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Polymeric membranes for separation of gases

Membranes, methods of making the membranes, and methods of using the membranes are described herein. The membranes can comprise a gas permeable support layer, optionally an inorganic layer disposed on the support, and a selective polymer layer disposed on the inorganic layer. In some cases, the selective polymer layer can comprise an amine-containing polymer and an amino acid salt dispersed within the amine-containing polymer. In other cases, the selective polymer layer comprises a sterically hindered amine-containing polymer, such as a sterically hindered derivative of polyvinylamine. The membranes can be used, for example, to separate gaseous mixtures, such as flue gas.

Ho, W.S. Winston↗

Implosion mediated gas-puff hybrid X-pinch

Imploding gas-puff z-pinches are efficient sources of intense X-rays. However, the unpredictable size, number, and location of hot-spots along the pinch axis make them unsuitable for applications such as point-projection radiography. Crossed wire or hybrid X-pinches on the other hand provide small, localized sources but require fast current rise times and must be reloaded after each pulse. In this letter, we present the first experimental demonstration of an implosion mediated gas-puff hybrid x-pinch in which an annular gas-puff implosion is shaped and focused onto pair of conical electrodes separated by a small gap. Here, this setup produces an intense X-ray source with controllable timing that can be operated with or without a central wire. Because the gas-puff implosion time determines the formation of the pinch, this configuration can continue to operate efficiently as a point X-ray source for longer current pulses than conventional x-pinches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Origin and Time Dependence of the Amount and Composition of Non-Constituent Gases Present in Crystal Growth Systems

Presence of different, non-constituent gases may be a critical factor in crystal growth systems. In Physical Vapor Transport processes the cras(es) can be used intentionally (to prevent excessively high, unstable growth conditions), or can evolve unintentionally during the course of the process (which may lead to undesired reduction in the -rowth rate). In melt growth, particularly under low gravity conditions (reduced hydrostatic pressure) the gas present in the system may contribute to formation of voids in the growing crystals and even to a separation of the crystal and the liquid phase [1]. On the other hand, some amount of gas may facilitate 'contactless' crystal growth particularly under reduced gravity conditions [2 - 6]. Different non-constituent gases may be present in growth ampoules, and their amount and composition may change during the crystallization process. Some gases can appear even in empty ampoules sealed originally under high vacuum: they may diffuse in from the outside, and/or desorb from the ampoule walls. Residual gases can also be generated by the source materials: even very high purity commercial elements and compounds may contain trace amounts of impurities, particularly oxides. The oxides may have low volatilities themselves but their reaction with other species, particularly carbon and hydrogen, may produce volatile compounds like water or carbon oxides. The non-constituent gases, either added initially to the system or evolved during the material processing, may diffuse out of the ampoule during the course of the experiment. Gases present outside (e.g. as a protective atmosphere or thermal conductor) may diffuse into the ampoule. In either case the growth conditions and the quality of the crystals may be affected. The problem is of a particular importance in sealed systems where the amount of the gases cannot be directly controlled. Therefore a reasonable knowledge and understanding of the origin, composition, magnitude, and change with time of gases present in sealed ampoules may be important for a meaningful control and interpretation of crystal growth processes. This problem is of a particular importance for processing of electronic materials in space because (i) safety considerations require using sealed systems only, and (ii) high cost of crystal growth experiments in microgravity calls for a throughout, accurate description of the processing conditions necessary for a meaningful, efficient, and conclusive interpretation of the space results. In this paper we present the results of our extensive studies on gases in closed crystal growth systems which include: (a) Degassing properties of fused silica; (b) Generation of inert gases by source materials (CdTe, ZnTe, CdZnTe, ZnSe, PbTe, PbSe, PbSeTe); (c) Diffusive cas losses from silica glass ampoules.

