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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Cellulose acetate membranes exhibit exceptional monovalent to divalent cation selectivities

Salt transport properties of cellulose acetate membranes are reported for a series of chloride salts with mono- valent and divalent cations (LiCl, NaCl, MgCl 2 , CaCl 2 ). Measurements include salt permeability and sorption, with diffusivity values calculated from the permeability and sorption results. We report an exceptionally high LiCl/MgCl 2 selectivity of 750:1. Salts with similar valence (LiCl and NaCl; MgCl 2 and CaCl 2 ) have similar transport properties. The high monovalent/divalent selectivity arises from differences in both sorption and diffusion, with a LiCl/MgCl 2 solubility selectivity of about 11 and a diffusivity selectivity of about 70. Atomistic molecular dynamics simulations show that ions tend to reside in isolated clusters of water. Increasing ion charge strengthens ion–water interactions relative to ion–polymer interactions, explaining the reduced sorption of divalent ions. Diffusion of ions through the membrane occurs via hop-like motion between water clusters. Lithium diffuses faster than magnesium due to weaker ion–water coordination for lithium, which allows for greater mobility within water clusters and more frequent hopping. Altogether, our atomistic simulations suggest that the high LiCl/MgCl 2 selectivity is linked to cellulose acetate’s high water/salt selectivity and is a consequence of low water content and relatively uniform water distribution.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solid, hydrophobic aggregators and methods of making and using the same

Disclosed herein are aggregators that can be cellulosic particles having high oil sorption capacity, high hydrophobicity, high buoyancy in water, and an aggregation quality that can support environmental remediation of hydrocarbon spills (e.g., crude oil spills) by various cleanup strategies including burning, skimming, or bioremediation. Also disclosed are methods of making the materials and methods of using the materials for environmental remediation.

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

A Particle-Based Conditional Sampling Scheme for the Simulation of Transport in Fractured Rock With Diffusion Into Stagnant Water and Rock Matrix

In situ experiments and field-scale characterization studies have pointed out that, in fractured crystalline media, groundwater flow is highly channelized. This implies that, at the scale of a single fracture, only part of the fracture surface area is in contact with flowing water, while the rest of in-plane water is essentially stagnant and can be accessed by solutes via molecular diffusion. Despite their importance for contaminant retention, to date, there are no numerical or analytical approaches that could be used to assess the implication of stagnant water zones on solute transport in realistic large-scale Discrete Fracture Network-based models. In this study, we present an efficient and flexible algorithm for the simulation of transport in fractured rock with diffusion into stagnant water and rock matrix. The algorithm is a generalization of a previously developed numerical framework for time domain particle tracking in sparsely fractured rock. The key of the generalization is that total time in fracture (τ f ) is first evaluated using a Monte Carlo sampling and then a second sampling is performed conditioned on τ f . The algorithm has been successfully validated against existing independent solutions and the implication of diffusion into stagnant water and secondary diffusion into the matrix has been assessed for a realistic modeling scenario. The results show that, due to diffusion into stagnant water, contaminants are more strongly retarded. This increased retention is more significant for sorbing species, as a larger number of sorption sites is accessible. A high sensitivity to the flowing channel/stagnant water zone geometry has also been observed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Sorption of Arsenate, Selenate, and Molybdate on the Barite (001) Surface

Interactions of ions with ionically bonded minerals such as barite (BaSO 4 ) influence the fate and transport of the ions, while the factors that control the sorption of toxic oxyanions on barite remain elusive. In this study, the sorption of arsenate, selenate, and molybdate on the barite (001) surface was examined at pH ~5 using in situ crystal truncation rod analysis, resonant anomalous X-ray reflectivity, and atomic force microscopy. The results show that arsenate and selenate mainly incorporate into the top monolayer of barite, while molybdate primarily adsorbs above the surface. The sorption coverage of arsenate is greater (by ~100%) than that of selenate but similar to that of molybdate. The different incorporation coverages between arsenate and selenate can be explained by their different protonation states at pH 5. The incorporated arsenate may be stabilized by hydrogen bonds between arsenate and oxygen atoms of neighboring sulfate compared to selenate, which exists predominantly in the deprotonated state. The adsorption of molybdate above the surface probably stems from a surface-induced oligomerization, as the anion and the oligomer may be too large for incorporation. Our observation of these different sorption mechanisms demonstrates how the physicochemical properties of the anions control the selective uptake of the toxic metals on the dominant surface of the ionically bonded mineral barite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electrically regenerated ion-exchange technology: Leveraging faradaic reactions and assessing the effect of co-ion sorption

