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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling Co2 Flow Through Faulted/Fractured Reservoirs Using Tedfm in Corner-Point Grids

Interest in underground CO2 storage has increased significantly over the last decade, driven by growing concern about global warming and rising levels of greenhouse gases in the atmosphere. Given that CO2 accounts for 80% of these greenhouse gases, carbon capture, utilization, and storage (CCUS) is considered one of the most direct approaches to achieving the net-zero carbon target. Although CO2 storage in deep saline aquifers and depleted gas reservoirs has been studied extensively, most studies use commercial simulators that model faults/fractures by simply modifying the transmissibility in the direction perpendicular to the fault surfaces. This work shows that this simplistic approach ignores the accelerated flow in the directions parallel to the fault plane, leading to significantly higher leakage along the fault surface. To accurately model CO2 flow in faulted reservoirs, we present the first transient embedded discrete-fracture model for corner-point grids (tEDFM-CPG). By comparing the tEDFM-CPG results with high-resolution reference solutions, we show that this approach is accurate and efficient at predicting CO2 flow in faulted/fractured reservoirs. In conclusion, this work presents the use of mixed reality (MR) to efficiently observe CO2 gas migration in the interior of these corner-point grid systems.

02 PETROLEUM↗
DOE OSTI2024

Jurassic deserts and CO2 sequestration: the Glen Canyon Group in Utah, western USA

The Early Jurassic in the Western Interior of USA consisted of an extensive desert environment, including one of the largest ergs in geologic history. The Navajo erg has been estimated to extend as much as 2.2 million square kilometers, though the preserved extent is somewhat smaller. The Mesozoic was a global greenhouse phase, and during the Jurassic this region experienced fluctuations in climate aridity, reflected in the depositional environment. In addition to extensive dunefields, interdune deposits (lakes and oases) and fluvial systems are also documented within formations of the Glen Canyon Group. The Navajo Sandstone has received much attention as a potential CO2 injection target in recent years. It consists of thick, aeolian sandstones with high porosity and permeability, occurs in both outcrop and subcrop, and has industry data. Mapping of stratigraphic and sedimentologic changes within the Navajo Sandstone has been undertaken in localized areas, however piecing together these studies and developing regional models for CO2 potential has not received as much attention. There is significant industry data across Utah, and utilizing this data to pivot from a focus on hydrocarbon extraction to CO2 injection is an effective way to move forward with green energy, and to meet carbon neutral emission goals. Using legacy well data, we are developing a more comprehensive study of the Navajo Sandstone as a potential CO2 reservoir, in addition to identifying other zones of interest within the Glen Canyon Group, and improving understanding of stratigraphic complexity within one of the most significant aeolian systems in the world.

Mahon, Elizabeth↗
DOE OSTI2024

Numerical Simulation of Biogenic Fluid Catalytic Cracking (BFCC) Regenerators at Different Scales with MFIX-Exa

Catalytic Fast Pyrolysis (CFP) is a process that converts biomass into liquid intermediates suitable for transportation fuels by rapidly heating it in the presence of a catalyst, aiming to produce stable oils with reduced oxygen content. During CFP, the catalyst can become deactivated by the accumulation of coke, a carbon-rich deposit formed from the decomposition of biomass components. Unlike in petroleum refining, regenerating coked catalysts from biomass pyrolysis requires specific approaches due to the different chemical nature of the coke formed. An experimental technique, Temperature Programmed Oxidation (TPO), was used to study the de-coking process by gradually increasing temperature while monitoring the production of CO and CO2, which provides data for kinetic modeling. Utilizing data from TPO experiments, coke combustion kinetic model was developed to describe the rate of coke removal at different temperatures, allowing for simulation of regeneration processes. Then kinetic model is integrated into MFIX-Exa for the simulation of Biogenic Fluid Catalytic Cracker (BFCC) regenerator at different scales, enabling analysis of catalyst flow, temperature distribution, and regeneration efficiency under various operating conditions.

