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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

An Evaluation of Energy Storage Options for Nuclear Power

The dynamics of energy generation, delivery, and consumption in the United States continue to change as new energy sources come online and consumers purchase more energy-intensive devices. The percentage of electricity generation from variable renewable energy sources like wind and solar power has grown year after year. Meanwhile, the evolution of electric vehicles, smart devices, and consumer appliances is changing the way that electricity is used. As a result of these trends, nuclear power plants (NPPs) are being asked to operate more flexibly. Newly constructed, advanced nuclear power plants (A-NPPs) will likely need to adapt their business models with these market shifts in mind. In the future, A-NPPs might operate in an electricity system that values flexibility (e.g. fast ramping) more than stability (e.g. baseload supply). The current fleet of NPPs is struggling to remain economically viable in competitive markets that favor low natural gas prices and renewable energy sources with low marginal costs. Rising construction costs and ambiguous national policies have only added to the challenges facing plant operators. The industry as a whole is in decline, with 19 reactors in the process of being decommissioned and 5 of these plants retiring in the past decade. However, NPPs also provide several performance and environmental benefits by maintaining a high capacity factor and generating almost zero greenhouse gas (GHG) emissions over the life cycle of the plant. As more areas of energy consumption in the United States are electrified, NPPs could potentially replace coal and natural gas as a source of heat and power to help decarbonize the U.S. energy mix. Improving the flexibility of newly constructed A-NPPs to increase revenue through market hedging and reduce costs via stable operation was explored in this analysis. The increasing penetration of variable energy resources could contribute to the uncertainty of electricity demand, which could in turn increase the need for dispatchable electricity generating units. This role is currently filled by inexpensive natural gas combined cycle (NGCC) plants, whereas coal and NPPs have traditionally been called upon to provide baseload power by maintaining a constant power output. As wholesale electricity prices continue to fall due to low natural gas prices and federally subsidized renewable energy, this business model has begun to fail, resulting in incidences of NPPs selling electricity at a loss. Since it has not been economically favorable for NPPs to operate flexibly in this situation in the past, due to their low variable costs compared to fossil fuel power plants, NPPs in the United States were not built with this purpose in mind. Therefore, legacy NPPs have had difficulty adapting to these shifting dynamics due to regulatory and technical constraints, coupled with a lack of meaningful experience. NPPs in France have operated in this manner for years, due to a much higher percentage of baseload generators and a lower percentage of fast-ramping NGCC plants. The integration of energy storage technologies (ESTs) alongside newly constructed A-NPPs will be investigated in this analysis as an alternative method for helping NPPs resolve the economic challenges they currently face. Although the deregulation of energy markets in the United States is responsible for much of the increased competition from natural gas and renewable energy that has negatively impacted NPPs, this process has also led to the creation of ancillary service markets. ESTs can provide many of these services, so an integrated energy storage system could supplement both the reliability of the electricity grid and the economic performance of a NPP by bidding into these markets. However, many technical, financial, and regulatory barriers still prevent ESTs from operating profitably in this space. The purpose of this body of work is to compile a transparent database of metrics for available ESTs and identify barriers to widespread deployment. An analytical selection methodology was also developed to identify favorable technologies for integration with specific NPPs based on information supplied by an interested developer. These tools could help reduce the perceived risk surrounding investment in energy storage systems, which could help both NPPs in need of economic assistance and ESTs in need of further research and development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Engineering Accessible Adsorption Sites in MOFs for CO 2 Capture (Final Report)

