioplastic feedstock and industrial enzymes, combining natural traits of microalgae with engineered properties in a resourceful process to petroleum-based products replacement. As proof of concept, we demonstrated that we could use C. reinhardtii, a green algae, to produce plastic-degrading enzymes. We assemble a vector to secrete PHL7, a recently described PETase, capable of degrading post-consumer PET plastic. We successfully engineered the cell line to secrete the plastic-degrading enzyme. We confirmed the secretion of the enzyme by observing halos in agar plates supplemented with plastic dispersions, enzymatic assays, zymograms, and protein sequencing of supernatant samples. This approach allows using green algae to replace petrochemical-derived plastic while producing the tool necessary to recycle existing plastics sustainably.
Dutra Molino, Joao Vitor↗
Beneficial Reuse of Industrial CO2 Emissions Using a Microalgae Photobioreactor: Waste Heat Utilization Assessment
Microalgae are a potential means of recycling CO2 from industrial point sources. With this in mind, a novel photobioreactor (PBR) was designed and deployed at a coal-fired power plant. To ascertain the feasibility of using waste heat from the power plant to heat algae cultures during cold periods, two heat transfer models were constructed to quantify PBR cooling times. The first, which was based on tabulated data, material properties and the physical orientation of the PBR tubes, yielded a range of heat transfer coefficients of 19–64 W m−2 K−1 for the PBR at wind speeds of 1–10 m s−1. The second model was based on data collected from the PBR and gave an overall heat transfer coefficient of 24.8 W m−2 K−1. Energy penalties associated with waste heat utilization were found to incur an 18%–103% increase in energy consumption, resulting in a 22%–70% reduction in CO2 capture for the scenarios considered. A techno-economic analysis showed that the cost of heat integration equipment increased capital expenditures (CAPEX) by a factor of nine and increased biomass production costs by a factor of three. Although the scenario is thermodynamically feasible, the increase in CAPEX incurs an increase in biomass production cost that is economically untenable.
Mohler, Daniel T.↗
Gas Separation Membrane Module Modeling: A Comprehensive Review
Membrane gas separation processes have been developed for diverse gas separation applications that include nitrogen production from air and CO2 capture from point sources. Membrane process design requires the development of stable and robust mathematical models that can accurately quantify the performance of the membrane modules used in the process. The literature related to modeling membrane gas separation modules and model use in membrane gas separation process simulators is reviewed in this paper. A membrane-module-modeling checklist is proposed to guide modeling efforts for the research and development of new gas separation membranes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Tropical Red Macroalgae Cultivation with a Focus on Compositional Analysis
To create carbon efficient sources of bioenergy feedstocks and feedstuff for aquaculture and terrestrial livestock, it is critical to develop and commercialize the most efficient seaweed cultivation approach with a sustainable nutrient input supply. Here, we present data for a novel, onshore tropical macroalgae cultivation system, based on influent deep seawater as the nutrient and carbon sources. Two red algal species were selected, Agardhiella subulata and Halymenia hawaiiana, as the basis for growth optimization. Highest productivity in small-scale cultivation was demonstrated with A. subulata in the 10% deep seawater (64.7 µg N L−1) treatment, growing at up to 26% specific growth rate day−1 with highest yields observed at 247.5 g m−2 day−1 fresh weight. The highest yields for H. hawaiiana were measured with the addition of 10% deep seawater up to 8.8% specific growth rate day−1 and yields at 63.3 g fresh weight m−2 day−1 equivalent. Biomass should be culled weekly or biweekly to avoid density limitations, which likely contributed to a decrease in SGR over time. With a measured 30–40% carbon content of the ash-free dry weight (20–30% of the dry weight) biomass, this translates to an almost 1:1 CO2 capture to biomass ratio. The compositional fingerprint of the high carbohydrate content of both Agardhiella and Halymenia makes for an attractive feedstock for downstream biorefinery applications. By focusing on scaling and optimizing seaweed farming technologies for large-scale onshore farms, the opportunities for yield potential, adaptability to cultivation conditions, and meeting global sustainability goals through novel, carbon-negative biomass sources such as seaweed can be realized.
09 BIOMASS FUELS↗
Integration of Concentrating Solar Power with High Temperature Electrolysis for Hydrogen Production: Preprint
Hydrogen (H2) has been identified as a leading sustainable contender to replace fossil fuels in transportation and electricity generation. H2 production can be achieved by concentrating solar thermal power (CSP) systems collecting thermal energy from the sun to various chemical processes for fuel production. Fuel production via solar thermal chemical processes integrated with CSP uses the full spectrum of sunlight compared with photovoltaic power conversion and stores solar energy directly and efficiently [1]. The solar fuel production can be realized by thermochemical processes (e.g., water splitting for H2 production, carbon dioxide reduction, or methane reforming) or thermal electrochemical methods (e.g., integration with solid oxide electrolysis cell). Technology development for CSP-integrated solar fuel production requires broad technological bases from solar energy collection to chemical energy conversion. H2 generated from renewable sources can be an energy carrier for a carbon-free economy. Integrating CSP with high temperature electrolysis (HTE) using solid oxide electrolysis cells (SOEC) provides a renewable path for H2 generation. The CSP-HTE integration approach provides the benefit of thermal energy storage (TES) for continuous operation, improved capacity, and SOEC life. H2 gas has low energy density for transportation, pipeline networks are expensive, and H2 liquefaction is energy intensive. However, an alternative method for H2 distribution is to use carbon dioxide (CO2) capture and liquid hydrocarbon synthesis to convert solar energy into liquid fuels that are compatible with the existing fossil fuel infrastructure.
concentrating solar thermal power↗
Recent Advances of PyROS: A Pyomo Solver for Nonconvex Two-Stage Robust Optimization in Process Systems Engineering
The document presents recent algorithmic and implementation advances of the two-stage robust optimization (RO) solver PyROS, and a benchmarking study which demonstrates the utility of PyROS for two-stage RO problems. The advances include extensions of the scope of PyROS to models with uncertain variable bounds, improvements to the initializations of the subproblems used by the underlying cutting set algorithm, and extensions of the uncertainty set interfaces. The benchmarking study is performed on a library of over 8,500 instances, with variations in the nonlinearities, degree-of-freedom partitioning, uncertainty sets, and polynomial decision rule approximations. An amine-based CO2 capture case study is presented to demonstrate the utility of PyROS for large-scale process models. Overall, the results highlight the effectiveness of PyROS for obtaining robust solutions to optimization problems with uncertain equality constraints.
