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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

CACTUS: CO 2 Aerogel Capture Towards Utilization and Sequestration

The CACTUS project aimed to develop a novel solid sorbent and sorption module prototype for direct air capture (DAC) of carbon dioxide, by a moisture-swing adsorption (MSA) mechanism. Because MSA uses changes in humidity, not temperature to switch the sorbent from capturing CO 2 to releasing concentrated CO 2 it is > 4X more energy-efficient than the thermal swing process. The goal was to develop a sorbent with a CO 2 capture capacity of 1 mmol CO 2 /g sorbent (or 0.75 mmol CO 2 /g structured sorbent), at a projected scaled cost of < $\$$15/kg sorbent and demonstration of a path to < $\$$100/ton CO 2 . At the end of the project, we achieved 0.8 mmol CO 2 /g sorbent powders, 0.37 mmol CO 2 /g structured sorbent (50% of target), at a projected cost of $\$$29/kg sorbent and an estimated cost of $\$$160/ton CO 2 . The key innovation was SRI’s patented polymer aerogel synthesis platform, which was adapted to produce a nanoporous aerogel with a high density of CO 2 -adsorbing quaternary ammonium groups. This research discovered a new ammonium polymer sorbent and identified a chemical path for its fabrication. The new process solved the monomer immiscibility challenge encountered with the initial method (ammonium is hydrophilic and the crosslinker is hydrophobic). The team fabricated structured sorbent sheets consisting of a non-woven porous substrate impregnated with ammonium polymer and demonstrated its operation in custom made breakthrough test setup MSA DAC built at SRI, and which operates similarly to the envisioned large-scale CO 2 capture plant, to provide data for techno-economic analysis (TEA). TEA sensitivity analysis indicated that ∼$\$$100/ton CO 2 can be achieved if the target capacity of 0.75 mmol CO 2 /g structured sorbent is met. Also identified routes to decrease sorbent manufacturing cost to ∼$\$$19/kg by reducing amounts and recycling the organic solvents. More work is needed on transitioning process manufacturing from powders (which showed a capacity of up to 0.8 mmol/g sorbent) to structured sheets which showed a capacity of 0.37 mmol CO 2 /g structured sorbent (or 0.44 mmol/g sorbent if one excludes the inert porous substrate). This is likely due to different micro/nano-structure of the sorbent and material processing constraints at the laboratory scale. Sorbent cycling studies (> 100 cycles) are needed to investigate its performance stability over time.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Transformational Sorbent-Based Process for a Substantial Reduction in the Cost of CO 2 Capture

InnoSepra’s project, “Transformational Sorbent-Based Process for a Substantial Reduction in the Cost of CO 2 Capture,” utilized computational tools, materials characterization, and lab and pilot-scale testing to optimize previously identified materials to determine their performance under post-combustion capture conditions. InnoSepra utilized the test results to determine the energy required for regeneration and to develop a process design/analysis to demonstrate the application of developed materials for post-combustion capture. A techno-economic analysis was performed to fully assess the potential of the materials for post-combustion capture. InnoSepra also updated the State Point Data Table and completed the environmental, health, and safety (EH&S) Risk Assessment. The InnoSepra CO 2 capture technology has the potential for a significant reduction in the CO 2 capture cost for the power plant and industrial flue gases.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Analysis of energetics and economics of sub-ambient hybrid post-combustion carbon dioxide capture