Palosz, Witold↗

Silver-mediated separations: A comprehensive review on advancements of argentation chromatography, facilitated transport membranes, and solid-phase extraction techniques and their applications

The use of silver(I) ions in chemical separations, also known as argentation separations, is a powerful approach for the selective separation and analysis of many natural and synthetic organic compounds. In this review, a comprehensive discussion of the most common argentation separation techniques, including argentation-liquid chromatography (Ag-LC), argentation-gas chromatography (Ag-GC), argentation-facilitated transport membranes (Ag-FTMs), and argentation-solid phase extraction (Ag-SPE) is provided. For each of these techniques, notable advancements, optimized separations, and innovative applications are discussed. The review begins with an explanation of the fundamental chemistry underlying argentation separations, mainly the reversible π-complexation between silver(I) ions and carbon-carbon double bonds. Within Ag-LC, the use of silver(I) ions in thin-layer chromatography, high-performance liquid chromatography, as well as preparative LC are explored. This discussion focuses on how silver(I) ions are employed in the stationary and mobile phase to separate unsaturated compounds. For Ag-GC and Ag-FTMs, different silver compounds and supporting media are discussed, often with relation to olefin-paraffin separations. Ag-SPE has been widely employed for the selective extraction of unsaturated compounds from complex matrices in sample preparation. This comprehensive review of Ag-LC, Ag-GC, Ag-FTMs, and Ag-SPE techniques emphasizes the immense potential of argentation separations in separations science and serves as a valuable resource for researchers seeking to learn, optimize, and utilize argentation separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Methods and systems for rebalancing electrolytes for a redox flow battery system

A rebalancing reactor for a redox flow battery system may include a first side through which hydrogen gas is flowed, a second side through which electrolyte from the redox flow battery system is flowed, and a porous layer separating and fluidly coupled to the first side and the second side, wherein, the hydrogen gas and the electrolyte are fluidly contacted at a surface of the porous layer, and a pressure drop across the second side is less than a pressure drop across the porous layer. In this way, rebalancing of electrolyte charges in a redox flow battery system may be performed with increased efficiency and cost effectiveness as compared to conventional rebalancing reactors.

Evans, Craig E.↗

Mapping the dark matter in the NGC 5044 group with ROSAT: Evidence for a nearly homogeneous cooling flow with a cooling wake

The NGC 5044 group of galaxies was observed by the ROSAT Position Sensitive Proportional Counter (PSPC) for 30 ks during its reduced pointed phase (1991 July). Due to the relatively cool gas temperature in the group (kT = 0.98 +/- 0.02 keV) and the excellent photon statistics (65,000 net counts), we are able to determine precisely a number of fundamental properties of the group within 250 kpc of the central galaxy. In particular, we present model-independent measurements of the total gravitating mass, the temperature and abundance profiles of the gas, and the mass accretion rate. Between 60 and 250 kpc, the gas is nearly isothermal with T varies as r(exp (-0.13 +/- 0.03)). The total gravitating mass of the group can be unambiguously determined from the observed density and temperature profiles of the gas using the equation of hydrostatic equilibrium. Within 250 kpc, the gravitating mass is 1.6 x 10(exp 13) solar mass, yielding a mass-to-light ratio of 130 solar mass/solar luminosity. The baryons (gas and stars) comprise 12% of the total mass within this radius. At small radii, the temperature clearly increases outward and attains a maximum value at 60 kpc. The positive temperature gradient in the center of the group confirms the existence of a cooling flow. The cooling flow region extends well beyond the temperature maximum with a cooling radius between 100 and 150 kpc. There are two distinct regions in the cooling flow separated by the temperature maximum. In the outer region, the gas is nearly isothermal with a unifor m Fe abundance of approximately 80% solar, the flow is nearly homogeneous with dot-M= 20 to 25 solar mass/year, the X-ray contours are spherically symmetric, and rho(sub gas) varies as r(exp -1.6). In the inner region, the temperature profile has a positive gradient, the mass accretion rate decreases rapidly inward, the gas density profile is steeper, and the X-ray image shows some substrucutre. NGC 5044 is offset from the centroid of the outer X-ray contours indicating that the central galaxy may have a residual velocity with respect to the center of the group potential. There is also a linear X-ray feature with an extent of approximately 30 kpc with one end coincident with NGC 5044. The X-ray emission from this feature is softer than the ambient gas. We interpret this feature as a 'cooling wake' formed by the accreting gas as it is gravitationally focused into the wake of NGC 5044. One of the most surprising results of our PSPC observation is the discovery of a nearly homogeneous cooling flow. Prior results concerning the mass accretion profile in cooling flows indicate that dot-M varies as r. This relation implies that significant mass deposition occurs at large radii which generates an inhomogeneous flow. The mass accretion rate in the NGC 5044 group is essentially a constant beyond 40 kpc (well within the cooling radius). Significant mass deposition (a declining dot-M) does not commence until the gas accretes to within 40 kpc of the group center where the radiative cooling time is approximately equals 10(exp 9) year. Th is radius also corresponds to the temperature maximum, the break in gas density profile, and the onset of structure in the X-ray image. A Hubble constant of H(sub 0) = 50 km/sec/Mpc is used throughout the paper.

