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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Assessment of Amine-Based CO2BOLs for Direct Air Capture

Direct air capture (DAC) technologies extract CO 2 from the atmosphere for CO 2 storage, or utilization. Capturing CO 2 from the air is the most expensive application of carbon capture because CO 2 in the atmosphere is very dilute. There are limited number of CO 2 capture technologies for DAC application. This project aims at developing an energy efficient technology for DAC, leveraging two PNNL’s chemistries (solid and liquid CO 2 capture). Three CO 2 capture sorbents consisting of amine based CO 2 BOLs immobilized in mesoporous silica were designed, synthesized, and tested. These sorbents had ~ 19-23 wt.% amine loadings which is lower than typical amine-based silica sorbents. The surface area and pore volumes of these solid supported CO 2 BOLs are lower compared to those of the pristine silica support. The CO 2 capture performance of these materials was significantly lower than the typical silica supported amines due to low amine loading and higher molecular weight with low amine density. These results show that immobilize CO 2 BOLs in silica are not viable materials for removing CO 2 from ambient air. This project also designed, synthesized at tested liquid solvents for DAC application. Solvent properties that is vapor pressure, CO 2 uptake capacity, kinetics, and viscosity for three novel solvents were evaluated. The CO 2 uptake capacity for one of the most promising amine-based solvent BEPBEGDA was the highest at 13.2 wt% corresponding to 97 mol%. The vapor pressure of the BEPBEGDA solvents were very low at 80 °C compared to other solvents making them suitable for DAC application. The effect of humidity on the CO 2 capture performance of these solvents was evaluated which shows that presence of moisture doesn’t have a negative effect on the CO 2 uptake performance but makes it slightly better. The performances of these solvents were slightly below that of the 0.1M NaOH solution tested under similar conditions. Despite of the slightly lower CO 2 uptake, it is expected that these liquid solvents will have lower regeneration temperature and minimum evaporative losses due their low vapor pressure. Future work will focus on optimization of the liquid solvents for DAC application to improve both CO 2 capture efficiency and capacity without viscosity and vapor pressure increase. Testing of these solvents under DAC conditions using a gas liquid contactor that mimic industrial applications is needed. Solvent cost projection, techno-economic analysis and life cycle analysis are required to evaluate economic viability of this technology.

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

Reducing roughness and improving efficiency of MAPbI3 perovskite solar cells made by high-throughput photonic curing

For perovskite solar cells (PSCs) to be commercially viable, the slow and energy-insufficient thermal annealing step must be eliminated. Among the photo-irradiation methods proposed to replace thermal annealing, photonic curing is the fastest conversion method. Photonic curing delivers short (20 μs to 100 ms) but intense light pulses from a broadband (200-1500 nm) xenon flash lamp, making it the only method to convert perovskite under 20 ms. This processing time can be extrapolated to a roll-to-roll web speed of 40 m/min based on laboratory processing conditions. However, most reported PSCs made by photonic curing under 1 second have inferior performance (~10% PCE). Although SEM images show dense and pinhole-free perovskite films, AFM images indicate secondary wavy features of 500 nm-wide ridge and 80 nm-deep trenches on photonically cured perovskite films, the existence of which correlates with poor device performance. We suggest that this morphology feature is produced by volatile solvent evaporation during the fast photonic curing process. Two approaches have been made to remedy this issue: (1) adding CH2I2 as the third solvent in the conventional DMF-DMSO system and (2) applying a controlled air-blowing step before photonic curing to remove excess solvent further. Combining these two approaches produces photonically- cured perovskite films with a comparable film roughness and device performance. Alkyl halide additives have been reported to enhance PSC performance by modulated solvent-solute interactions and C-X (X = Cl, Br, and I) cleavage. Photonic curing can cleave CH2I2, producing disassociated iodide ions to replenish iodine loss induced by photonic curing, which is confirmed by EDX. As a co-solvent, the high boiling point of CH2I2 can also make the solvent less volatile, reducing surface roughness in photonically cured perovskite films. Additionally, photonically-cured perovskite films have longer PL lifetimes and a higher recombination resistance compared to thermally-annealed counterparts. As a result, we demonstrate that photonic curing is a suitable method to replace thermal annealing in high-throughput PSC fabrication.