Adsorption of CO 2 from post-combustion flue gas is one of the leading candidates for globally impactful carbon capture systems. In this report, work focused on understanding the opportunities and limitations of sub-ambient CO 2 capture processes utilizing a multistage separation process. A hybrid process design using a combination of pressure-driven separation of CO 2 from flue gas (e.g., adsorption- or membrane-based separation) followed by CO 2 -rich product liquefaction to produce high-purity (>99%) CO 2 at pipeline conditions is considered. The operating pressure of the separation unit is a key cost parameter and also an important process variable that regulates the available heat removal necessary to reach the sub-ambient operating conditions. The economic viability of applying pressure swing adsorption (PSA) processes using fiber sorbent contactors with internal heat management was found to be most influenced by the productivity of the adsorption system, with productivities as high as 0.015 mol CO2 /kg sorb -1 sec -1 being required to reduce costs of capture below $60/ton CO 2 captured. This analysis was carried out using a simplified two-bed process, and thus there is opportunity for further cost reduction with exploration of more complex cycle designs. Three exemplar fiber sorbents (MIL-101(Cr), UiO-66, and zeolite 13X) were considered for application in the sub-ambient process of PSA unit. Among the considered sorbents, zeolite 13X fiber composites were found to perform better at ambient temperatures as compared to sub-ambient. MIL-101(Cr) and UiO-66 fiber composites had improved purity, recovery, and productivity at colder temperatures reducing costs of capture as low as $61/ton CO 2 . Future economic improvement could be achieved by reducing the required operating pressure of the PSA unit and pushing the Pareto frontier closer to the final pipeline requirement via a combination of PSA cycle design and material selection.

42 ENGINEERING↗
DOE OSTI2021

Solvent Impregnated Polymers Loaded with Liquid-Like Nanoparticle Organic Hybrid Materials for Enhanced Kinetics of Direct Air Capture and Point Source CO 2 Capture

Hybrid CO 2 capture materials, solvent impregnated polymers (SIPs), are developed based on a simple and scalable encapsulation technique to enhance CO 2 capture kinetics of water-lean solvents with high viscosity. Liquid-like nanoparticle organic hybrid materials functionalized with polyethylenimine (NOHM-I-PEI) are incorporated into a shell material and UV-cured to produce gas-permeable solid sorbents with uniform NOHMs loading (NPEI-SIPs). The CO 2 capture kinetics of NPEI-SIPs show a remarkable 50-fold increase compared to that of neat NOHM-I-PEI due to a large increase in the NOHMs-CO 2 interfacial surface area provided by the SIP design. The optimum NOHM-I-PEI loading and sorption temperature are found to be ≈49 wt% and 50 °C, respectively, and NPEI-SIPs exhibit great thermal stability over 20 CO 2 capture/sorbent regeneration temperature swing cycles. The pseudoequilibrium CO 2 loadings of NPEI-SIPs under humid conditions are as high as 3.1 mmol CO 2 g -1 NPEI - SIPs for 15 vol% CO 2 (postcombustion capture) and 1.7 mmol CO 2 g -1 NPEI - SIPs for 400 ppm (direct air capture). Overall, these findings suggest that NPEI-SIPs can effectively capture CO 2 from a wide range of CO 2 concentrations including direct air capture while allowing the flexible design of CO 2 capture reactors by combining the benefits of liquid solvents and solid sorbents.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High-Performance, Hybrid Polymer Membrane for Carbon Dioxide Separation from Ambient Air

The Department of Energy (DOE) seeks to develop carbon capture materials specifically tailored for Direct Air Capture (DAC) processes. Related to this, they require recipients to develop novel DAC materials such as: solvents, membranes, or sorbents that demonstrate high affinities or capacities for carbon dioxide (CO2) at concentrations typically available in air and at near ambient conditions. Toward this, InnoSense LLC (ISL) is developing High-Performance, Hybrid Polymer Membranes (HypoMemTM) for Carbon Dioxide Separation from Ambient Air. HypoMem consists of two major layers. The first layer is the active layer which contains the active ingredients that help to separate CO2 from ambient air. The second is the support layer that provides good mechanical support to have a free-standing membrane without interfering with the properties of the active layer.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

The status and prospects of materials for carbon capture technologies

In order to combat climate change, carbon dioxide (CO 2 ) emissions from industry, transportation, buildings, and other sources need to be captured and long-term stored. Decarbonization of these sources requires special types of materials that have high affinities for CO 2 . Potassium hydroxide is a benchmark aqueous sorbent that reacts with CO 2 to convert it into K 2 CO 3 and subsequently precipitated as CaCO 3 . Another class of carbon capture materials is solid sorbents that are usually functionalized with amines or have natural affinities for CO 2 . The next wave of materials for carbon capture under investigation includes activated carbon, metal–organic frameworks, zeolites, carbon nanotubes, and ionic liquids. In this issue of MRS Bulletin, some of these materials are highlighted, including solvents and sorbents, membranes, ionic liquids, and hydrides. Other materials that can capture CO2 from low concentrations of gas streams, such as air (direct air capture) are also discussed. Also covered in this issue are machine learning-based computer algorithms developed with the goal to speed up the progress of carbon capture materials development, and to design advanced materials with high CO 2 capacity, improved capture and release kinetics, and improved cyclic durability.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Transformational Molecular Layer Deposition Tailor-Made Size-Sieving Sorbents for Post-Combustion CO 2 Capture