David, Laurence P.↗

Efficient Synthetic Natural Gas Production from Direct Air Capture Using Titania-Based Dual Function Materials

Converting atmospheric CO2 into methane offers a compelling pathway to store intermittent renewable electricity and enhance energy security using existing natural gas infrastructure. However, current CO2 utilization approaches remain energy- and capital-intensive, largely due to the need for separate capture, purification, and conversion steps. Integrating CO2 capture with catalytic methanation represents a transformative strategy for process intensification on both the unit operation and molecular levels. We report a series of Ru-Na/TiO2 dual function materials (DFMs) for a reactive carbon capture (RCC) process consisting of simulated direct air capture and subsequent CO2 methanation (DACM). Superior methane desorption purity was observed on TiO2-based DFMs (>94 %) relative to state-of-the-art Al2O3-supported DFMs (77 %). Modifying the process to begin CO2 adsorption immediately following the methanation stage, rather than beginning adsorption near ambient temperature, resulted in >97 % methane desorption purity, suitable for injection into the natural gas pipeline without additional CO2 separation steps.

organic↗

HyPerPy (Hydrogen Extraction and Parabolic Trough Plant Performance Models using Python) [SWR-21-53]

The HyPerPy package consists of three scripts: 1) Model for Hydrogen Tracking in Parabolic Trough Power Plants, 2) Model for Receiver Performance, and 3) Model for Hydrogen Extraction Process. The power plant model (1) tracks hydrogen generation and transport within the circulating heat transfer fluid (HTF) of the power plant. This script is a transient, initial value simulation, in which the hydrogen concentration in the circulating HTF is 0 moles per cubic meter everywhere at time 0 seconds. Hydrogen concentration is calculated at discrete locations within the circulating HTF with 4-second time resolution. During each time step, the change in hydrogen concentration due to hydrogen generation and permeation is calculated for each location according to the local HTF temperature, vessel or piping properties, hydrogen concentration and partial pressure. This model predicts hourly hydrogen concentrations for typical operating days in the spring, summer, fall, and winter seasons. Data is used to create hourly mappings of hydrogen concentrations for a typical operating year. The receiver model (2) uses a 1-hour time step to estimate getter loading and annulus pressure. For each time step, the model uses HTF and ambient temperature data to estimate absorber tube, bellows, and getter temperatures for the time step. In addition, the model uses hourly HTF hydrogen concentrations that are generated by the power plant model (1), and annulus hydrogen pressure from the previous time step. With these data, the model calculates the moles of hydrogen permeating across the absorber tube and bellows during the time step. The net change in moles hydrogen is added or subtracted from the getter loading for the previous time step, and the hydrogen pressure is re-calculated based on getter loading and temperature. The model uses this algorithm to simulate hydrogen permeation and loading 24 hours per day, 365 days per year using seasonal temperature data. The model repeats these calculations for 25 years to create a mapping of receiver getter loading and annulus hydrogen pressure for four seasons of each year. The model for hydrogen extraction (3) estimates hydrogen extraction rates for a specific separation module configuration. The rate depends primarily on membrane area, vacuum pump performance, headspace gas flowrate to the membrane, and headspace gas hydrogen partial pressure. This model has two versions. The steady-state version predicts hydrogen extraction rates when the module is operating in separation mode. The dynamic version predicts hydrogen transfer through the membrane when the module is operating in sensor mode. The steady-state version is used with the plant model (1) to predict hydrogen partial pressures in the power plant when the extraction process is operating.