14 SOLAR ENERGY↗
DOE OSTI2025

Tuning the Properties of Lignin‐Derived Deep Eutectic Solvents for Biomass Processing

Lignin-derived deep eutectic solvents (DESs) have been investigated as sustainable green media for biomass processing. However, the properties and processability of DESs have not been fully understood with the chemical structures of their constituents for biomass fractionation. Here, in this article, the properties of the phenolic DESs are discussed with different numbers of functional groups, such as –OCH 3 and –CHO in their hydrogen bond donor (HBD) structures. The formation of DES is significantly related to the hydrogen bond between its constituents, identified by nuclear magnetic resonance (NMR) analysis and density functional theory calculation (DFT). Lower viscosity and net basicity of DES are achieved with fewer –OCH 3 on HBD structures, resulting in enhanced processability and fractionation efficiency. The thermal stability of the DES is also influenced by the –OCH 3 and –CHO of HBD, as indicated by its onset temperature. The recyclability of the phenolic DES is confirmed by the fractionation performance of the recycled DES. Understanding the structural impacts of DES constituents on the properties and performance is crucial for designing solvents in biorefinery applications.

Ryu, Jiae [State University of New York (SUNY), Sy↗
DOE OSTI2020

Environmental, Health and Safety Assessment Application of a Heat Integrated, Post-combustion CO2 Capture System Using Monoethanolamine and Hitachi H3-1 Solvent at the E.W. Brown Coal-fired Power Plant

An Environmental Health and Safety (EH&S) Assessment was completed for operation of a pilot scale carbon dioxide (CO2) capture system (CCS) at the Louisville Gas & Electric (LG&E) and Kentucky Utilities (KU) Energy, LLC (LG&E-KU) E. W. Brown Generating Station in Harrodsburg, Mercer County, Kentucky. The pilot system was evaluated using two CO2 capture solvents, monoethanolamine (MEA) and Hitachi’s H3-1 solvent. The purpose of the EH&S Assessment was to determine if there were any unacceptable environmental, health or safety concerns that may prevent operation or environmental permitting of a larger scale pilot scale plant. The assessment included review of process flow diagrams, input and output flow rates for primary materials, literature describing similar processes and chemicals used or created during the process, actual air emission and wastewater test data and air emission calculations. The evaluation included identification of risks related to hazardous chemicals, air emissions, wastewater discharges, solid wastes generated and employee hazards. Most potential EH&S issues that were identified are commonly found and successfully managed at large industrial facilities. No risks were identified that could not be successfully managed or would likely prevent implementation or environmental permitting of the pilot or larger scale plant. Potential exposures and resulting health risks from exposure to low concentrations of nitrosamines generated from degradation of the Hitachi H3-1 and possibly MEA solvents may be a health concern for site workers, but additional investigation is needed to accurately assess this risk. Applying the information gained from operating the pilot plant, performing air emission testing and used solvent testing to a large-scale facility at a commercial coal-fired electric generating plant suggests additional air emission control measures may be necessary to reduce potential site worker health risks and possibly community risks. Depending upon the location and regional air quality, considerable effort may be required to obtain the necessary air permit for construction and operation of a similarly configured large-scale PCCCS facility.

gas separation↗
DOE OSTI2020

Environmental, Health and Safety Assessment Application of a Heat Integrated, Post-combustion CO 2 Capture System Using Monoethanolamine and Hitachi H3-1 Solvent at the E.W. Brown Coal-Fired Power Plant