Capacitive deionization (CDI) technologies have the potential to become cost-competitive alternatives to reverse osmosis for the treatment of brackish waters. In this study, we describe our findings on the effect of co-ion sorption and faradaic side reactions on our ion exchange resin functionalized desalination electrodes which passively capture salt and reject it upon charging. This system, which we previously reported on and refer to as electrically regenerated ion exchange (ERI), avoids the use of expensive ion exchange membranes in an effort to save costs. Surprisingly, we find that, compared to a reference CDI system, ERI electrodes capture salt most effectively at low applied voltages (0.5 mg/cm 3 at 0.8 V). Both CDI and ERI systems also seem to suffer from co-ion sorption effects which negatively impact salt adsorption. However, Faradaic side reactions at higher voltages (1 V and 1.2 V) which we track via pH measurements, serve as a detriment to CDI but seem to facilitate the functionality of ERI.

42 ENGINEERING↗
DOE OSTI2021

Nanoporous weakly coordinating anionic frameworks (Final Technical Report)

Under this award, we synthesized and characterized new weakly coordinating, anionic covalent organic frameworks. The motivation was to expand the class of covalent organic frameworks though the introduction of the first weakly coordinating anionic ones. The significance of the weakly coordinating anionic character of these frameworks is associated with the character of the counter (metal) cations in their pores. Those counter-cations, due to the inability to effectively coordinate to the pore walls, have a “naked”, and thus highly electrophilic, Lewis acidic character. Such properties are expected to translate to a number of interesting physical properties that can be potentially used for a range of energy-relevant applications. One of these applications is gas adsorption, separation, and storage. The electrophilic, Lewis acidic character of the counter-cations are expected to strongly bind to gas molecules entering the pores leading to higher gas sorption capacities. Other applications include heterogeneous catalysis, ion exchange, and solid state ion conduction. Within the project we explored a range of chemical blocks, and tested synthesis conditions to polymerize these building blocks to form the target materials. In particular, we focused on materials with group 15 elements like phosphorus in the oxidation state +5 and the coordination number 6, that have a formal -1 charge. The synthesis of such materials is challenging because its success depends on the absence of residual monomeric and oligomeric side-products in the pores, and the absence of significant framework interpenetration. Crystalline forms of these materials require sufficient reversibility of the polymerization reaction (which is difficult to achieve because group 15 elements like P tend to make strong covalent bonds with neighbored elements), as well as suitable polymerization rates that prevent the formation of kinetically controlled products. We had success with the preparation of anionic porous organic frameworks with anionic building blocks containing P(V)O6 octahedra synthesized through Yamamoto coupling reactions. These materials are non-crystalline because of the irreversible nature of the Yamamoto coupling reaction, but show porosity. The porosity and surface area can be significantly increased by co-reaction with electrostatically neutral co-reactants. Very high porosity and surface areas can be achieved when the materials are washed with hydrochloric acid. This method is commonly used to free products from Yamamoto coupling reactions from by-products. Indeed, this method removed by products from the pores of our materials, however it also led to the hydrolysis of the PO6 octahedra to form pending phosphonic acid groups (-PO3H)-groups in the frameworks (PA-POFs) which was actually not desired. Nonetheless, these materials showed high CO2 sorption capacities. In addition, they show extremely high (actually record) sorption capacities for the removal of a range of common micropollutants such as bisphenol A (BPA) and 4-nitrophenol in water. BPA is a wide-spread organic pollutant and a known endocrine disruptor. The maximum adsorption capacity of BPA at equilibrium is found to be as high as 3,366 mg g-1 by Langmuir adsorption model, which is more than 10 times greater than peer materials. The polymer also rapidly removes various other organic micropollutants with more than 90% removal efficiencies. In addition, the PA-POF material can be regenerated at least five times by mild washing using methanol without significant loss in removal efficiency. This is significant advantage over commonly used activated carbon materials (that are in Brita water faucet filters, for example). Comparison studies showed that only materials with the phosphonate groups show extreme sorption although the number of PA group is actually small according to solid state NMR and EDX data. More research would be needed to investigate why this is (a possibility is that the phosphonate groups have a multiplying effect in which a PA-induced initial adsorption leads to the adsorption of much more adsorbate). The extreme sorption capabilities can also be visually seen when colored adsorbates such as 4-nitrophenol are used, as the adsorption of the nitrobenzene leads to the decoloration of the solution. We have produced three short videos that illustrate the sorption capabilities compared to two peer materials (activated carbon from dismantled Brita water filters, and a electrostatically neutral, chemically related, porous organic polymer, respectively).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Controlling saturation to improve per- and polyfluoroalkyl substance (PFAS) removal in biochar-amended stormwater bioretention systems