The overall goal of this project was to synthesize metal-organic frameworks (MOFs) with improved CO 2 adsorption and selectivity properties for potential application in removing this greenhouse gas from flue gas streams during fossil fuel processing. MOFs are an important class of 2-dimensional (2D) and 3D supramolecular coordination polymer networks that are comprised of organic linkers (ligands) and metal ion-units or clusters. They generally possess very high surface area, porosity, variable thermal stability and tunable chemistry, which make them potentially candidates CO 2 adsorption. The three specific objectives of this project were as follows: 1) To synthesize MOFs with metal ions adsorption sites in more accessible locations within the structures (towards the center of the organic linkers) in order to enhance their CO 2 adsorption characteristics; 2) To investigate the CO 2 adsorption properties of new MOFs containing pyrazine- and other nitrogen containing ligands as possible improved alternatives to known amine-functionalized MOFs; and 3) To investigate the nature of the adsorption sites and mechanism(s) by conducting computational studies on CO 2 adsorption within the MOF structures and compare the results with experimental observations. The main outcomes of this research are as follows. Nitrogen-containing ligands that possesses a diaza-12-crown-4-ether moiety at the center of two phenylcarboxylic acid groups was utilized to synthesize 3D MOFs in which the added transition metal ions (i.e.CO 2 + and Mn2+) were coordinated within the crown moieties. Therefore, the structures had the metal ions in more accessible locations. The new 3D structures, being non-porous however, showed negligible adsorption capacity for CO 2 . The ligand 2,3,5,6,-pyrazinetetracarboxylic acid (PZTC) was successfully used to synthesize four new MOFs, each with one of the following metal ion; Ca2+(1D), Zn2+(2D), Mn2+ (3D) and Gd3+(3D), and with the dimensionality (D) indicated. The Ca-, Zn- and Mn- PZTC-based MOFs had no obvious accessible pores and showed no adsorption capacity for CO 2 . Gd-PZTC structure however, showed promising capacities of 1.0 mmol/g and 0.6 mmol/g at 273K and 298 K respectively. Another nitrogen-containing ligand explored was 2,2’-dinitro- trans-4,4’- stilbenedicarboxylic acid (DNSDC) and in combination with a co-ligand, 2,2’-bipyridine (2,2’-BPY). The combination of DNSDC with CO 2 + and Mn2+ yielded four new thermally stable MOFs that showed significant CO 2 absorption capacities. The experimental CO 2 adsorption capacities varied among the structures, ranging between 1.8 mmol/g at 256 K and 0.8 mmol/g at 298K. The DNSDC-based structures maintained significant stability and capacities over many adsorption cycles at 298K. With 2,2’-diamino- trans-4,4’-stillbene dicarboxylic acid (DASDC) as ligand instead of DNSDC, new 3D MOF structures were also synthesized. The structures however were less stable, and decomposed on activation (exposure to vacuum and or solvents) and therefore showed negligible CO 2 adsorption capacities. The dinitro-stilbene based MOFs showed promising CO 2 adsorption capacities, thermal stabilities and recyclability, and therefore showed potential for application in CO 2 removal from flue gas. The research accomplishments presented herein supports the Department of Energy’s (DOE) Office of Fossil Energy and the National Energy Technology Laboratory (NETL) mission in the area of research that advances the science of coal technologies, specifically carbon capture and storage. The research outcomes can guide rational design/synthesis strategies towards producing advanced materials for CO 2 capture. However, further research is needed in order to develop the materials to meet or exceed capacities and stabilities that are reported for their counterparts.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2019

Engineering Accessible Adsorption Sites in MOFs for CO 2 Capture

The overall goal of this project was to synthesize metal-organic frameworks (MOFs) with improved CO 2 adsorption and selectivity properties for potential application in removing this greenhouse gas from flue gas streams during fossil fuel processing. MOFs are an important class of 2-dimensional (2D) and 3D supramolecular coordination polymer networks that are comprised of organic linkers (ligands) and metal ion-units or clusters. They generally possess very high surface area, porosity, variable thermal stability and tunable chemistry, which make them potential candidates for CO 2 adsorption. The three specific objectives of this project were as follows: 1) To synthesize MOFs with metal ion adsorption sites in more accessible locations within the structures (towards the center of the organic linkers) in order to enhance their CO 2 adsorption characteristics; 2) To investigate the CO 2 adsorption properties of new MOFs containing pyrazine- and other nitrogen containing ligands as possible improved alternatives to known amine-functionalized MOFs; and 3) To investigate the nature of the adsorption sites and mechanism(s) by conducting computational studies on CO 2 adsorption within the MOF structures and compare the results with experimental observations. The main outcomes of this research are as follows: Nitrogen-containing ligands that possess a diaza-12-crown-4-ether moiety at the center of two phenylcarboxylic acid groups were utilized to synthesize 3D MOFs in which the added transition metal ions (i.e. Co 2+ and Mn 2+ ) were coordinated within the crown moieties. Therefore, the structures had the metal ions in more accessible locations. The new 3D structures, being non-porous however, showed negligible adsorption capacity for CO 2 . The ligand 2,3,5,6,-pyrazinetetracarboxylic acid (PZTC) was successfully used to synthesize four new MOFs, each with one of the following metal ions; Ca 2+ (1D), Zn 2+ (2D), Mn 2+ (3D) and Gd 3+ (3D), and with the dimensionality (D) indicated. The Ca-, Zn- and Mn- PZTC-based MOFs had no obvious accessible pores and showed no adsorption capacity for CO 2 . Gd-PZTC structure however, showed promising capacities of 1.0 mmol/g and 0.6 mmol/g at 273K and 298 K respectively. Another nitrogen-containing ligand explored was 2,2’-dinitro- trans-4,4’- stilbenedicarboxylic acid (DNSDC) and in combination with a co-ligand, 2,2’-bipyridine (2,2’-BPY). The combination of DNSDC with Co 2+ and Mn 2+ yielded four new thermally stable MOFs that showed significant CO 2 absorption capacities. The experimental CO 2 adsorption capacities varied among the structures, ranging between 1.8 mmol/g at 256 K and 0.8 mmol/g at 298K. The DNSDC-based structures maintained significant stability and capacities over many adsorption cycles at 298K. With 2,2’-diamino- trans-4,4’-stillbene dicarboxylic acid (DASDC) as ligand instead of DNSDC, new 3D MOF structures were also synthesized. The structures, however, were less stable, and decomposed on activation (exposure to vacuum and or solvents) and therefore showed negligible CO 2 adsorption capacities. The dinitro-stilbene based MOFs showed promising CO 2 adsorption capacities, thermal stabilities and recyclability, and therefore showed potential for application in CO 2 removal from flue gas. The research accomplishments presented herein support the Department of Energy’s (DOE) Office of Fossil Energy and the National Energy Technology Laboratory (NETL) mission in the area of research that advances the science of coal technologies, specifically carbon capture and storage. The research outcomes can guide rational design/synthesis strategies towards producing advanced materials for CO 2 capture. However, further research is needed in order to develop the materials to meet or exceed capacities and stabilities that are reported for their counterparts.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Cost and Performance Baseline for Fossil Energy Plants Volume 1: Bituminous Coal and Natural Gas to Electricity