An Environmental Health and Safety (EH&S) Assessment was completed for operation of a pilot scale carbon dioxide (CO 2 ) capture system (CCS) at the Louisville Gas & Electric (LG&E) and Kentucky Utilities (KU) Energy, LLC (LG&E-KU) E. W. Brown Generating Station in Harrodsburg, Mercer County, Kentucky. The pilot system was evaluated using two CO 2 capture solvents, monoethanolamine (MEA) and Hitachi’s H3-1 solvent. The purpose of the EH&S Assessment was to determine if there were any unacceptable environmental, health or safety concerns that may prevent operation or environmental permitting of a larger scale pilot scale plant. The assessment included review of process flow diagrams, input and output flow rates for primary materials, literature describing similar processes and chemicals used or created during the process, actual air emission and wastewater test data and air emission calculations. The evaluation included identification of risks related to hazardous chemicals, air emissions, wastewater discharges, solid wastes generated and employee hazards. Most potential EH&S issues that were identified are commonly found and successfully managed at large industrial facilities. No risks were identified that could not be successfully managed or would likely prevent implementation or environmental permitting of the pilot or larger scale plant. Potential exposures and resulting health risks from exposure to low concentrations of nitrosamines generated from degradation of the Hitachi H3-1 and possibly MEA solvents may be a health concern for site workers, but additional investigation is needed to accurately assess this risk. Applying the information gained from operating the pilot plant, performing air emission testing and used solvent testing to a large-scale facility at a commercial coal-fired electric generating plant suggests additional air emission control measures may be necessary to reduce potential site worker health risks and possibly community risks. Depending upon the location and regional air quality, considerable effort may be required to obtain the necessary air permit for construction and operation of a similarly configured large-scale PCCCS facility.

gas separation↗
DOE OSTI2021

Extraction, Scrub, and Strip Test Results for the Salt Waste Processing Facility Sample Tank 202

An Extraction, Scrub, and Strip (ESS) test was performed on a sample from Tank-202. The purpose of testing this sample is to determine if the solvent is displaying the correct extraction and stripping behavior with cesium. The ESS test showed acceptable performance of the solvent for extraction, scrub, and strip operations. The extraction D(Cs) measured 14.2, exceeding the required value of 8. This value is consistent with results from previous ESS tests using similar solvent formulations. Similarly, the strip cesium distribution ratios fell within acceptable ranges.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Molar Absorptivities of U(VI), U(IV), and Pu(III) in Nitric Acid Solutions of Various Concentrations Relevant to Developing Nuclear Fuel Recycling Flowsheets

Testing of a co-decontamination (CoDCon) tributyl phosphate (TBP) based solvent extraction flowsheet is being performed to optimize conditions for achieving a target U/Pu ratio in the Pu-containing product. The flowsheet is designed to directly produce a mixture of U and Pu with a U/Pu mass ratio of 7/3. The system is monitored in real time using optical spectroscopy, which allows for control of the U/Pu ratio in the aqueous U/Pu nitrate product. On-line spectrophotometric monitoring of the aqueous stream at the reductive stripping step involves determination of U(VI), U(IV) and Pu(III) concentrations and relies on molar absorptivities of these species in nitric acid at a number of wavelengths corresponding to their peaks’ maxima. The magnitudes of these molar absorptivities are a sensitive function of nitric acid concentration and have to be determined as precisely as possible using an off-line spectrophotometry under well controlled conditions. This step (called training set acquisition) is typically performed not in a high contamination area of radiological glovebox where flow-through cells and other on-line equipment are installed but in a less aggressive environment of a radiological fume hood with much better control of stock solutions quality, dilution factors, optical absorbance scale calibration, etc. This is followed by the calibration transfer between the off-line instrument and the instrument deployed during extraction and stripping runs. This paper reports values of molar absorptivities of U(VI), U(IV), and Pu(III) in nitric acid solution of 0.5 M to 4 M concentration and compares them with available technical literature data. Results of off-line spectrophotometric analysis of selected aqueous grab samples from one of CoDCon runs show satisfactory agreement with total uranium and plutonium concentrations determined in the same samples by ICP-MS.