Black carbon-amended bioretention systems are an increasingly popular strategy for the removal of organic contaminants, including poly- and perfluoroalkyl substances (PFASs) and other trace organic contaminants (TOrCs), from urban stormwater. Many PFASs preferentially accumulate at the air–water interface, but detention time requirements for stormwater bioretention systems typically result in full saturation of the bioretention systems, effectively removing their air–water interfaces. This study assessed the effect of bioretention system saturation on removal of PFASs, metals, and hydrophilic TOrCs. A field-aged mixture of 40% v/v sand, 30% v/v zeolite, and 30% v/v biochar was packed into columns which were operated with hydraulic controls to remain unsaturated or fully saturated throughout the duration of the experiment. Twenty-four storm events sized to a 95th percentile storm at a California, United States military site were simulated using synthetic stormwater fortified with aqueous film forming foam-derived PFASs, TOrCs, and metals to mimic real-world conditions. Unsaturated conditions outperformed saturated conditions for removal of all PFASs analyzed. A simulated inadvertent system perturbation (i.e. flooding event) in the unsaturated columns did not result in significantly greater mobilization of PFAS mass, suggesting that more sorption to the biochar occurred as a result of the transient retention of PFASs at the air–water interface reducing kinetic sorption limitations. Overall, maintaining unsaturated conditions in a biofilter may extend the sorptive filter lifetime for PFASs by up to 83%. The results have implications for bioretention system application and design for PFAS removal in contaminated catchment areas.

13 HYDRO ENERGY↗
DOE OSTI2021

Neutron Insights into Sorption Enhanced Methanol Catalysis

Sorption enhanced methanol production makes use of the equilibrium shift of the CO 2 hydrogenation reaction towards the desired products. However, the increased complexity of the catalyst system leads to additional reactions and thus side products such as dimethyl ether, and complicates the analysis of the reaction mechanism. On the other hand, the unusually high concentration of intermediates and products in the sorbent facilitates the use of inelastic neutron scattering (INS) spectroscopy. Despite being a post-mortem method, the INS data revealed the change of the reaction path during sorption catalysis. Concretely, the experiments indicate that the varying water partial pressure due to the adsorption saturation of the zeolite sorbent influences the progress of the reaction steps in which water is involved. Experiments with model catalysts support the INS findings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Mineral-associated organic matter is heterogeneous and structured by hydrophobic, charged, and polar interactions

The formation of mineral-associated organic matter (MAOM) is a key phenomenon that may explain the slow turnover rates of carbon in soil organic matter (SOM). Despite this, important details pertaining to the structure and dynamics of MAOM remain unknown. In the present study, we use replica-exchange molecular dynamics simulations to gain insight into the structure of MAOM on the surface of prototypical phyllosilicate clay and Fe-oxide minerals, montmorillonite and goethite, fine-grained minerals that strongly impact soil carbon dynamics in temperate and tropical regions, respectively. We examine the impact of aqueous chemistry through the presence of either Na + or Ca 2 + charge balancing counterions. Our results are consistent with the hypothesized multilayer sorption (“onion-skin”) model of MAOM and help to explain previous observations regarding the patchy distribution of SOM on mineral surfaces. In particular, the SOM coatings are partial and laterally heterogeneous, and water retains extensive access to mineral surfaces even when significant SOM sorption occurs. Low molecular weight neutral SOM molecules ( < 200 Da) infrequently interact with the mineral surfaces nor their sorbed organic matter coatings and are increasingly labile with decreasing molecular weight. This observation is inconsistent with a central feature of the predominant soil continuum model of SOM and suggests that further iterations of the conceptual model may be required.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2007

Liquid Metering Centrifuge Sticks (LMCS): A Centrifugal Approach to Metering Known Sample Volumes for Colorimetric Solid Phase Extraction (C-SPE)