This report presents an independent assessment of the cost and performance of select fossil energy power systems—pulverized coal (PC) and natural gas combined cycle (NGCC) plants—using a systematic, transparent, technical, and economic approach. This is Volume 1 of the baseline series: Bituminous Coal and Natural Gas to Electricity. The cost and performance of fossil fuel‐based generation technologies represented in this report are important inputs to assessments and determinations of technology combinations to be utilized to meet the projected demands of future power markets. From a research and development perspective, this report is used to assess goals and metrics and to provide a consistent basis for comparing developing technologies. The main report consists of fifteen power plant configurations, six PC cases (with and without carbon capture) nine NGCC cases (with and without carbon capture) and few additional cases of higher capture rate, for both PC and NGCC plants in the appendix. In addition to the report, an interactive tool was developed that allows users to manipulate six key study parameters simultaneously for each case and visualize the impact on three metrics: 1) levelized cost of electricity (LCOE), 2) cost of CO 2 capture (CCC), and 3) cost of CO 2 avoided (CCA). Following is the link to the interactive tool: https://netl.doe.gov/NETLVol1BaselineTool

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2018

Device-scale CFD study for mass transfer coefficient and effective mass transfer area in packed column

Carbon dioxide (CO 2 ) is a significant contributor of greenhouse gases emissions responsible for global warming. The fossil-fueled power plant is one of the major sources of CO 2 emission worldwide and needs to be mitigated. Post-combustion carbon capture by chemical absorption can be a promising technology to reduce CO 2 emission from power plants. The absorption is carried out via countercurrent flow in the packed columns. Although monoethanolamine (MEA) is a popular solvent, it has also limitations such as high volatility of solvent, corrosivity that leads to product degradation and damage to apparatuses, low CO 2 loading capacity, etc. Therefore, alternate solvents are being explored as prospective materials for carbon capture. A water-lean solvent, CO 2 binding organic liquids (CO2BOL), is currently being developed as a prospective material in carbon capture at the Pacific Northwest National Laboratory. Since the development of the material is at the primitive stage, it needs extensive investigation before industrial deployments. Hydrodynamics and mass transfer phenomena in the packed column using CO 2 BOL is unknown. Computational fluid dynamics (CFD) can be a useful tool to understand these phenomena in the packed column. Before employing the extensive CFD investigations, one needs to carefully validate CFD predictions for accurate flow predictions. This report demonstrates the validation of multiphase flow simulations against the experimental results for both structured and random packed columns. The reactive multiphase flow simulations using volume of fluid method were conducted at a wide range of liquid loads and contacts angles. The effective area is one of the critical factors dictating interphase mass transfer due to chemical reactions. Accordingly, CFD-predicted effective areas were compared with the experimental results of Tsai et al. [1] for Mellapak 250.Y structured packing. Both results matched well at different liquid loads in the presence of fast chemical kinetics using caustic solvents. Further, reactive multiphase flow simulations were also conducted in pall ring random packing to compute effective areas in the presence of fast chemical reactions. The CFD-predicted effective area compared well with correlation developed by Song et al. [2]. With successful validations, the current simulation framework can be further used for prediction of hydrodynamics and mass transfer phenomena using CO 2 BOL solvents in the packed column. Subsequently, it would be helpful in design optimization of a packed column. In addition to validation of the CFD model, this report also explains the mechanism for enhanced liquid side mass transfer for a structured packed column as compared to the wetted wall column.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Techno-Economic Optimization of Advanced Energy Plants with Integrated Thermal, Mechanical, and Electro-Chemical Storage (Final Report)