biogenic fluid catalytic cracking↗
DOE OSTI2026

Multi-Scale Modeling and Prototype Development for Electrochemical CO2 Reduction (CRADA Final Report)

In this CRADA project, Lawrence Livermore National Laboratory, Stanford University, SLAC National Laboratory, and TotalEnergies collaboratively executed a multidisciplinary investigation of electrochemical reduction of CO2 to produce sustainable fuels and chemicals. Overall, the project led to an increased understanding of the fundamental processes involved in CO2 electrolysis, from the atomistic scale to the full electrolyzer device scale, ultimately leading to design guidelines for CO2 electrolyzers that will help in their future commercialization. As the model systems, Ag- and Cu-based catalysts were investigated in various forms depending on the electrochemical platform that was utilized to study the activity, selectivity, and durability towards electrochemical CO2 reduction. By employing experimental, theoretical, and computational techniques, the project team experimentally validated multi-physics models, evaluated the experimental levers that lead to increased electrolyzer reaction selectivity and energy efficiency, and used computational optimization to design higher performance electrodes. The learnings of this project were extensively documented in publicly available peer-reviewed journal publications and conference presentations, which serve as a foundation for further work to build from.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multistep catalytic abiotic CO2 conversion to sugars through C1 intermediates

Carbon dioxide (CO2) to multicarbon (Cn) upgrading for commodity chemicals, fuel production, or artificial food synthesis using renewable energy input is a golden target for researchers in sustainable carbon emission reduction. Here, we explore and analyze a flexible modular roadmap for the task, utilizing sequential electro-, photo-, and organocatalysis to develop a strategy for CO2 conversion using the key and elusive formaldehyde precursor of interest for sugar generation. We study the electrochemical carbon dioxide reduction reaction to methanol in a flow cell and its discontinuous photooxidation to formaldehyde (PMOR) with excellent selectivity. Utilizing a highly active N-heterocyclic carbene catalyst enables tunable generation of C4-C6 aldoses without undesirable byproducts, with carbon conversion yield reaching 60 to 80% for desired pentose, tetrose, and triose product mixtures and over 20% for hexose. This approach presents a roadmap for CO2 valorization, aiming to bridge carbon waste streams with sustainable sugar synthesis and opening broad avenues for green chemical production.

CO2 valorization↗
DOE OSTI2025

NETL Energy Related Diagrams 2024 Edition [Slides]

This illustrative report uses Sankey type diagrams to illustrates energy use and CO 2 generation within the U.S. for the year 2024. The diagrams show primary energy consumption from coal, natural gas, nuclear, petroleum, and renewables for the electric, residential, commercial, industrial, and transportation sectors; fossil fuel trade/domestic production; and CO 2 generation by fuel and end use.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Maximizing Marine Carbon Removal by Coupling Electrochemical and Biological Methods

Integrated development of emerging marine decarbonization strategies offers the possibility of lowering CO2 removal costs and enabling their widespread deployment. In this study we examine the feasibility and benefits of coupling electrochemical and biological marine carbon removal strategies. Bipolar membrane electrodialysis (BPMED) is used to generate acid and alkalinity from seawater and electricity, and the alkalinity is returned to the ocean for indirect CO2 removal from the atmosphere, but the acid stream is a waste product. Considering the large-scale of CO2 removal necessary, the acid storage, neutralization, and disposal have prohibitive costs and carbon footprint. Here we investigate the feasibility to valorize the acid stream to enhance the growth and CO2 uptake through photosynthesis in the fast-growing marine phytoplankter Picochlorum celeri. When added to active algae cultures, the BPMED-generated acidified seawater alters the carbonate-bicarbonate equilibrium thereby increasing the bioavailability of CO2 and the observed growth rates. Additions of up to 2 mM H+ from BPMED effluent streams increased algal productivity up to 3-fold. A high-level analysis conducted based on experimental data to estimate the potential of sequestered CO2 emissions when compared to conventional commercial means of acid utilization or disposal, is estimated to be ~30 kgCO2 / kgacid. Through further development and optimization in terms of choice of algal species, growth conditions, acid addition rates, etc. the combined electrochemical-biological approach has the potential to achieve higher net CO2 removal.