Sherman, Jason↗
Solvent-Based Absorption
Solvent-based CO2 absorption processes are the oldest and most mature technology, having been deployed at what would be considered full-scale for post-combustion CO2 capture. There are many commercial 1st and 2nd generation technologies such as Econamine FG+, CANSOLV, Oase Blue, KS-1, with dozens if not hundreds of 3rd generation solvents that are been studied at varying stages of testing. While there are many solvents that are under development, nearly all solvents function on the same physical and chemical principles and it is not surprising that they all have similar configurations with somewhat comparable levels of performance. The enhancements in energy efficiency for solvents have come primarily from the engineering advancements over many decades of refinement, though surprisingly little has changed with respect to the molecular structure of solvents over the same period of time. In this chapter, we explain the tenets of solvent-based processes and provide a chronological timeline of solvents throughout their nearly 90-year history with discussions of why and how advancements in solvent efficiency have been achieved and we conclude with an outlook for the future of solvents and their place in CCUS.
Heldebrant, David J.↗
Prediction of Performance of a Pilot-Scale Dual Fluidized Bed System for Chemical Looping with Oxygen Uncoupling
Chemical looping with oxygen uncoupling (CLOU) is a variant of chemical looping combustion that involves spontaneous release of gaseous oxygen in the fuel reactor, which enables efficient combustion of solid fuel char. The University of Utah has constructed a 200 kW pilot-scale chemical looping process development unit (PDU) consisting of two fluidized beds. The CLOU oxygen carrier uses copper as the active metal, cycling between cupric (CuO) and cuprous (Cu2O) oxides. As an aid for design, troubleshooting and evaluation of the pilot system, a CFD model has been developed using CPFD Software’s Barracuda VR software. The 3D model includes both reactors, as well as loop seals and cyclone separators. Mechanisms describing CLOU reaction kinetics for cuprous oxide oxidation in the air reactor and cupric oxide reduction in the fuel reactor were adapted from previously reported experimental work. Coal char kinetics were based on the carbon-hydrogen-nitrogen-oxygen-sulfur, CHNOS, method. Submodels for devolatilization, gasification, and homogenous gas-phase reactions used preexisting relationships in the literature. Three different simulations were performed, analyzing the influence of particle properties (a base carrier and an alternate carrier referred to as cariact) and coal feeding rate (100kW, 200kW). Increased coal feeding rate caused significant increase in cuprious oxide oxidation in the air reactor as well as higher temperature. The alternate carrier predicted CO2 capture below 90%, in contrast to the other cases.
Reinking, Zachary↗
Quarterly Technical Progress Report Piperazine Advanced Stripper (PZAS™) Front End Engineering Design
EXECUTIVE SUMMARY This document summarizes the status of Cooperative Agreement DE-FE0031844, “Piperazine Advanced Stripper (PZAS™) Front-End Engineering Design,” during the reporting period of January 1 through March 31, 2020. The objective of this project is to develop accurate installed costs by conducting a Front-End Engineering Design (FEED) of PZAS™ at Golden Spread Electric Cooperative’s (GSEC) Mustang Station located in Denver City, TX. Complementary benefits include positioning the technology for a commercial project with the 45Q tax credits, qualifying PZAS™ for use on a Natural Gas Combined Cycle (NGCC) Cogen facility, and to provide cost detail to optimize PZAS™ and help guide R&D of second-generation solvent CO2 capture technologies. Results from the FEED will be used to evaluate the economic feasibility of the process at Mustang Station. This project is funded by the U.S. DOE National Energy Technology Laboratory under the aforementioned Cooperative Agreement. Exxon, Total, Chevron, UOP-Honeywell, and the University of Texas (UT) are project co-funders. AECOM and Trimeric are project team members; UT is the prime contractor. Summary of Progress Cooperative Agreement DE-FE0031844 was established in October 2019. The current reporting period, January 1 through March 31, 2020, is the second technical progress reporting period for the project. Several milestones were accomplished during this reporting period, including: • Kickoff Meeting with DOE on February 3, 2020. • Kickoff Meeting with GSEC on March 30, 2020. (Note: Due to Covid-19 travel restrictions and shelter-in-place guidelines, the kickoff meeting was conducted remotely via videoconferencing. See attached notes from that telecon.) • Updated Project Management Plan March 2020, submitted with this quarterly report Other activities during the quarter included progress on contracting and other legal agreements (e.g., non-disclosure agreements), internal kickoff meetings at both AECOM and Trimeric, and development of a Technical Implementation Plan (TIP). The TIP will help the team to make critical, early process decisions and, ultimately, to develop a project and process design basis. Note that all agreements between project team participants are complete as of this submittal, except the vendor agreement with Kiewit (steam cycle modeling). Plans for Next Reporting Period Activities during the next reporting period (April 1, 2020 through June 30, 2020) include: the completion of the Project Design Basis and progress towards the Process Design Basis/Process Design Package (PDP). The Project Design Basis is due as a deliverable and milestone during the next reporting period.
Rochelle, Gary T.↗