Sinkov, Sergey I.↗
DOE OSTI2025

Catalytic hydrogenation of HMF to BHMF over copper catalysts

2,5-Bis(hydroxymethyl)furan (BHMF) is a bio-derived building block for polyester production, obtained via the hydrogenation of 5-hydroxymethylfurfural (HMF). First-principles thermodynamic equilibrium calculations indicate that this reaction is not thermodynamically limited under relevant conditions (e.g., 100 °C and high H 2 partial pressure). In this work, crude HMF was employed as the feedstock for BHMF synthesis. Initially, acidic impurities and humins were removed from unrefined HMF through filtration using a packed bed of γ-alumina. A comprehensive study of the filtration process is presented, including filtration kinetics, breakthrough curve analysis, and mathematical modeling. The purified HMF was subsequently hydrogenated over a 10 wt% CuZrO 2 catalyst, using ethanol as the reaction solvent. Batch reactions were first performed for collection of kinetic data to guide the transition to continuous flow operation. Kinetic data was collected in a fixed bed reactor at varying contact time, time on stream, temperature, and HMF concentration. This data was used to develop a kinetic model for HMF hydrogenation. Maximum BHMF production rates were achieved at 130 °C, accompanied by minor formation of byproducts from BHMF ring-opening reactions. The BHMF selectivity was 100 % at 100 °C although with lower reaction rates. Furthermore, catalyst stability tests revealed a loss of up to 50 % in catalytic activity within the first 24 h, likely due to the adsorption of HMF-derived oligomers that are not easily removed by filtration.

Crude HMF filtration↗
DOE OSTI2021

Structure of Diisobutylene Maleic Acid Copolymer (DIBMA) and Its Lipid Particle as a “Stealth” Membrane-Mimetic for Membrane Protein Research

The study of membrane proteins remains challenging, especially in a native membrane environment. Recently, major progress has been made using maleic acid copolymers, such as styrene maleic acid, to purify membrane proteins and study them directly with native lipids associated with the membrane. Additional maleic acid copolymers, such as diisobutylene maleic acid (DIBMA) membrane-mimetic systems, are being developed and found to have improved spectroscopic properties and pH stability. We studied DIBMA and its lipid particles in solution to better understand its assembly, without and with the lipids, to provide an insight regarding how to use it in solution for better membrane extraction. Using small-angle neutron and X-ray scattering (SANS/SAXS), we show that DIBMA organizes into structures of different size scales at various concentrations and ionic strengths. The polymer performed reasonably well under most solvent conditions except in very low concentrations and high-salt conditions that could result in limited interaction with lipids. To explore DIBMA lipid particles as a suitable membrane-mimetic system for neutron scattering studies of membrane proteins, we measured and determined the contrast-matching point of DIBMA to be ~12% (v/v) D 2 O — similar to that of most protiated lipid molecules but distinct from that of regular protiated proteins — providing a natural contrast for separating their neutron scattering signals. Using SANS contrast variation, we demonstrated that the scattering from the whole lipid particle can be annihilated. Further, we determined that a well-defined lipid nanodisc structure with DIBMA was contrast-matched. These results demonstrate that the DIBMA lipid particle is an outstanding “stealth” membrane-mimetic for membrane proteins. The results provide a structural framework for understanding the organization and assembly process of the polymer itself and the lipid molecules. Such an understanding is imperative for structural techniques such as cryo-electron microscopy, nuclear magnetic resonance, small-angle scattering, and other biophysical techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Spatially Mapping the CO 2 Alkaline Sorbent Diffuse Microenvironment Using Operando Raman Spectroscopy