The increasing use of renewable energy sources is leading to increased cycling of fossil-fueled power plants (FFPP) that are designed to operate at base-loaded conditions. Integrating energy storage facilities with the FFPPs can be helpful in reducing load-following operation of FFPPs. Decentralized deployment of energy storage facilities at the FFPP level has considerable advantages due to possibilities of smaller storage capacities, immediate benefits realized by the host power plant due to the increase in the efficiency, cleaner emission and higher plant life to name a few. Most importantly, deployment at the FFPP level can exploit the existing equipment items and facilities at the host power plant, thus reducing the CAPEX and reducing the storage capacity. However, realization of these benefits will critically depend on novel configuration/integration strategies with the least impact on the power plant operation and its configuration. Furthermore, dynamics of the entire integrated system including both the FFPP and the storage technologies must be taken into account to obtain the cost-optimal solution. With these motivations, the objective of this project was to complete a focused evaluation of decentralized deployments of energy storage facilities at the FFPP level. Promising thermal, chemical, mechanical, and electro-chemical storage technologies were evaluated with due consideration of their transient response to obtain various optimal system concepts that can minimize the levelized cost of storage. For thermal storage, cryogenic energy storage along with high temperature heat storage in molten salt as well as phase change material were evaluated. For mechanical storage, cryogenic air storage and pumped hydro storages were evaluated. For chemical storage, hydrogen storage was evaluated. For electrochemical storage, the team evaluated sodium sulfur, vanadium redox flow battery as well as Li-ion batteries. Integration of these storage technologies with the natural gas combined cycle (NGCC) and supercritical pulverized coal (SCPC) plants was considered. Six technologies, namely molten salt, cryogenics, compressed air, pumped hydro, H2 storage and Li-ion battery storage, were downselected based on their levelized cost of storage. It was observed that the ranking of the optimal storage technology can differ based on the host power plant technology even when same demand/supply/price profile for electricity are considered. It was also observed that as the variability in power demand varies, the ranking of the optimal storage technologies vary. However, for the same demand and LMP profile, top six optimal storage technologies for NGCC vs SCPC plants did not differ much even though LCOS for the same technology and optimal size of a given storage technology did differ. Detailed techno-economic assessment of these six technologies was undertaken.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2017

Wireless microwave acoustic sensor system for condition monitoring in power plant environments

This project successfully demonstrated novel wireless microwave acoustic temperature and pressure sensors that can be embedded into equipment and structures located in fossil fuel power plant environments to monitor the condition of components such as steam headers, re-heat lines, water walls, burner tubes, and power turbines. The wireless microwave acoustic sensor technology researched and developed through a collaborative partnership between the University of Maine and Environetix Technologies Corporation can provide a revolutionary impact in the power industry since it is anticipated that the wireless sensors will deliver reliable real-time sensing information in harsh power plant conditions that involve temperatures up to 1100oC and pressures up to 750 psi. The work involved the research and development of novel high temperature harsh environment thin film electrodes, piezoelectric smart microwave acoustic sensing elements, sensor encapsulation materials that were engineered to function over long times up to 1100oC, and a radio-frequency (RF) wireless interrogation electronics unit that are located both inside and outside the high temperature harsh environment. The UMaine / Environetix team have interacted with diverse power plant facilities, and identified as a testbed a local power generation facility, which burns municipal solid waste (MSW), the Penobscot Energy Recovery Company (PERC), Orrington, Maine. In this facility Environetix / UMaine successfully implemented and tested multiple wireless temperature sensor systems within the harsh-environment of the economizer chamber and at the boiler tubes, transferring the developed technology to the power plant environment to perform real-time sensor monitoring experiments under typical operating conditions, as initially targeted in the project. The wireless microwave acoustic sensor technology developed under this project for power plant applications offers several significant advantages including wireless, battery-free, maintenance-free operation, and operation in the harsh-environment of power plant equipment up to about 1100 oC. Their small size and configuration allows flexible sensor placement and embedding of multiple sensor arrays into a variety of components within power systems that can be interrogated by a single RF unit. The outcomes of this project and technological transfer respond to a DOE analysis need, which indicated that if one percent efficiency in coal burning is achieved, an additional 2 gigawatt-hours of energy per year is generated and the resulting coal cost savings is $300 million per year, also accompanied by a reduction of more than 10 million metric tons of CO2 per year emitted into the atmosphere. Therefore, the developed harsh environment wireless microwave acoustic sensor technology and the technological transfer achievements that resulted from the execution of this project have significant impact for power plant equipment and systems and are well-positioned to contribute to the cost reduction in power generation, the increase in power plant efficiency, the improvement in maintenance, the reduction in down-time, and the decrease in environmental pollution. The technology is also in a position to be extended to address other types of high-temperature harsh-environment power plant and energy sector sensing needs.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2016