Glatzmaier, Gregory↗

Hydrogen Blending into Natural Gas Pipeline Infrastructure: Review of the State of Technology

Hydrogen is an energy carrier that could play an important role in reducing emissions associated with difficult-to-decarbonize sectors including peaking and load-following electricity and industrial heating. Blending hydrogen into the natural gas pipelines has been proposed as an approach for achieving near-term emissions reductions and early-market access for hydrogen technologies such as electrolyzers. Numerous challenges and uncertainties complicate this approach to natural gas decarbonization, however, and this review summarizes current research on the material, economic, and operational factors that must be considered for hydrogen blending. First, this review explores previous research regarding the effects of blending hydrogen on gas mixture fluid and thermodynamic properties, pipeline materials and equipment performance within transmission and distribution networks, and supporting facilities such as underground storage and end-use hydrogen separation. We also investigate and summarize studies that developed mathematical models of natural gas pipeline networks with hydrogen blending, and the operational and techno-economic findings of these network studies. Finally, we discuss notable hydrogen blending demonstrations and their key outcomes. Many blending demonstrations internationally have proven that low hydrogen percentage blending is feasible under very specific scenarios with limited end-usage applications on both high-pressure transmission lines and low-pressure distribution lines. This report summarizes findings from literature into key areas of consensus and disagreement. Research gaps and disagreements between the literature are highlighted to provide directions for future hydrogen blending research.

03 NATURAL GAS↗

Development of metallic nuclear material purification process via simultaneous chlorination and volatilization

Here, a purification process involving simultaneous chlorination and volatilization is reported using aluminum, iron, gallium, and uranium separation from cerium metal as the demonstration system. Anhydrous Cl 2 gas was reacted with the metal after it had been converted to small particles of hydride at temperatures ranging from 523 to 973 K. Each of the impurities should form chlorides with relatively high saturated vapor pressures. The objective of the process was to volatilize these chlorides after first achieving near-complete conversion of the metals to hydride and then chlorides. Complete conversion of hydrides to chlorides could not be achieved using relatively low-grade (99.5%) Cl 2 . High decontamination factors for all of the metal impurities required near complete conversion to chloride. It was concluded that oxygen contamination of the feed gas stream likely limits the conversion to chlorides by forming oxides instead, which then limits the volatilization of contaminants. Uranium was particularly challenging to remove in experiments suspected of having high oxygen contamination in the feed gas stream. After switching to ultra-high purity (99.999%) Cl 2 , complete conversion to chlorides within the measurement error was possible for the entire temperature range studied. Decontamination factors for aluminum, iron, gallium, and uranium were found to have average values of 1.9, 9.8, 14, and 5, respectively, at 973 K. While the process was most extensively studied using a once-through gas flow, recycling unreacted Cl 2 gas succeeded at minimizing waste while still maintaining complete conversion and similar decontamination factors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermal Analysis of Cryogenic Hydrogen Liquid Separator

During launch for the new Space Launch System (SLS) liquid hydrogen is bleed through the engines during replenish, pre-press, and extended pre-press to condition the engines prior to launch. The predicted bleed flow rates are larger than for the shuttle program. A consequence of the increased flow rates is having liquif hydrogen in the vent system, which the facilities was never designed to handle. To remedy the problem a liquid separator is being designed in the system to accumulated the liquid propellant and protect the facility flare stack (which can only handle gas). The attached document is a presentation of the current thermalfluid analysis performed for the separator and will be presented at the Thermal and Fluid Analysis Workshop (NASA workshop) next week in Cleveland, Ohio.