Phase separation is one of the most significant obstacles encountered during the development of analytical methods for water quality monitoring in spacecraft environments. Removing air bubbles from water samples prior to analysis is a routine task on earth; however, in the absence of gravity, this routine task becomes extremely difficult. This paper details the development and initial ground testing of liquid metering centrifuge sticks (LMCS), devices designed to collect and meter a known volume of bubble-free water in microgravity. The LMCS uses centrifugal force to eliminate entrapped air and reproducibly meter liquid sample volumes for analysis with Colorimetric Solid Phase Extraction (C-SPE). C-SPE is a sorption-spectrophotometric platform that is being developed as a potential spacecraft water quality monitoring system. C-SPE utilizes solid phase extraction membranes impregnated with analyte-specific colorimetric reagents to concentrate and complex target analytes in spacecraft water samples. The mass of analyte extracted from the water sample is determined using diffuse reflectance (DR) data collected from the membrane surface and an analyte-specific calibration curve. The analyte concentration can then be calculated from the mass of extracted analyte and the volume of the sample analyzed. Previous flight experiments conducted in microgravity conditions aboard the NASA KC-135 aircraft demonstrated that the inability to collect and meter a known volume of water using a syringe was a limiting factor in the accuracy of C-SPE measurements. Herein, results obtained from ground based C-SPE experiments using ionic silver as a test analyte and either the LMCS or syringes for sample metering are compared to evaluate the performance of the LMCS. These results indicate very good agreement between the two sample metering methods and clearly illustrate the potential of utilizing centrifugal forces to achieve phase separation and metering of water samples in microgravity.

Gazda, Daniel B.↗
DOE OSTI2022

Interactions between molecular-scale processes and hyporheic exchange for understanding Fe-S-C cycling in riparian wetlands (Final Report)

Wetlands represent some of the most productive ecosystems on the planet and critically influence global environmental health. Specifically, wetlands promote water quality by transforming nutrients and organic compounds and sequestering metals and contaminants. Riparian wetland hyporheic zones, where toxic surface water and anoxic groundwater mix, exhibit dynamic conditions that drive steep redox gradients and promote hotspots of diverse and fluctuating microbial activity. Changes in climate, water quality, and water quantity can disturb hydrologic flow and biogeochemical processing in these environments. Understanding how sulfate loading, impacted by hydrologic flux and anthropogenic inputs, influences iron and carbon cycling in wetlands will be crucial for predicting water quality issues driven by iron mineral precipitation and sorption, such as the release of heavy metals and other toxic elements. We used a fully integrated multi-scale and multi-method approach to develop a mechanistic understanding of how hydrologic flow influences coupled iron and sulfur cycles in riparian wetlands. This entailed hydrological, geochemical, and microbial observations at two locations: an anthropogenic sulfate-impacted riparian wetland in northern Minnesota, and a low-sulfate Fe-rich riparian wetland in Tims Branch at the Savannah River Site (SRS). These sites were characterized by hydrologically dynamic conditions where the stream and wetland systems oscillated between gaining (upward flow) and losing (downward flow) conditions that recharged the system occasionally with oxidants that fueled a variety of biogeochemical reactions. Aqueous geochemical measurements of surface water, groundwater, and porewater samples were made alongside solid-phase geochemical analyses of sediment gravity cores. Bulk X-ray absorption spectroscopy at the Advanced Photon Source (APS; Argonne) interrogated the speciation and distribution of Fe and S mineral phases of the sediments. Interestingly, it was discovered that, despite strongly reducing conditions, Fe(III) compounds and a variety of intermediate valence S compounds were stable in the subsurface. Indeed, compounds like thiosulfate, S(0), and intermediate valence organosulfur compounds were more prevalent than FeS and pyrite. The composition of the sediments did change with changes in hydrologic flow, showing their reactivity in changing redox conditions. The abundance of these intermediate S compounds was likely formed as a result of anaerobic oxidation by aqueous and solid-phase Fe(III) compounds, fueling a cryptic S cycle that is driving the breakdown of organic matter in the hyporheic zone. Microbiome surveys showed a core community that seemed stable across the landscape, but changed with increasing depth into the sediment. The community composition did not seem to change dramatically with changes in season or hydrologic flow, except for some organisms that have the potential to contribute to S cycling. More work is needed to confirm their functional activity. These fine process-scale analyses were placed within a dynamic field context using physical flow parameters from surface water and groundwater level measurements. These data helped shed light on sulfur-driven biogeochemical processes in hydrologically dynamic riparian wetlands, addressing a gap in our understanding about the impacts of pollution and other anthropogenic changes on ecologically sensitive environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Effects of pore size on water dynamics in mesoporous silica