Robust Ceramic Coaxial Cable Down-Hole Sensors for Long-Term In Situ Monitoring of Geologic CO 2 Injection and Storage

Energy generation by use of fossil fuels produces large volumes of CO 2 and other greenhouse gases, whose accumulation in the atmosphere is widely seen as undesirable. CO 2 Capture followed by sequestration has been identified as the solution. Subsurface geologic formations offer a potential location for long-term storage of CO 2 because of their requisite size. Unfortunately, the inaccessibility and complexity of the subsurface, the wide range of scales of variability, and the coupled nonlinear processes, impose tremendous challenges to determine the transport and predict the fate of the stored CO 2 . Among the various monitoring approaches, in situ down-hole monitoring of the various state parameters provides critical and direct data points that can be used to validate the models, optimize the injection, detect leakage and track the CO 2 plume. However, down-hole sensors that can withstand the harsh conditions and operate over decades of the project lifecycle remain unavailable. Given that the widespread of carbon capture and storage will be the necessity and reality in the future, fundamental and applied research is required to address the significant challenges and technological gaps in lack of long-term reliable down-hole sensors This project focused on the development and demonstration of a novel, low-cost, distributed, robust ceramic coaxial cable sensor platform for in situ down-hole monitoring of geologic CO 2 injection and storage with high spatial and temporal resolutions. The coaxial cable Fabry-Perot interferometer (CCFPI) has been studied as a general sensor platform for in situ, long-term, measurement of temperature, pressure and strain, which are critical to CO 2 injection and storage. A novel signal processing scheme has been developed and demonstrated for dense multiplexing of the sensors for low-cost distributed sensing with high spatial resolution. The developed temperature, pressure and strain sensors have been extensively tested under laboratory conditions that are similar to the downhole CO 2 storage environment, showing excellent capability for in situ monitoring the various parameters that are important to model, optimize the injection, detect leakage and track the CO 2 plume. In addition, the interactions between the sensor datum and the geological models have been investigated in details for the purposes of model validation, guiding sensor installation/placement, enhancement of model prediction capability and optimization of the injection processes. This project has resulted in the successful development of new ceramic coaxial cable based sensor systems that can monitor directly the changes in pressure, temperature, and strain caused by increased reservoir pressure and reduced reservoir temperature due to the supercritical CO 2 injection. Integrated with geological models, the sensors and measurement data can improve the possibility to identify plume movement and leakage in the cap rock and wells with higher precision and more accuracy. The low cost, ease of deployment, small size and dense multiplexing features of the new sensing technology will allow a large number of sensors to be deployed to address the objective to demonstrate that 99% of the CO 2 remains in the injection zone.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2015

Decentralized control of units in smart grids for the support of renewable energy supply

Due to the significant environmental impact of power production from fossil fuels and nuclear fission, future energy systems will increasingly rely on distributed and renewable energy sources (RES). The electrical feed-in from photovoltaic (PV) systems and wind energy converters (WEC) varies greatly both over short and long time periods (from minutes to seasons), and (not only) by this effect the supply of electrical power from RES and the demand for electrical power are not per se matching. In addition, with a growing share of generation capacity especially in distribution grids, the top-down paradigm of electricity distribution is gradually replaced by a bottom-up power supply. This altogether leads to new problems regarding the safe and reliable operation of power grids. In order to address these challenges, the notion of Smart Grids has been introduced. The inherent flexibilities, i.e. the set of feasible power schedules, of distributed power units have to be controlled in order to support demand–supply matching as well as stable grid operation. Controllable power units are e.g. combined heat and power plants, power storage systems such as batteries, and flexible power consumers such as heat pumps. By controlling the flexibilities of these units we are particularly able to optimize the local utilization of RES feed-in in a given power grid by integrating both supply and demand management measures with special respect to the electrical infrastructure. In this context, decentralized systems, autonomous agents and the concept of self-organizing systems will become key elements of the ICT based control of power units. In this contribution, we first show how a decentralized load management system for battery charging/discharging of electrical vehicles (EVs) can increase the locally used share of supply from PV systems in a low voltage grid. For a reliable demand side management of large sets of appliances, dynamic clustering of these appliances into uniformly controlled appliance sets is necessary. We introduce a method for self-organized clustering for this purpose and show how control of such clusters can affect load peaks in distribution grids. Subsequently, we give a short overview on how we are going to expand the idea of self-organized clusters of units into creating a virtual control center for dynamic virtual power plants (DVPP) offering products at a power market. For an efficient organization of DVPPs, the flexibilities of units have to be represented in a compact and easy to use manner. We give an introduction how the problem of representing a set of possibly 10{sup 100} feasible schedules can be solved by a machine-learning approach. In summary, this article provides an overall impression how we use agent based control techniques and methods of self-organization to support the further integration of distributed and renewable energy sources into power grids and energy markets. - Highlights: • Distributed load management for electrical vehicles supports local supply from PV. • Appliances can self-organize into so called virtual appliances for load control. • Dynamic VPPs can be controlled by extensively decentralized control centers. • Flexibilities of units can efficiently be represented by support-vector descriptions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Final report of “A Detailed Study of the Physical Mechanisms Controlling CO2-Brine Capillary Trapping in the Subsurface” (University of Arizona, DE-SC0006696)