liquid separator↗

Short Takeoff and Vertical Landing Capability Upgraded in NASA Glenn's 9- by 15-Foot Low-Speed Wind Tunnel

The NASA Glenn Research Center supports short takeoff and vertical landing (STOVL) tests in its 9- by 15-Foot Low Speed Wind Tunnel (9 x 15 LSWT). As part of a facility capability upgrade, a dynamic actuation system (DAS) was fabricated to enhance the STOVL testing capabilities. The DAS serves as the mechanical interface between the 9 x 15 LSWT test section structure and the STOVL model to be tested. It provides vertical and horizontal translation of the model in the test section and maintains the model attitude (pitch, yaw, and roll) during translation. It also integrates a piping system to supply the model with exhaust and hot air to simulate the inlet suction and nozzle exhausts, respectively. Hot gas ingestion studies have been performed with the facility ground plane installed. The DAS provides vertical (ascent and descent) translation speeds of up to 48 in./s and horizontal translation speeds of up to 12 in./s. Model pitch variations of +/- 7, roll variations of +/- 5, and yaw variations of 0 to 180 deg can be accommodated and are maintained within 0.25 deg throughout the translation profile. The hot air supply, generated by the facility heaters and regulated by control valves, provides three separate temperature zones to the model for STOVL and hot gas ingestion testing. Channels along the supertube provide instrumentation paths from the model to the facility data system for data collection purposes. The DAS is supported by the 9 x 15 LSWT test section ceiling structure. A carriage that rides on two linear rails provides for horizontal translation of the system along the test section longitudinal axis. A vertical translation assembly, consisting of a cage and supertube, is secured to the carriage. The supertube traverses vertically through the cage on a set of linear rails. Both translation axes are hydraulically actuated and provide position and velocity profile control. The lower flange on the supertube serves as the model interface to the DAS. The supertube also serves as the exhaust path to the model and supports the hot air piping on its external surfaces. The DAS is currently being assembled at the 9 15 LSWT facility. Following assembly and installation, a series of checkouts will be performed to confirm the operation of the system.

Stark, David E.↗

A Cabin Air Separator for EVA Oxygen

Presently, the Extra-Vehicular Activities (EVAs) conducted from the Quest Joint Airlock on the International Space Station use high pressure, high purity oxygen that is delivered to the Space Station by the Space Shuttle. When the Space Shuttle retires, a new method of delivering high pressure, high purity oxygen to the High Pressure Gas Tanks (HPGTs) is needed. One method is to use a cabin air separator to sweep oxygen from the cabin air, generate a low pressure/high purity oxygen stream, and compress the oxygen with a multistage mechanical compressor. A main advantage to this type of system is that the existing low pressure oxygen supply infrastructure can be used as the source of cabin oxygen. ISS has two water electrolysis systems that deliver low pressure oxygen to the cabin, as well as chlorate candles and compressed gas tanks on cargo vehicles. Each of these systems can feed low pressure oxygen into the cabin, and any low pressure oxygen source can be used as an on-board source of oxygen. Three different oxygen separator systems were evaluated, and a two stage Pressure Swing Adsorption system was selected for reasons of technical maturity. Two different compressor designs were subjected to long term testing, and the compressor with better life performance and more favorable oxygen safety characteristics was selected. These technologies have been used as the basis of a design for a flight system located in Equipment Lock, and taken to Preliminary Design Review level of maturity. This paper describes the Cabin Air Separator for EVA Oxygen (CASEO) concept, describes the separator and compressor technology trades, highlights key technology risks, and describes the flight hardware concept as presented at Preliminary Design Review (PDR)

Graf, John C.↗

Direct flue gas capture for algae cultivation and subsequent valorization: evaluating life cycle emissions and costs