carbon dioxide, marine, marine algae↗
DOE OSTI2024

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↗
DOE OSTI2026

Trash to Treasure: Waste Carbon into Construction Materials

Mineralization of industrial waste and earth-abundant CO2 into value-added products is a powerful method of utilizing domestic resources to produce value from waste. Carbonate minerals formed from Ca and Mg rich waste streams are key constituents in cement and concrete, which are in demand at the gigaton-scale every year. While thermodynamically favorable, CO2 mineralization is hindered by slow kinetics, and traditional thermochemical routes are too expensive to scale. Here, we demonstrate the advantages of an electrochemical method of waste valorization, which eliminates this limitation and improves kinetics. We highlight this method's ability to initiate crystallization under favorable local conditions, producing carbonates from mining waste at mildly acidic pH. We highlight the effects of key constituents in mining waste on the mineralization process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Computational Modeling of CO2 Capture By Novel PIM-RU in a Fluidized Bed Riser

The interest in carbon capture, storage, and utilization (CCUS) has increased significantly in the past few decades as it can help mitigate the threat of global warming caused by substantial increase in CO2 emissions due to anthropogenic activities. Although several CO2 capture technologies have been developed, porous solid sorbents, which adsorb CO2 by physisorption, are considered promising candidates for post-combustion CO2 capture because of the easier recovery of adsorbed CO2 and high material stability. Some prominent types of porous solid sorbents are metal-organic frameworks (MOFs), Zeolite, mesoporous silica, and polymer-based sorbents (e.g., polymers with intrinsic microporosity or PIM). Oak Ridge National Laboratory (ORNL) recently developed a novel PIM-based sorbent, referred to here as PIM-RU. The main objective of this work is to investigate the CO2 capture performance of this sorbent using computational fluid dynamics (CFD). While process configuration and reactor design are open questions, a fluidized bed riser was selected as the contactor type for this study.

Aziz, Hossain↗
DOE OSTI2024

Accelerated CO2 Storage Optimization Using Multi-Resolution Fourier Neural Operator at the Illinois Basin Decatur Project (IBDP)

This paper presents a deep learning-based approach for optimizing CO2 injection in carbon capture and storage (CCS) operations. We developed a multi-resolution machine learning model to significantly reduce data generation costs. Utilizing this proxy model, we implemented a multi-objective genetic algorithm to optimize well control during the CO2 injection process. The proposed approach was applied to the Illinois Basin Decatur Project (IBDP), successfully optimizing the CO2 injection schedule based on three key objectives: maximizing the amount of CO2 stored, maximizing sweep efficiency, and minimizing pressure increase. The use of the proxy model accelerated the optimization workflow by two orders of magnitude, while the cost of data generation for the proxy model was reduced by 90% by utilizing a coarse-scale model.

accelerated CO2 storage optimization↗
DOE OSTI2025

Benefits of Dual Fuel Heat Pump Grid-responsive Control: A Model-based Control Optimization Approach Using Building and Equipment Co-simulation

Conventional dual fuel heat pumps lack the intelligent control mechanisms to efficiently manage the switch between heat pump and furnace, leading to sub-optimal energy usage and, in some cases, increased operating costs. To resolve this gap, this study applies optimized control on hybrid heat pumps. With a focus on equipment control strategies, we compare the performances of five spacing heating equipment, including a conventional heat pump (HP), a conventional furnace, a dual fuel heat pump (DFHP) with conventional control, a dual fuel heat pump with smart control, and a novel seamlessly fuel flexible heat pump (SFFHP). While DFHP runs on either gas or electricity at any given moment, SFFHP concurrently consumes gas and electricity by continuously optimizing the proportion of each. In this research, a co-simulation framework is developed by integrating a building envelope model with a physics-based heat pump simulation model to analyze the benefits of grid-responsive controls of DFHP and SFFHP. The model-based optimal controls adjust the operation of the heat pump and gas furnace based on utility price signals and marginal grid emission to minimize utility cost and CO 2 emissions for multiple climate zones, different utility tariffs, and marginal grid emission scenarios. Case studies in Chicago and Los Angeles demonstrate that SFFHP and DFHP, with model-based optimal control, can deliver significant reductions in peak demand, utility cost, and CO 2 emission. In Chicago, SFFHP and smart controlled DFHP yield up to 64.7% and 61.7% utility cost reduction and up to 15.7% and 8.5% CO 2 emission reduction compared to the gas furnace. In Los Angeles, SFFHP and smart controlled DFHP achieve up to 43.6% and 40.1% utility cost reduction and up to 13.8% and 14.1% CO2 emission reduction compared to conventional heat pumps. In conclusion, by leveraging the fuel flexibility nature of dual fuel heat pumps, the model-based control optimization approach makes dual fuel heat pump an attractive option for demand response programs.