Carbon capture and storage (CCS) of carbon dioxide emissions generated by production or combustion of fossil fuels is a technologically viable means to reduce the build-up of CO2 in the atmosphere and oceans. Using advantages of scale and location, CCS is particularly suitable for large point sources near ubiquitous deep saline aquifers, depleted gas reservoirs, or at production reservoirs for enhanced oil recovery (EOR). In the BES-funded research project, Oregon State University (OSU) carried out capillary trapping experiments with proxy fluids that mimic the properties of the scCO2/brine system under ambient temperatures and pressures, and successfully developed a unique and novel x-ray compatible, high-pressure, elevated temperature setup to study the scCO2/brine system under challenging reservoir conditions. Both methodologies were applied to a variety of porous media, including synthetic (glass bead) and geologic (Bentheimer sandstone) materials. The University of Arizona (UA) developed pore-scale lattice Boltzmann (LB) models which are able to handle the experimental conditions for proxy fluids, as well as the scCO2/brine system, that are capable of simulating permeability in volumes of tens of millions of fluid elements. We reached the following summary findings (main institute indicated): 1. (OSU/UA) To understand capillary trapping in a multiphase fluid-porous medium system, the system must be analyzed from a pore-scale force balance perspective; trapping can be enhanced by manipulating wetting and nonwetting phase fluid properties. 2. (OSU) Pore-scale fluid connectivity and topology has a clear and direct effect on nonwetting phase capillary trapping efficiency. 3. (OSU) Rock type and flow regime also have a pronounced effects on capillary trapping. 4. (OSU/UA) There is a predictable relationship between NWP connectivity and NWP saturation, which allows for development of injection strategies that optimize trapping. The commonly used Land model (Land, 1968) does not predict amount of trapped NWP accurately. 5. (UA) There are ambiguities regarding the segmentation of large-volume gray-scale CT data into pore-volumes suitable for pore-scale modeling. Simulated permeabilities vary by three orders of magnitude and do not resemble observed values very well. Small-volume synchrotron-based CT data (such as produced by OSU) does not suffer significantly from segmentation ambiguities. 6. (UA) A standard properly parameterized Shan-Chen model LB model is useful for simulating porous media with proxy fluids as well as the scCO2/brine system and produces results that are consistent with tomographic observations. 7. (UA) A LB model with fluid-interactions defined by a (modified) Peng-Robinson Equation of State is able to handle the scCO2/brine system with variable solid phase wettability. This model is numerically stable at temperatures between 0 and 250 °C and pressures between 3 and 50 MPa, and produces appropriate densities above the critical point of CO2 and exhibits three-phase separation below. Based on above findings OSU and UA have proposed continued experimentation and pore-scale modeling of the scCO2/brine system. The reported research has extensively covered capillary trapping using proxy fluids, but due to limited beam-time availability we were unable to apply our high-pressure CO2 setup to sufficient variation in fluid properties, and initial scCO2 connectivity. New data will also allow us to test, calibrate and apply our LB models to reservoir conditions beyond those that are currently feasible experimentally. Such experiments and simulations will also allow us to provide information how suitable proxy fluids are for the scCO2/brine system. We believe it would be worthwhile to pursue the following new research questions: 1. What are the fundamental differences in the physics underlying capillary trapping at ambient vs. supercritical conditions? 2. Do newly developed pore-scale trapping interactions and relationships translate to continuum scales? A motivation for these questions was elaborated in “Capillary Trapping of Super-Critical CO2: Linking Pore and Continuum Scales to Verify new Relationships” that was submitted to DOE-BES in 2015.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2018

Oxygenated commodity chemicals from chemo-catalytic conversion of biomass derived heterocycles