Algae cultivation and processing is an important pathway under discussion within the broader CO 2 capture and utilization umbrella. Here, we discuss the results of a life-cycle analysis and techno-economic analysis of a pilot-scale photobioreactor that uses flue gas directly from natural gas or biogas combustion at 3–5% CO 2 concentration. The system requires minimal freshwater use as it has been successfully run with industrial wastewater and has a much smaller areal footprint compared with open pond cultivation. Introducing the flue gas directly to the photobioreactor avoids the need for CO 2 separation and pressurization, which is undertaken in many other algae cultivation systems. For the end-use of the biomass, the default case assumes conversion of algae to liquid fuels via hydrothermal liquefaction. The results indicate that the pilot-scale system has a higher cost, and comparable greenhouse gas emissions compared to pond-based systems, especially as the grid is anticipated to evolve to a lower carbon intensity. The costs of algae biofuel production range from $\$12–16$ per GGE at the current pilot scale. Depending on whether the source of the carbon is fossil or biogenic, the net emissions are 68 g CO 2 e per MJ and −4 g CO 2 e per MJ respectively. If the marine algae species is used instead of the freshwater species, it offers an additional 16 g CO 2 e per MJ carbon fixation in the form of calcium carbonate. The findings point to broadly desirable trends in GHG emissions and costs, while the discussion aims to shed light on areas that could further improve the scalability of the system.

20 FOSSIL-FUELED POWER PLANTS↗

Mechanistic Tuning of Chemical Transformations for Coupling the Geo-mimicry of Acid Gas Storage with Design Strategies to Produce Clean Energy Carriers in Multi-Phase Reaction Environments (MATTER) (Final Report)

The need to diversify approaches to produce essential energy carriers such as H 2 motivate advances in thermodynamically downhill geo-inspired pathways. Currently, more than 80% of hydrogen is produced via steam methane reforming (SMR) followed by water gas shift reaction (WGSR) pathway with the co-production of CO 2 . As an alternative to introducing CO 2 separation strategies downstream such as the use of membranes, solvents, or sorbents, geo-inspired carbon mineralization is harnessed as an alternative crystallization pathway. The thermodynamically downhill carbon mineralization pathways are hypothesized to accelerate H2 conversion while separating CO 2 . The work conducted through this project discusses the mechanisms associated with coupling the water gas shift reaction (WGSR) with carbon mineralization. In addition to harnessing Ca- and Mg-bearing oxides or hydroxides that are known to be reactive for CO 2 capture, the use of earth abundant silicate minerals such as Ca- and Mg-bearing silicates, is also investigated. Key outcomes include approaches to architect Mg-silicate with well-controlled pore size distributions, probing the enhancement in H 2 yield with inherent CO 2 suppression using Ca- and Mg-bearing oxides, hydroxides, and silicates, elucidating the changes in silicate chemistry during carbon mineralization, and exploring direct integration of carbon mineralization with WGSR and the development of separate low temperature pathway for reactive CO 2 capture and mineralization are developed.

08 HYDROGEN↗

Highly efficient La/Ni co-doped strontium titanate catalyst for co-production of propylene and hydrogen from propane in protonic ceramic electrochemical cells

A highly efficient La/Ni co-doped strontium titanate (LSNT) perovskite catalyst is developed and integrated in a protonic ceramic electrochemical cell for co-production of propylene and high-purity hydrogen from commercial propane feedstock. Propane conversion and hydrogen production rate can be effectively enhanced under an applied current due to the electrochemical promotion effect and/or shifted reaction equilibrium induced by rapid separation of hydrogen product. Water vapor in the feed gas could significantly improve the catalyst stability by suppressing the coke formation. The propane conversion could reach up to 53% at 600 °C under a current density of 90 mA cm −2 . The LSNT catalyst also shows excellent tolerance for the sulfur contaminant in commercial propane gas. Finally, the excellent performance of the LSNT catalyst is attributed to the highly active and selective Ni species at the interface with the perovskite substrate, which are formed in situ via reduction-induced exsolution under reaction conditions.