Control↗
DOE OSTI2025

FracML: A Machine Learning Based Tool to Quantify Reservoir Scale Fracture Network for CO2 Storage

Poster on “FRACML: A Machine Learning Based Tool to Quantify Reservoir Scale Fracture Network for CO2 Storage” for the CCUS 2025 conference held in Houston, Texas March 3-5, 2025. The accurate characterization of subsurface fracture networks is essential for the secure operation of carbon capture, utilization, and storage (CCUS) projects. A thorough understanding of the spatial distribution of subsurface faults and fractures is crucial for predicting CO2 plume evolution and minimizing risks such as potential leakage into overlying formations or induced seismicity. In this context, robust fracture network quantification plays a pivotal role in reservoir management, providing the data necessary to fine-tune operational parameters, and ensure the environmental and economic viability of CCUS projects. As part of the U.S. Department of Energy’s SMART (Science-informed Machine Learning for Accelerating Real-time Decisions in Subsurface Applications) initiative, we focused on the development and application of a machine learning-based tool (FRACML) designed to quantify and map fracture networks using real-world (non-synthetic) data from an active CO2 injection site. Our objective is to demonstrate the utility of this tool in improving operational efficiency and safety across CCUS sites.

artifical intelligence / machine learning (AI/ML)↗
DOE OSTI2025

Screening analysis of enhanced weathering of igneous rocks and industrial waste materials

Enhanced weathering (EW) is a promising emerging carbon dioxide removal approach that involves harnessing and accelerating the natural weathering process by which atmospheric CO2 passively reacts with exposed alkaline minerals and is removed from the atmosphere. This manuscript reports on a screening level techno-economic analysis of EW. Two primary cases utilizing different sources of alkaline material are considered: (1) utilizing naturally occurring mined igneous rocks, and (2) utilizing industrial waste materials. The modeled EW process encompasses material purchase, comminution, transport, distribution of material on farmland, and measurement, reporting and verification of CO2 removal. Detailed sensitivities are performed to highlight promising scenarios for application. The analysis highlights that utilizing materials with high weathering potential in suitable locations may result in relatively low levelized cost of captured (less than $100 per total tonnes of CO2 captured from the atmosphere). NETL is publishing a detailed and transparent report titled “Enhanced Weathering: Techno-Economic and Life Cycle Screening Analysis” that includes more detail on the screening level techno-economic analysis and includes a life cycle analysis.

Leptinsky, Sarah [NETL Site Support Contractor, Na↗
DOE OSTI2024

Thermally Enhanced Acidity for Regeneration of Carbon Dioxide Sorbent

The thermal regeneration of CO2 sorbent is the most energy-consuming step in the CO2-capturing process. Although the addition of an acid can induce CO2 release, it does not regenerate the sorbent because the acid forms a salt with the basic sorbent and diminishes its capability for capturing CO2. In this work, a novel approach based on thermally enhanced acidity was studied. This approach utilizes an additive that does not affect the sorbent at room temperature, but its acidity significantly increases at elevated temperatures, which assists the thermal release of CO2. M-cresol was added to an aqueous solution of morpholine. The CO2 capture and release of the mixture were compared to those of a control solution without m-cresol. The amounts of carbamate, bicarbonate, and unreacted morpholine were quantitatively determined using 1H NMR and weight analysis. The results showed that m-cresol did not affect the reactivity of morpholine in the formation of carbamate with CO2 at room temperature. At elevated temperatures, the acidity of m-cresol increased according to Van’t Hoff’s equation, which resulted in a significantly higher rate of CO2 release than that of the control. Given the low cost of m-cresol and its derivatives, this approach could lead to practical technology in the near future.