Biomass is an abundant source of renewable carbon, which could form the basis for sustainable fuels and chemicals to replace those derived from fossil fuel resources. During the past decade there have been multiple large projects focused on producing renewable fuels from biomass. These pioneer processes have often struggled to reach commercialization due to operational challenges, scale up challenges, and the low margins and high product volumes required for economic viability. The production of oxygenated chemicals from biomass offers several advantages compared to production of biofuels including: (1) chemicals are higher value, allowing for profitability at moderate scale (10–30 kton/yr) and sometimes even small scale (<1 kton/yr); (2) oxygenated chemicals require less deoxygenation, and therefore less hydrogen input and higher product mass yields compared to completely deoxygenated fuels; and, (3) target chemicals use the inherent functionalities (e.g., alcohols, cyclic ethers, C = C and C = O bonds, chiral centers) present in biomass. Furthermore bio-based chemicals can also be coproduced with biofuels thereby improving the economics of bio-refineries. Synergies between bio-refineries and conventional refineries (e.g., utilizing hydrogen surplus for hydrogenation; integrating refinery waste heat) could further improve economic viability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Overview and technology opportunities for thermochemically-produced bio-blendstocks

Global demand for transportation fuels is projected to increase 40% by 2040, and biomass-derived fuels (biofuels) play a crucial role in substituting fossil fuels and mitigating greenhouse gas emissions. Currently, biofuels are mainly consumed as blendstocks combined with petroleum-based fuels, and effective conversion technologies can address the quality challenges for offering standalone biofuels. Thermochemical conversion process is one of the most promising pathways among existing technologies for biofuel production. However, the major barriers are unwanted characteristics (e.g., thermal instability) of intermediate products, such as bio-oil, and required upgrading treatments for producing compatible fuels. Here, this study highlights the merits and critical challenges of thermochemical conversion and physicochemical upgrading technologies for bio-blendstock production from lignocellulosic biomass. The novelty of this study lies in potential directions for future research through both critical and systematic literature reviews, and the proposed intensified process for lignocellulosic-based fuel blendstocks production. It is concluded that recovery and fractionation strategies (e.g., quenching and stripping) can maximize process yields and add values in the efficient conversion pathways. Effective quenching can stop secondary free radical reactions and improve liquid yields over gas and solid yields. Stripping process can improve process yield, catalyst lifespan, and thermal stability. It is further concluded that physicochemical treatments are not as effective as thermochemical treatments, but have advantages of mild operating conditions and potential for integrated solutions in conjunction with other treatments.

09 BIOMASS FUELS↗
DOE OSTI2024

Optimizing tradeoffs implicit during bioenergy crop improvement: Understanding the effect of altered cell wall and sugar content on sorghum-associated pathogenic bacteria

Plant-derived production of renewable fuels and chemicals has the potential to reduce fossil fuel dependency, increase domestic energy security, enhance US farming and agricultural economic opportunities, and reduce greenhouse gas emissions. Realizing the potential of these alternate energy sources necessitates the development of high biomass-yielding crops. To limit competition with the production of food and feed, these specialized crop varieties, many of which will harbor modifications to cell wall structures and display altered carbon partitioning, will be cultivated on marginal land that does not provide ideal growing conditions. Consequently, the plants are anticipated to be more vulnerable to diseases.

09 BIOMASS FUELS↗
DOE OSTI2024

Optimization and purification of magnesium borides fabricated by combustion synthesis and by high-temperature sintering

Hydrogen as a fuel provides several benefits over the use of fossil fuels; however, one challenge in utilizing hydrogen as an energy carrier revolves around its storage. Achieving sufficient volumetric hydrogen density in a storage solution will facilitate hydrogen’s adoption for use in both stationary and mobile applications. Solid-state hydrogen storage provides a promising pathway to solving this problem. However, the hydrogenation of these materials is characterized by slow kinetics and extreme thermodynamic conditions. Magnesium borohydride (Mg(BH4)2) is a promising material in hydrogen storage due to its reversible properties and a theoretical hydrogen capacity of 14.9 wt.%. To synthesize this material, combustion synthesis of magnesium borides (MgBx) has been implemented with the aim to further lower thermodynamic requirements for direct hydrogenation. A drawback of this process is the potential formation of oxide contaminants, which decrease hydrogenation/dehydrogenation and recyclability performance. The present work focuses on identifying parameters useful for reducing contamination and evaluating potential pathways to the purification of magnesium borides with the goal of improving their quality.

Camarena, Miguel Joaquin↗
DOE OSTI2017

Design and modeling for hydrogen fuel cell conversion of parcel delivery trucks

With an emphasis on reducing fossil fuel consumption and emissions, major delivery service corporations have begun deploying and operating Class 6 zero emissions delivery vans. Battery electric delivery vans are currently available, but their range is a limitation and doesn’t offer flexibility in assigning vehicles to delivery routes. Fuel cell hybrid delivery vans offer a zero emissions solution with extended range and route planning flexibility. In a competitive market, a delivery van design that trades the fuel cell and battery size, performance, and cost is critical to the success and adoption of these zero emissions trucks. This paper outlines a systematic approach using real world operational data and duty cycles to properly size the fuel cell and battery for a zero emissions hybrid delivery van. The approach uses real world GPS data to define routes and duty cycles, along with vehicle powertrain models to assess performance capabilities. Furthermore, the study suggests that a 32 kW fuel cell power system paired with a 49 kWh battery energy storage system and 15 kg of hydrogen storage is a desired option to complete the most demanding parcel and delivery duty cycles.