This report summarizes the carbon capture research and development conducted by The State University of New York at Buffalo (UB), University of South Carolina (USC), GTI Energy (GTI), and Rensselaer Polytechnic Institute (RPI) for U.S. Department of Energy (DOE) project DE-FE0031730 titled “Transformational Molecular Layer Deposition Tailor-made Size-Sieving Sorbents for Post-Combustion CO 2 capture.” The objective of this project was to develop a transformational molecular layer deposition (MLD) tailor-made size-sieving sorbent integrated with a pressure swing adsorption (PSA) cycle schedule that can be installed in new or retrofitted into existing pulverized coal (PC) power plants for CO 2 capture with a cost of electricity at least 30% lower than a supercritical PC power with CO 2 capture, or approximately $\$$30 per tonne of CO 2 captured, and with it being ready for demonstration by 2030.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

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↗
DOE OSTI2021

Direct Air Capture of CO2 (DAC) [Tech Snapshot]

Researchers at Los Alamos have extensive capabilities in design, testing and optimization of: (1) new capture materials based on membrane separation, amine and other solvent and sorbent separation, and porous materials; (2) biological capture methods, particularly algae and plants; (3) full-scale systems using science-based virtual learning; and (4) system performance under specific meteorological conditions, impacts of CO2 capture via atmospheric data and simulations, and availability of energy and storage capacity. The goal for Los Alamos is advancing our physical technologies and engineered systems approaches from the development phase to a minimal viable product in the energy sector for commercial purposes. Los Alamos is seeking strategic commercialization partners to work with us in advancing these capabilities and technologies for commercial viability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Polyamine phosphorus dendrimer materials for carbon dioxide capture

The present disclosure provides novel solid sorbents synthesized by the reaction of polyamines with polyaldehyde phosphorous dendrimer (P-dendrimer) compounds. The sorbents are highly stable and exhibit rapid reaction kinetics with carbon dioxide, making the sorbents applicable for carbon capture, and can be easily regenerated for further use. The material is stable to aqueous and organic media, as well as strong acid and bases. The sorbent maintains full capacity over extended use. The material can be used for CO2 capture from pure CO2 streams, mixed gas streams, simulated flue gas, and ambient air. Additionally, the material can be adhered to surfaces for reversible CO2 capture applications outside of bulk particle-based processes.

Thompson, III, Samuel John↗
DOE OSTI2021

Dual function materials (Ru+Na 2 O/Al 2 O 3 ) for direct air capture of CO 2 and in situ catalytic methanation: The impact of realistic ambient conditions

Here a dual function material (DFM) comprised of 1% Ru, 10% Na 2 O/γ–Al 2 O 3 was studied for combined direct air capture (DAC) of CO 2 and catalytic methanation in a temperature swing operation. In the newly proposed operation, the DFM captures CO 2 (400 ppm) from air at ambient conditions. The material is then heated in H 2 to a temperature sufficient for catalytic conversion of the captured CO 2 to renewable natural gas. In this study, we demonstrate high CO 2 adsorption capacity and rates at ambient conditions (25 °C); the adsorbed CO 2 is then successfully catalytically methanated upon heating in H 2 . Adsorption was also carried out in humid conditions, more closely simulating ambient air. Adsorption and methane production were greatly improved with stable initial performance. The rate of adsorption is shown to be flowrate-dependent, which is critical for future reactor design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Simulated moving bed system for CO2 separation, and method of same

A system and method for separating and/or purification of CO2 gas from a CO2 feed stream is described. The system and method include a plurality of fixed sorbent beds, adsorption zones and desorption zones, where the sorbent beds are connected via valve and lines to create a simulated moving bed system, where the sorbent beds move from one adsorption position to another adsorption position, and then into one regeneration position to another regeneration position, and optionally back to an adsorption position. The system and method operate by concentration swing adsorption/desorption and by adsorptive/desorptive displacement.