Energy & Fuels↗
DOE OSTI2024

Design, Fabrication, and testing of Direct Air Capture Sorbent modules to increase understanding of trade-offs in pressure drop and capture efficiency

Conference presentation for the work entitled “Design, Fabrication, and testing of Direct Air Capture Sorbent modules to increase understanding of trade-offs in pressure drop and capture efficiency”. In recent years, there has been a growing interest in Direct Air Capture (DAC) of CO2. This technology is gaining attention as a method to enhance the reduction of atmospheric greenhouse gases (GHGs), particularly when used alongside other decarbonization strategies. The route for efficient and net carbon negative DAC is challenging because CO2 in the atmosphere is highly diluted (~400ppm). This work, utilizing 3D printing capabilities for rapid prototyping, presents application-based findings on the design, fabrication, and testing of DAC module form factors that house solid sorbents. The work leverages an experimental rig that can achieve air throughput and velocities approaching that which are anticipated for commercial scales. The tradeoffs of pressure drop, footprint and capture efficiency are discussed for different orientations of a NETL patented sorbent material.

Riley, Jarrett↗
DOE OSTI2024

Process Design and Techno-Economic Analysis of the Modular Staged Pressurized Oxy-Combustion (SPOC) Power Plant for Biomass

This work describes the process design and techno-economic analysis (TEA) of the modular SPOC power plant for biomass firing and coal-biomass co-firing. Two Rankine cycles were considered: a supercritical steam cycle (242 bar, 593°C, 593°C) with 550 MWe net output and a subcritical cycle (166 bar, 566°C, 566°C) with 200 MWe net output. For both cases, 95% carbon capture was modeled, and hybrid poplar biomass was chosen to generate carbon-negative power. In addition, the supercritical 500 MWe case included a 25% biomass co-firing (carbon neutral) case. For both cycles, a 100% Powder River Basin coal firing case was used for comparison purposes. In the SPOC process, oxygen is produced via a cryogenic air separation unit (ASU) and the heat generated from the compression of air is integrated into the steam cycle and utilized for boiler feed water pre-heating. Unique to the SPOC process, the boilers are pressurized and arranged in a series-parallel configuration, with minimized flue gas recirculation. The flue gas is cooled and scrubbed in the direct-contact cooler (DCC) column, and the moisture in the flue gas is condensed, leaving the bottom of the DCC at a sufficiently high temperature such that it can be used for boiler feed water pre-heating, improving plant thermal efficiency. Following drying and purification, CO2 in the flue gas is at the purity required for storage or utilization. The performance data were obtained from process modelling via Aspen Plus®. The stream data from Aspen Plus® were used as an input for the AACE Class 5 cost study. Ultimately, the capital costs, Levelized Cost of Electricity (LCOE), and cost of CO2 captured and avoided were obtained. The HHV efficiency of the carbon negative 550 MWe supercritical SPOC case (34.8%) was clearly above those reported by NETL for the BECCS baseline cases of supercritical pulverized coal with capture (B12B, 31.5%) and the 49% biomass co-firing case with capture (PA3, 29.2%). The HHV efficiency of the carbon-negative subcritical plant is also higher than the subcritical baseline PC plant with capture (case B11B.95) presented by NETL (32% vs 29.7%). The LCOE for the SPOC 100% biomass case was similar to the LCOE for the BECCS 49% biomass with carbon capture case ($147/MWh), and the SPOC carbon neutral case LCOE was lower ($110/MWh) than the cost for the NETL baseline SC coal firing case with 90% carbon capture ($114/MWh).

Magalhaes, Duarte↗