When designing a chemical process, the local balance of transport and kinetics, collectively referred to as the diffuse microenvironment, plays a critical role in performance but is difficult to directly observe. This work demonstrates a method of two-dimensional spatial chemical mapping of the diffuse microenvironment in the context of alkali metal hydroxide direct air capture of carbon dioxide using a custom operando gas-absorption flow cell along with confocal Raman spectroscopy. Notably, we observe the concentration boundary layer near the gas–liquid interface and elucidate the interplay of carbonate and bicarbonate ions within it while inferring local hydroxide depletion through continuum modeling. These first of their kind observations provide a technique to compare the performance of direct air capture solvents based on diffuse microenvironment dynamics while also providing metrics important for air contactor design such as boundary layer thickness. Overall, this work showcases a new experimental platform to study interfacial diffuse microenvironments in and outside of the field of direct air capture of carbon dioxide.

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

FINAL TECHNICAL AND ECONOMIC FEASIBILITY STUDY ON THE APPLICATION OF A HEAT INTEGRATED POST-COMBUSTION CO2 CAPTURE SYSTEM WITH HITACHI ADVANCED SOLVENT INTO EXISTING COAL-FIRED POWER PLANT

This report contains the results of a techno-economic assessment (TEA) conducted of a heat integrated post-combustion CO2 capture process with Hitachi advanced solvent for retrofit into an existing coal-fired power plant (but treated as greenfield plant on cost analysis). The process has been developed by the University of Kentucky Center for Applied Energy (UK CAER). EPRI was chiefly responsible for this analysis, with significant input from WorleyParsons, Hitachi Power Systems America (Hitachi) and UK CAER. The project also involves the design, fabrication, installation, testing, and analyses of a slipstream facility located at L&GE-KU’s E.W. Brown Generating Station to demonstrate the UK CAER carbon capture system that could utilize heat integration with the main power plant. The design, start-up, and baseline of the pilot system was performed with a generic 30 wt% MEA solvent to obtain data for direct comparison with the DOE/NETL Reference Case followed by testing Hitachi’s proprietary solvent H3-1. In this techno-economic analysis, two cases utilizing the UK CAER process are compared, using different approach temperatures and solvent, against the DOE/NETL Reference Case (Case 10). The results are shown comparing the energy demand for post-combustion CO2 capture and the net higher heating value (HHV) efficiency of the power plant integrated with the post-combustion capture (PCC) plant. A levelized cost of electricity (LCOE) assessment was performed showing the costs of the options presented in the study. The key factors contributing to the reduction of LCOE were identified as CO2 partial pressure increase at the flue gas inlet, thermal integration of the process, and performance of the Hitachi H3-1 solvent. Recent UK CAER process pilot-scale testing data and process simualtion data showed that the packing heights of absorber and stripper columns were significantly oversized in the prelimanary TEA (Task 2 of this project) and