Elliott, Jeannine Elizabeth↗
DOE OSTI2023

Insights into the Oxidative Degradation Mechanism of Solid Amine Sorbents for CO 2 Capture from Air: Roles of Atmospheric Water

Direct air capture (DAC) processes for extraction of CO 2 from ambient air are unique among chemical processes in that they operate outdoors with minimal feed pretreatments. Here, the impact of humidity on the oxidative degradation of a prototypical solid supported amine sorbent, poly(ethylenimine) (PEI) supported on Al 2 O 3 , is explored in detail. By combining CO 2 adsorption measurements, oxidative degradation rates, elemental analyses, solid-state NMR and in situ IR spectroscopic analysis in conjunction with 18 O labeling of water, a comprehensive picture of sorbent oxidation is achieved under accelerated conditions. Here we demonstrated that the presence of water vapor can play an important role in accelerating the degradation reactions. From the study we inferred the identity and kinetics of formation of the major oxidative products, and the role(s) of humidity. Our data are consistent with a radical mediated autooxidative degradation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Techno-Economic Analysis for GTI's Compact Hydrogen Generator

A technoeconomic analysis of the compact hydrogen generator compared to a traditional steam methane reformer (SMR) was performed for both processes with and without carbon capture. The project goal for the technoeconomic analysis was to demonstrate a minimum of 20% lower CAPEX and 15% lower levelized cost of hydrogen compared to SMR with and without carbon capture. GTI obtained baseline capital and costs for the SMR with and without and methodology to calculate the levelized cost of hydrogen from an IEAGHG Technical Report: 2017-02 Techno-Economic Evaluation of SMR Based Standalone (Merchant) Hydrogen Plant with CCS. This methodology was then applied to GTI’s compact hydrogen generator using direct material costs previously obtained from a reputable engineering procurement and construction company, CB&I Howe-Baker. The analysis was performed for plants producing 90MMSCFD (million standard cubic feed per day) of hydrogen. Direct material costs were converted to total installed costs and total capital requirements using the same multiplying factors for both processes. We have found that the direct materials cost of the compact hydrogen generator is less than half the direct materials cost required for SMR without capture, and about one quarter the direct materials cost of SMR with carbon capture. This low materials cost translates into a significant CAPEX savings and lower levelized cost of hydrogen that exceed the goals of the techno-economic assessment. We have found that the CHG has a 43% lower installed cost and capital requirement compared to SMR without capture, that results in a levelized cost of hydrogen that is 19% lower than SMR. When 90% CO2 capture is added to the plants, the advantages is even better. The CHG has a 51% lower installed and capital requirement compared to SMR with capture, resulting in a 28% lower levelized cost of hydrogen. A sensitivity analysis was performed and showed natural gas feedstock cost and discount rate to be the main contributors to hydrogen price sensitivity. Given these significant cost advantages, GTI is encouraged to continue to develop the technology and market the economic advantages as well as the efficiency gains and ability to inherently capture CO2.

08 HYDROGEN↗
DOE OSTI2024

The carbon challenge: Design, synthesis, and chemisorption behavior of solid sorbents in direct air capture of carbon dioxide

Direct air capture (DAC) of CO 2 is a promising solution for reducing the carbon footprint through "negative emission" technology. However, the low CO 2 concentration (~400 ppm) and the dynamic nature of DAC processes present challenges in designing effective sorbent systems. Recent advancements in material design and structural engineering have led to the development of high-performance solid sorbents, offering a more stable, safe, and energy-efficient alternative to traditional liquid CO 2 capture methods. This review highlights progress in solid sorbent-based DAC, focusing on amine-modified materials, hydrogen-bonded frameworks, and ionic liquid-engineered scaffolds. The discussion covers design principles, synthesis methodologies, and their impact on CO 2 chemisorption, comparing the advantages and limitations of each approach. Characterization techniques, especially operando methods and computational tools, are reviewed to understand sorbent behavior during CO 2 integration and release. The reaction pathways and interaction mechanisms of these sorbents with CO 2 are analyzed to guide future design. Additionally, the CO 2 chemisorption behaviors, including capacity, sorption kinetics, recyclability, and durability in the presence of gaseous impurities and under humid conditions will be evaluated and compared. Further, the review offers unique insights into the physical properties, chemical structures, and surface engineering effects of these sorbents, based on comprehensive characterization and evaluation techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ultra-Low SWaP CO 2 Sensing for Demand Control Ventilation (Final Report)