Water confined in mesoporous silica plays a central role in its many uses ranging from gas sorption to nanoconfined chemical reactions. Here in this paper, the influence of pore diameter (2.5–5.4 nm) on water hydrogen bond (H-bond) dynamics in MCM41 and SBA15 mesoporous silicas is investigated using femtosecond infrared vibrational spectroscopy and molecular dynamics simulations on selenocyanate (SeCN-) anions dissolved in the pores. As shown recently, SeCN- spectral diffusion is a reliable probe of surrounding water H-bond structural motions. Additionally, the long CN stretch vibrational lifetime facilitates measurement of the full range of confined dynamics, which are much slower than in bulk water. The simulations shed light on quantitative details that are inaccessible from the spatially averaged observables. The dependence of SeCN- orientational relaxation and that of spectral diffusion on the distance from the silica interface are quantitatively described with an exponential decay and a smoothed step-function, respectively. The distance-dependence of both quantities is found to be independent of the diameter of the pores, and the spatial distribution of SeCN- is markedly non-uniform, reaching a maximum between the interface and the pore center. The results indicate that the commonly invoked two-state, or core–shell, model is a more appropriate description of spectral diffusion. Using these insights, we model the full time-dependence of the measured dynamics for all pore sizes and extract the “core” and “shell” dynamical correlation functions and SeCN- spatial probability distributions. The results are critically compared to those for water confined in reverse micelles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Physical/chemical closed-loop water-recycling

Water needs, water sources, and means for recycling water are examined in terms appropriate to the water quality requirements of a small crew and spacecraft intended for long duration exploration missions. Inorganic, organic, and biological hazards are estimated for waste water sources. Sensitivities to these hazards for human uses are estimated. The water recycling processes considered are humidity condensation, carbon dioxide reduction, waste oxidation, distillation, reverse osmosis, pervaporation, electrodialysis, ion exchange, carbon sorption, and electrochemical oxidation. Limitations and applications of these processes are evaluated in terms of water quality objectives. Computerized simulation of some of these chemical processes is examined. Recommendations are made for development of new water recycling technology and improvement of existing technology for near term application to life support systems for humans in space. The technological developments are equally applicable to water needs on Earth, in regions where extensive water recycling is needed or where advanced water treatment is essential to meet EPA health standards.

Herrmann, Cal C.↗
NASA NTRS1990

Physical/chemical closed-loop water-recycling for long-duration missions

Water needs, water sources, and means for recycling water are examined in terms appropriate to the water quality requirements of a small crew and spacecraft intended for long duration exploration missions. Inorganic, organic, and biological hazards are estimated for waste water sources. Sensitivities to these hazards for human uses are estimated. The water recycling processes considered are humidity condensation, carbon dioxide reduction, waste oxidation, distillation, reverse osmosis, pervaporation, electrodialysis, ion exchange, carbon sorption, and electrochemical oxidation. Limitations and applications of these processes are evaluated in terms of water quality objectives. Computerized simulation of some of these chemical processes is examined. Recommendations are made for development of new water recycling technology and improvement of existing technology for near term application to life support systems for humans in space. The technological developments are equally applicable to water needs on earth, in regions where extensive water ecycling is needed or where advanced water treatment is essential to meet EPA health standards.

Herrmann, Cal C.↗
NASA NTRS1973

Storage stability and improvement of intermediate moisture foods

The rates of chemical reactions which deteriorate foods prepared to an intermediate moisture content and water activity (A sub w 0.6 to 0.9) were studied. The phenomenon of sorption hysteresis was used to prepare model systems and foods to similar A sub w's but different moisture levels so that the separate effects of water binding and water content could be elucidated. It was found that water content is the controlling factor for lipid oxidation in model systems comprised of a solid support and an oxidizable liquid. It was proposed that metal chelating agents like EDTA should give good protection to oxidation. EDTA exhibited the highest efficacy, about 10-15 times better than BHA which is a radical scavenger when studied in the model systems.