thus updated in this final TEA for the H3-1 case only. In addition, the solvent make-up cost for H3-1 was updated based on lattest test results. Finally, a heat integration with the main power plant was applied in this final TEA to increase overall energy effciency for both the MEA and H3-1 cases. Additonal reductions in capital and operational costs are expected but not taken into account here. Shorter columns result in reduced pressure drops, smaller blower head and pump hydraulic head requirements. An increase in overall energy efficiency resuls in a decreased size of the power plant, the CCS and a reduced parasitic steam requirement to the CCS. The net efficiency of the UK CAER integrated PC power plant with CO2 capture changes from 26.2% for the Reference Case 10 plant in 2010 revised DOE/NETL baseline report to 27.6% for the MEA options considered, and 29.1% for the options utilizing the Hitachi advanced solvent. The UK CAER Process + Hitachi case also produces an extra 30.9 MW of generation compared to the UK CAER Process + MEA case and total 60.9 MW more than DOE Case 10. LCOE ($/MWh) values are $172.08/MWh for the MEA option and $157.65/MWh for the Hitachi H3-1 solvent cases considered in comparison to $189.59/MWh in January 2012 dollar for the Reference Case 10. The UK CAER CCS process with MEA case lowers energy consumption for CO2 capture to 1340 Btu/lb-CO2 captured as compared to 1540 Btu/lb-CO2 in the Reference Case 10. The UK CAER CCS process with H3-1 case further lowers energy consumption for CO2 capture to 973 Btu/lb-CO2 captured, for an advantage of 36.8% less energy consumption than Case 10. The study also shows 38.1% less heat rejection associated with the carbon capture system from 3398 MBtu/hr (Case 10) to 2104 MBtu/hr for the UK CAER + MEA system. Heat rejection is reduced to 2464 MBtu/hr in the UK CAER + H3-1 case, for a 27.5 % decrease compared to Case 10. Modeling outputs show that in the UK CAER process, the cooling water that is 2-5°C cooler than conventional cooling tower water can be achieved for ambient conditions common to the midwest and other regions. The results from the techno-economic assessment show that the proposed technology can be investigated further as a viable alternative to conventional CO2 capture technology. The evaluation also shows the effect of the critical parameters on the LCOE, with the main variables being the approach temperature and CO2 partial pressure increase at the flue gas inlet. A summary of the key advantages of the UK CAER Process + H3-1 case for LCOE and other economic factors compared to the DOE Case 10 is as follows: • A lower variable operating cost by $1.56/MWh ($1.08MWh less than the UK CAER Process + MEA Case), a 11.7% reduction compared to the DOE Case 10 • A lower COE by $25.32MWh ($13.94/MWh lower than the UK CAER Process + MEA Case), a 16.9% reduction compared to the DOE Case 10 • A lower LCOE by $31.94/MWh ($17.51/MWh lower than the UK CAER Process + MEA Case), a 16.9% reduction compared to the DOE Case 10 • A lower cost of CO2 captured by $18.65/tonne CO2 ($9.44/tonne CO2 lower than the UK CAER Process + MEA Case), a 30.4% reduction compared to the DOE Case 10 • A lower cost of CO2 avoided by $34.95/tonne CO2 ($18.53 tonne CO2 lower than the UK CAER Process + MEA Case), a 38.7% reduction compared to the DOE Case 10