In this project PARC and Energy ETC aimed to develop an ultra-low cost, size, weight, and power (SWaP) printed CO 2 sensor system for occupancy detection to enable Demand Control Ventilation (DCV) on a per-room basis. The CO 2 sensor technology is based on the temperature variation when CO 2 reversibly physisorbs to a highly conductive and high surface area sorbent surface, and is compatible with integration with PARC innovations in printed sensors and flexible electronics, for which PARC is a globally leading research center. The printed CO 2 sensor itself is designed to be compatible with PARC’s “peel-and-stick” platform of ultra-low power, low-cost, distributed sensors, and to facilitate real-time DCV based on overall indoor air quality (IAQ). Previously, PARC has developed flexible hybrid electronics (FHE) compatible materials to measure humidity, temperature, light, strain, and gases such as carbon monoxide, methane, ammonia, and hydrogen sulfide. Through this project, PARC developed FHE-compatible materials to measure CO 2 . Thus, with one <$15 FHE “peel-and-stick” based sensor node, a building management system (BMS) will be able to capture a complete picture of the indoor environment. This includes IAQ, light, temperature, and other comfort factors that impact building operations. Combined with optimized DCV, this low-cost sensor capability can be a key enabler of annual primary energy savings of ~ 0.3-0.4 Quad in commercial buildings while ensuring healthy IAQ. Energy ETC is a leader in supplier-agnostic BMS deployments and will design the commissioning and deployment procedures to maximize system interoperability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Reactive Capture and Conversion of Carbon Dioxide to Methanol with ZnZrO 2 and Alkali-Promoted Mg 3 AlO x Mixed Oxide Catalytic Sorbents

Reactive capture and conversion (RCC) explores the use of a single-unit process to capture CO 2 and produce a product, in this case, methanol (MeOH). In this study, different configurations of a catalytic sorbent (CS) composed of ZnZrO 2 catalyst and Mg 3 AlO x sorbent with and without alkali modification are evaluated for CO 2 adsorption, steady-state catalysis with cofed CO 2 and H 2 , and transient RCC performance. A catalyst composed of a physical mixture of Mg 3 AlO x with ZnZrO 2 resulted in a slight increase in CO 2 uptake, with a low impact on the catalytic activity and RCC of the materials compared to ZnZrO 2 alone. In contrast, Na impregnation significantly increased the level of CO 2 uptake from 0.28 mmol/g (ZnZrO 2 alone) to 0.6 and 1.1 mmol/g for the CS with Na on the catalyst or Mg 3 AlO x , respectively. However, Na impregnation reduced the CO 2 conversion rate and MeOH selectivity during steady-state cofeed experiments at 300 °C and 6 bar. In contrast to steady-state catalysis conditions, RCC, which is a cyclic capture and conversion process, creates dynamic CO 2 and H 2 surface coverages, favoring CH 4 in the early stages of the conversion step and then CO and MeOH as the catalyst CO 2 coverage reduces. The highest MeOH productivity during RCC was achieved with CS that balanced the CO 2 uptake with only moderate catalyst rate reductions caused by Na addition. The optimal material, ZnZrO 2 +10%Na/Mg 3 AlO x , achieved a CO 2 uptake of 0.8 mmol/g and a MeOH productivity of 0.5 mmol/g with 100% selectivity at 260 °C and 6 bar during RCC. This marks the highest RCC MeOH productivity reported to date, although the process needs further optimization and even with optimization, may remain impractical. The results further demonstrate that optimization of catalytic sorbents under steady-state flow conditions does not easily correlate to transient capture and conversion cycles for methanol synthesis from CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