interfacial active sites↗

Chemical freeze-out parameters of net-kaons in heavy-ion collisions

In this work, we study chemical freeze-out parameters for heavy-ion collisions by performing two different thermal analyses. We analyze results from thermal fits for particle yields, as well as, net-charge fluctuations in order to characterize the chemical freeze-out. The Hadron Resonance Gas (HRG) model is employed for both methods. By separating the light hadrons from the strange hadrons in thermal fits, we study the proposed flavor hierarchy. For the net-charge fluctuations, we calculate the mean-over-variance ratio of the net-kaon fluctuations in the HRG model at the five highest energies of the RHIC Beam Energy Scan (BES) for different particle data lists. We compare these results with recent experimental data from the STAR collaboration in order to extract sets of chemical freeze-out parameters for each list. We focused on particle lists which differ largely in the number of resonant states. By doing so, our analysis determines the effect of the amount of resonances included in the HRG model on the freeze-out conditions. Our findings have potential impact on various other models in the field of relativistic heavy ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Universal Solvent Viscosity Reduction via Hydrogen Bonding Disruptors

Liquid Ion Solutions LLC (DBA RoCo Global) in partnership with Carnegie Mellon University and Carbon Capture Scientific LLC, has performed lab-scale development and evaluation of novel additives that lower the viscosity of water-lean amine solvents for post-combustion carbon dioxide capture. This project focuses on developing additives that minimize the formation of long-range electrostatic and hydrogen bonding (HB) networks, decreasing the solvent viscosity, improving diffusion, and improving the process economics. The project objectives included: 1) performing computer simulation to understand the molecular interactions of the additive molecules in water-lean CO 2 capture solvents, 2) design and synthesis of HB disruptors additives, 3) performance testing with additive molecules on model amine solvents, and 4) demonstration of the effectiveness of the optimized additives in the presence of synthetic flue gas. To meet the abovementioned objectives, the project team utilized a holistic approach that combines molecular simulation, experimental testing, and economic analysis studies. The project team developed ab initio molecular model and then perform computer simulation to develop relationship between hydrogen bonding, viscosity, and performed quantitative analysis of additive on the viscosity of the solvent. The team completed computational comparative study on a range of organic functional groups such as ethers, esters, cyclic carbonates, alkanes, and ammonium salts for their effect on viscosity gaining key insights into molecular interactions and the impact of various functional groups and molecular shapes on viscosity. Assisted with molecular simulation insights, the project team conducted additive synthesis and testing, including a proof-of-concept study, additive screening, optimization, and synthetic flue gas testing. The experimental proof-of-concept study proved that the hydrogen bonding acceptors result in significant decrease of viscosities. Detailed additive screening (exploring various functionalities and molecular structures) has been performed. Several promising additives showed excellent reduction in viscosity (30-41%) at 5% additive loading, and over 50% viscosity reduction at 10% additive loading for the model solvents. The team also performed complex screening studies on additive loadings and mixing effect among additives using the design of experiments. Based on multiple screening experiments, one additive-solvent candidate was down-selected for synthetic flue gas testing. A 100-hour continuous absorption/desorption study was conducted under simulated flue gas using a lab-scale continuous capture and separation system. No degradation (for both solvent and additive) was observed based on the GC results of the solvent samples collected from the continuous study. The team conducted preliminary engineering analyses and cost-benefit analyses to quantify the potential economic benefits of the additive approach for solvent viscosity reduction. Based on the experimental data, CO 2 capture cost savings from the capital and operating cost savings are estimated at $\$$4.7/tonne and $\$$0.3/tonne CO 2 captured, respectively. Considering the additive cost, the net benefit is estimated to be between $\$$4.32~$\$$4.86/tonne CO 2 captured.

20 FOSSIL-FUELED POWER PLANTS↗