Bhown, Abhoyjit S.↗
DOE OSTI2022

Direct Correlation of the Salt-Reduced Diffusivities of Organic Solvents with the Solvent’s Mole Fraction

We report that lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) in organic solvents (especially propylene carbonate) has demonstrated extraordinary pseudocapacitive performance as an electrolyte in the supercapacitor configuration. However, the influence of the solvated ions on the diffusivity of the solvent molecules is yet to be understood. We examine the impact of LiTFSI on the diffusivity in five organic solvents: acetonitrile (ACN), tetrahydrofuran (THF), methanol (MeOH), dimethyl sulfoxide (DMSO), and propylene carbonate (PC) using a combination of neutron scattering, conductivity measurements, and molecular dynamics simulations. The extent of the diffusivity reduction in the concentration regime of ≤1 M directly correlates with the solvent mole fraction at which the solvation shells around Li + ions are of similar size in all the solvents, resulting in a universal ~50% reduction in the solvent diffusivity. These results provide guidance for formulation of the new electrolytes to enhance the performance of energy storage devices.

conductivity↗
DOE OSTI2022

Economic viability of using thermal energy storage for flexible carbon capture on natural gas power plants

Fossil fuel-based power plants generate 80% of the electricity in the United States and provide a reliable generation source for both base and peak power demands. These plants are expected to adapt to changes in environmental policies that will require carbon management with carbon capture and storage (CCS) representing a possible solution. Current solvent-based CCS has a detrimental impact on a power plant's performance due to large heat loads required for carbon capture solvent regeneration. This parasitic load restricts the power plant's output and operation flexibility. Therefore, this study evaluates the feasibility of using thermal storage technologies for natural gas combined cycle (NGCC) power plants coupled with CCS to minimize the impact of solvent regeneration and enable the plant to operate at peak power output. Thermal storage can minimize the impact of CCS on the power plant by providing the heat load required for solvent regeneration during times of peak demand which will allow the plant to operate unrestricted and at full power. In total, fifteen unique thermal storage configurations were evaluated from three thermal storage categories: Brayton cycle heat pump, vapor compression heat pump, and heat recovery steam generator steam extraction for storage. The viability of these systems was determined by evaluating each configuration on thousands of real-world Locational Marginal Pricing (LMP) profiles from the New York Independent System Operator and California Independent System Operator electricity markets using a techno-economic analysis. Afterwards, results were compared to the performance of a base power plant (NGCC with CCS and no thermal storage) to determine the impact of thermal storage on power plant economics. Overall, six of the thermal storage configurations performed better than base CCS enabled power plant on between 11.5% and 38.7% of the LMP signals evaluated. The best performing configuration was a vapor compression heat pump that used flue gas as the working fluid and had both hot and cold thermal storage units. This configuration performed better than the base CCS power plant on 38.7% of the LMP profiles. The results of this study show thermal storage can mitigate the economic impact of carbon capture solvent regeneration on NGCC power plants. Discussion focuses on the impact of electricity pricing on the optimal thermal storage system, the advantages and disadvantages of the systems evaluated, and identifies limitations with the study.

25 ENERGY STORAGE↗
DOE OSTI2024

Off-Design Load Analysis of sCO2 Bottoming Cycle for a Natural Gas Combined Cycle Power Plant with Carbon Capture

As an alternative to a steam cycle, a supercritical carbon dioxide (sCO2) power cycle can be considered. Able et. al performed an analysis of an sCO2 cycle in a 2x2-1 configuration; however, this study did not include carbon capture. Previous studies assumed an H-Frame turbine and added a solvent based 95% carbon capture system and performed a levelized cost of electricity (LCOE) optimization for the plant. Their results suggest a LCOE slightly better than when using a steam cycle. In the study, steam is still generated in the heat recovery sections for the solvent regeneration in the carbon capture stripper reboiler. H-Frame gas turbines are also assumed. This work starts with the optimal design from the mentioned work to analyze the off-design performance of the power plant from 100% down to 50% load. The main operational findings and plant-efficiency for off-load conditions while maintaining the target CO2 capture rate are presented. H-Frame gas turbine off-design performance and exhaust conditions to the heat recovery section are obtained from commercial software, Thermoflow®. The CO2 turbomachinery, heat exchangers and other unit operations are sized and implemented in an Aspen Plus® model. Using the gas turbine exhaust conditions as input, the sCO2 cycle is optimized by adjusting stream split ratios, sCO2 circulation flowrate and compressor speed for maximum efficiency. This is done while keeping the target 95% CO2 capture.

Chinen, Anderson Soares↗
DOE OSTI2025

Spatial Composition Influenced by Solvent in High-Entropy Alloy Nanoparticle Synthesis via Polyol Reduction

The performance of nanoparticles in catalytic reactions depends critically on their surface composition. In a multielemental system, this issue becomes even more important. Here, we report that the choice of solvent in polyol reduction synthesis of high entropy alloy (HEA) nanoparticles can have a subtle but significant influence on the elemental distribution near the surface of individual nanoparticles. Our study reveals that longchain polyethylene glycol typically produces a more uniform multielement distribution within a nanoparticle than short-chain triethylene glycol under identical experimental conditions. We performed electrochemical reduction of metal salts in both solvents to understand the reduction kinetics of metal salts, which shows that a solvent capable of improving the co-reduction of metal salts leads to the synthesis of more homogenized nanoparticles, whereas a solvent with a varying degree of reduction potency will lead to inhomogeneous elemental distribution in an HEA nanoparticle.