Labuza, T. P.↗
DOE OSTI2023

Moisture-driven CO 2 pump for direct air capture

Direct Air Capture, the chemical separation of carbon dioxide (CO 2 ) from air, is considered a necessary approach to generate negative carbon emissions and in turn limit global warming, though energetic and monetary costs must continue to decline to meet the needed gigaton scale. The promise of energy-efficient and continuous carbon dioxide membrane separation has only recently been investigated with the development of facilitated chemical transport and novel electrochemically driven methods. This work demonstrates the potential for continuous pumping of CO 2 from air using commercial anion exchange membranes driven solely by a water vapor gradient. A reactive transport model that couples ionic transport with moisture sensitive bicarbonate chemistry in charged polymers, also termed moisture swing sorption, was developed alongside experimentally measured equilibrium and transport properties of CO 2 and water vapor in Fumasep FAA-3 to determine the mass transport limits of such a system. The results show that the commercial membrane is kinetically limited by the moisture sensitive chemistry, enabling a CO 2 current of 1.1 μmol/m 2 • s. In diffusion limited materials, a CO 2 pumping flux can reach 11 μmol/m 2 • s in and peak performance is expected with a dry air relative humidity around 50% pumping into a saturated water vapor permeate. In all configurations, water loss becomes the major cost in such a separation and must be managed through optimal polymer design or water recovery mechanisms. The work demonstrates the applicability of a new driving force, the evaporation of water, to meet the energetic demand of CO 2 separation from air.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Performance Characterization and Simulation of Amine-Based Vacuum Swing Sorption Units for Spacesuit Carbon Dioxide and Humidity Control

Controlling carbon dioxide (CO2) and water (H2O) vapor concentrations in a space suit is critical to ensuring an astronauts safety, comfort, and capability to perform extra-vehicular activity (EVA) tasks. Historically, this has been accomplished using lithium hydroxide (LiOH) and metal oxide (MetOx) canisters. Lithium hydroxide is a consumable material that requires priming with water before it becomes effective at removing carbon dioxide. MetOx is regenerable through a power-intensive thermal cycle but is significantly heavier on a volume basis than LiOH. As an alternative, amine-based vacuum swing beds are under aggressive development for EVA applications. The vacuum swing units control atmospheric concentrations of both CO2 and H2O through fully-regenerative process. The current concept, referred to as the rapid cycle amine (RCA), has resulted in numerous laboratory prototypes. Performance of these prototypes have been assessed experimentally and documented in previous reports. To support developmental e orts, a first principles model has also been established for the vacuum swing sorption technology. For the first time in several decades, a major re-design of Portable Life Support System (PLSS) for the extra-vehicular mobility unit (EMU) is underway. NASA at Johnson Space Center built and tested an integrated PLSS test bed of all subsystems under a variety of simulated EVA conditions of which the RCA prototype played a significant role. The efforts documented herein summarize RCA test performance and simulation results for single and variable metabolic rate experiments in an integrated context. In addition, a variety of off-nominal tests were performed to assess the capability of the RCA to function under challenging circumstances. Tests included high water production experiments, degraded vacuum regeneration, and deliberate valve/power failure and recovery.

Swickrath, Michael J.↗
DOE OSTI2023

A General Binary Isotherm Model for Amines Interacting with CO 2 and H 2 O

CO 2 capture by primary or secondary amines has been of great research interests for a century because of its industrial importance. Interest has grown even more, because of the need to eliminate the CO 2 emissions that drive global warming. Experimental evidence shows that CO 2 sorption in primary or secondary amines is accompanied by co-absorption of H 2 O. A quantitative analysis of such CO 2 -H 2 O co-absorption behavior is important for practical process design and theoretical understanding. Even though there is almost an experimental consensus that water enhances CO 2 uptake capacity, an analytic model to explain this phenomenon is not well established. Instead, some empirical models such as the Toth model are used to describe the isotherm without accounting for the presence of water. Recently, we have demonstrated that the isotherm equation of CO 2 sorption into strong-base anion exchange materials with quaternary ammonium can be derived from that of strong-base aqueous alkaline solutions by correcting for the drastic change in water activity and by including an appropriate parameterization of the water activity terms. In this paper, we generalize this model from quaternary ammonium to primary, secondary and tertiary amines either in solutions or as functional groups in polymer resins. For primary, secondary and tertiary amines, the isotherm equation can be derived by extending that of a weak-base aqueous alkaline solution such as aqueous ammonia. The model has been validated using experimental data of aqueous ammonia in literature. Furthermore, this general model even includes quaternary ammonium as a special limit. Hence, this general model offers a platform that can treat the isotherms of solid amines, aqueous amines and aqueous alkaline solutions in a unified way.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