08 HYDROGEN↗
DOE OSTI2024

Laminar burning speed measurements for hydrogen enhanced natural gas in a spherical chamber

This work presents laminar burning speed measurements for natural gas and hydrogen enhanced natural gas in gas-turbine conditions using a spherical combustion chamber at an initial temperature and pressure of 296 K and 10 atm, respectively. Natural gas and hydrogen fuels were prepared and mixed with a synthetic air mixture comprised of oxygen, nitrogen, and helium. The experimental data collected during 10 atm ignition was used to predict the LBS at elevated pressures (30 bar) to approach gas-turbine operating conditions. A significant enhancing effect of combustion pressure on LBS was observed, as well as H2 dilution. This work provides fundamental combustion data relevant to sustainable fuels to reduce economic dependence on carbon-based fossil fuels and reduce anthropogenic climate effects through 2050.

Yovino, Louis↗
NASA NTRS1988

Evidence for a single impact at the Cretaceous-Tertiary boundary from trace elements

Not only meteoritic elements (Ir, Ni, Au, Pt metals), but also some patently non-meteoritic elements (As, Sb) are enriched at the K-T boundary. Eight enriched elements at 7 K-T sites were compared and it was found that: All have fairly constant proportions to Ir and Kilauea (invoked as an example of a volcanic source of Ir by opponents of the impact theory) has too little of 7 of these 8 elements to account for the boundary enrichments. The distribution of trace elements at the K-T boundary was reexamined using data from 11 sites for which comprehensive are available. The meteoritic component can be assessed by first normalizing the data to Ir, the most obviously extraterrestrial element, and then to Cl chondrites. The double normalization reduces the concentration range from 11 decades to 5 and also facilitates the identification of meteoritic elements. At sites where trace elements were analyzed in sub-divided samples of boundary clay, namely, Caravaca (SP), Stevns Klint (DK), Flaxbourne River (NZ) and Woodside Creek (NZ), Sb, As and Zn are well correlated with Ir across the boundary implying a common deposition mechanism. Elemental carbon is also enriched by up to 10,000 x in boundary clay from 5 K-T sides and is correlated with Ir across the boundary at Woodside Creek. While biomass would appear to be the primary fuel source for this carbon a contribution from a fossil fuel source may be necessary in order to account for the observed C abundance.

Gilmour, Iain↗
DOE OSTI2017

Biorefinery for combined production of jet fuel and ethanol from lipid‐producing sugarcane: a techno‐economic evaluation

Abstract Replacing fossil fuels with an economically viable green alternative at scale has proved most challenging in the aviation sector. Recently sugarcane, the most productive crop on the planet, has been engineered to accumulate lipids. This opens the way for production of far more industrial vegetable oil per acre than previously possible. This study performs techno‐economic feasibility analysis of jet fuel production from this new cost efficient and high yield feedstock. A comprehensive process model for biorefinery producing hydrotreated jet fuel (from lipids) and ethanol (from sugars), with 1 600 000 MT yr −1 lipid‐cane processing capacity, was developed in SuperPro Designer. Considering lipid‐cane development is continuing for higher oil concentrations, analysis was performed with lipid‐cane containing 5%, 10%, 15%, and 20% lipids. Capital investments for the biorefinery ranged from 238.1 to 351.2 million USD , with jet fuel capacities of 12.6–50.5 million liters (correspondingly ethanol production of nil to 102.6 million liters). The production cost of jet fuel for different scenarios was estimated $0.73 to $1.79 per liter ($2.74 to $6.76 per gal) of jet fuel. In all cases, the cost of raw materials accounted for more than 70% of total operational cost. Biorefinery was observed self‐sustainable for steam and electricity requirement, because of in‐house steam and electricity generation from burning of bagasse. Minimum fuel selling prices with a 10% discount rate for 20% lipid case was estimated $1.40/L ($5.31/gal), which was lower than most of the reported prices of renewable jet fuel produced from other oil crops and algae. Along with lower production costs, lipid‐cane could produce as high as 16 times the jet fuel (6307 L ha −1 ) per unit land than that of other oil crops and do so using low‐value land unsuited to most other crops, while being highly water and nitrogen use efficient.

09 BIOMASS FUELS↗