Catalyst↗
DOE OSTI2025

Identifying High Ionic Conductivity Compositions of Ionic Liquid Electrolytes Using Features of the Solvation Environment

Binary mixtures of ionic liquids with molecular solvents are gaining interest in electrochemical applications due to the improvement in their performance over neat ionic liquids. Dilution with suitable molecular solvents can reduce the viscosity and facilitate faster diffusion of ions, thereby yielding substantially higher ionic conductivity than that for a pure ionic liquid. Although viscosity and diffusion coefficients typically behave as monotonic functions of concentration, ionic conductivity often passes through a peak value at an optimum molar ratio of the molecular solvent to the ionic liquid. The ionic conductivity maximum is generally explained in terms of a balance between the ease of charge transport and the concentration of the charge carriers. In this work, fluctuation in the local environment surrounding an ion is invoked as a plausible explanation for the ionic conductivity mechanism with a binary mixture of 1-ethyl-3-methylimidazolium tetrafluoroborate and ethylene glycol as an example. The magnitude of the dynamism in the local environment is captured by measuring the spatial and temporal features of the solvation environment. Standard deviation in the number of ions in the solvation environment serves as a spatial feature, while the cage correlation lifetimes for oppositely charged ions within the first solvation shell serve as a temporal feature. Large standard deviations in the cluster ion population and short cage correlation lifetimes are indicators of highly dynamic ionic environment at the molecular level and consequently yield high ionic conductivity. Such compositions were found to be in good agreement with the optimum ionic liquid mole fractions obtained through experimental measurement. Short cage correlation lifetimes enable the identification of optimum mixture compositions using simulation trajectories significantly shorter than those required to implement the Nernst–Einstein or Einstein formalisms for calculating ionic conductivity. We validated the applicability of this approach across force fields and in six ionic liquid-molecular solvent electrolytes formed with combination of cations, anions, and solvents. We offer a computationally efficient approach of screening ionic liquid-molecular solvent binary mixture electrolytes to identify molar ratios that yield high ionic conductivity.

25 ENERGY STORAGE↗
DOE OSTI2025

Influence of extreme temperature conditions on CO 2 direct air capture using amino-acid solutions

Geological features play a pivotal role in determining the feasibility of deploying CO₂ direct air capture (DAC) technologies, primarily because they influence the availability of cost-effective energy sources, such as natural gas and geothermal energy, and also due to the potential for CO₂ sequestration. Many regions face challenges due to variable weather conditions including seasonal temperature fluctuations, high or low humidity, and sub-ambient temperatures. These extremes can reduce DAC performance or even lead to catastrophic events. Aqueous solvents considered for DAC systems are particularly vulnerable to seasonal variations in colder climates, where the solvent may underperform or freeze. It is therefore essential to investigate the CO₂ capture efficiency of aqueous solvents across a broad range of environmental temperatures, spanning sub-zero to hot conditions (>30 °C). In this study, DAC operation is examined using a high-flux solvent–air crossflow contactor under two major weather scenarios: (i) cold conditions below 0 °C and (ii) hot conditions above 30 °C. A parametric study is conducted to investigate the contactor performance regarding CO₂ removal efficiency, uptake capacity, and reaction kinetics versus temperature when the air velocity through the contactor exceeds 1 m/s. The efficacy of the contactor is systematically investigated using various anti-freeze amino-acid solvent formulations. A mass-transfer mechanistic model is developed to assess the process performance over a wide temperature range and propose scalable design guidelines. Machine learning is also employed to identify key parameters affecting the CO₂ capture efficiency. It is shown that air velocity and temperature are the primary factors influencing CO₂ uptake. Based on performance data obtained under subfreezing temperatures, a technoeconomic analysis is conducted to evaluate the feasibility of using aqueous solvents in seasonal cold regions. In conclusion, the findings of this study provide valuable insights into siting considerations for deploying solvent-based DAC, thereby contributing to the advancement of sustainable carbon removal solutions.

Air–liquid contactor↗