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Feasibility study to use neutron capture for an ultralow energy nuclear-recoil calibration in liquid xenon
The feasibility of an ultra-low energy nuclear-recoil measurement in liquid xenon using neutron capture is investigated for a small (sub-kilogram) liquid xenon detector that is optimized for a high scintillation gain, and a pulsed neutron source. Further, the measurement uses the recoil energies imparted to xenon nuclei during the de-excitation process following neutron capture, where promptly emitted γ cascades can provide the nuclei with up to 0.3 keV nr of recoil energy due to conservation of momentum. A successful calibration of scintillation photon and ionization electron yields below this energy will contribute to a greater sensitivity for liquid xenon experiments in searches for light WIMPs.
Chiral Effective Field Theory Predictions for Muon Capture on Deuteron and 3 He
Not Available
Capturing Cyclic Variability in EGR Dilute SI Combustion using Multi-Cycle RANS
Dilute combustion is an effective approach to increase the thermal efficiency of spark-ignition (SI) internal combustion engines (ICEs). However, high dilution levels typically result in large cycle-to-cycle variations (CCV) and poor combustion stability, therefore limiting the efficiency improvement. In order to extend the dilution tolerance of SI engines, advanced ignition systems are the subject of extensive research. When simulating the effect of the ignition characteristics on CCV, providing a numerical result matching the measured average in-cylinder pressure trace does not deliver useful information regarding combustion stability. Typically Large Eddy Simulations (LES) are performed to simulate cyclic engine variations, since Reynold-Averaged Navier-Stokes (RANS) modeling is expected to deliver an ensemble-averaged result. In this paper it is shown that, when using RANS, the cyclic perturbations coming from different initial conditions at each cycle are not damped out even after many simulated cycles. As a result, multi-cycle RANS results feature cyclic variability. This allows evaluating the effect of advanced ignition sources on combustion stability but requires validation against the entire cycle-resolved experimental dataset. A single-cylinder GDI research engine is simulated using RANS and the numerical results for 20 consecutive engine cycles are evaluated for several operating conditions, including stoichiometric as well as EGR dilute operation. The effect of the ignition characteristics on CCV is also evaluated. Results show not only that multi-cycle RANS simulations can capture cyclic variability and deliver similar trends as the experimental data, but more importantly that RANS might be an effective, lower-cost alternative to LES for the evaluation of ignition strategies for combustion systems that operate close to the stability limit.
Carbon Capture Simulation Initiative: A Case Study in Multi-Scale Modeling and New Challenges
Abstract: Advanced multi-scale modeling and simulation has the potential to dramatically reduce development time, resulting in considerable cost savings. The Carbon Capture Simulation Initiative is a partnership among national laboratories, industry and universities that is developing and deploying a suite of multi-scale modeling and simulation tools including basic data submodels, steady-state and dynamic process models, process optimization and uncertainty quantification tools, an advanced dynamic process control framework, high-resolution filtered computational-fluid-dynamic (CFD) submodels, validated high-fidelity device-scale CFD models with quantified uncertainty, and a risk analysis framework. These tools and models enable basic data submodels, including thermodynamics and kinetics, to be used within detailed process models to synthesize and optimize a process. The resulting process informs the development of process control systems and more detailed simulations of potential equipment to improve the design and reduce scale-up risk. Quantification and propagation of uncertainty across scales is an essential part of these tools and models.
Techno-Economic Optimization for Point-Source Solvent-Based CO2 Capture Systems at High Capture Levels
The presentation provides details on the research work done by the CCSI2 team on techno-economic modeling and optimization of an MEA solvent-based carbon capture system connected to a large scale NGCC power plant, at high CO2 capture levels above 90%. This includes an overview of the process and economic models along with the optimization results.
Integrated Carbon Capture and Propane Oxidative Dehydrogenation for Olefins Production under Isothermal Conditions over Cr₂O₃-ZSM-5/CaO-CaZrO₃ Reactive Capture Materials
Converting captured CO₂ into fuels and marketable chemicals using bifunctional materials (BFMs) represents a promising sustainable solution. In this study, a BFM composed of a Cr₂O₃/ZSM-5 catalyst and a CaO-CaZrO₃ sorbent was developed and tested for the integrated CO₂-oxidative dehydrogenation of propane (CO₂-ODHP) in a fixed bed reactor. The CaO-CaZrO₃ sorbent, prepared using the citrate sol-gel method, demonstrated high CO₂ adsorption capacity and improved cyclic stability compared to pure CaO. The BFM achieved 23.5% propane conversion, 52.5% propylene selectivity, and 68.7% olefin selectivity at isothermal adsorption-reaction conditions (630-630 °C). Overall, this study provides insights into enhancing CO2 adsorption and developing materials for integrated CO2 capture and conversion.
Trajectory-capture cell instrumentation for measurement of dust particle mass, velocity and trajectory, and particle capture
The development of the polyvinylidene fluoride (PVDF) dust detector for space missions--such as the Halley Comet Missions where the impact velocity was very high as well as for missions where the impact velocity is low was extended to include: (1) the capability for impact position determination - i.e., x,y coordinate of impact; and (2) the capability for particle velocity determination using two thin PVDF sensors spaced a given distance apart - i.e., by time-of-flight. These developments have led to space flight instrumentation for recovery-type missions, which will measure the masses (sizes), fluxes and trajectories of incoming dust particles and will capture the dust material in a form suitable for later Earth-based laboratory measurements. These laboratory measurements would determine the elemental, isotopic and mineralogical properties of the captured dust and relate these to possible sources of the dust material (i.e., comets, asteroids), using the trajectory information. The instrumentation described here has the unique advantages of providing both orbital characteristics and physical and chemical properties--as well as possible origin--of incoming dust.
Incorporation of Alkylamine into Metal-Organic Frameworks through a Brønsted Acid-Base Reaction for CO 2 Capture
A Brønsted acid-base reaction based method was employed to tether alkylamine into Cr-MIL-101-SO 3 H for CO 2 capture. A systematic optimization of the amine tethering process was also conducted to maximize the CO 2 uptake of the modified MOF. Under the optimal amine tethering condition, the obtained TAEA functionalized Cr-MIL-101-SO 3 H (Cr-MIL-101-SO 3 H-TAEA, TAEA = Tris(2-aminoethyl)amine) has cyclic CO 2 uptakes of 2.28 mmol/g -1 at 150 mbar and 40 °C, and 1.12 mmol/g -1 at 0.4 mbar and 20 °C. The low-cost starting materials and simple synthetic procedure of Cr-MIL-101-SO 3 H-TAEA all promise its advantages in large-scale production in practical applications.
Enhanced carbon dioxide capture upon incorporation of N,N'-dimethylethylenediamine in the metal–organic framework CuBTTri
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Evaluating different classes of porous materials for carbon capture
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Encapsulation of highly viscous CO 2 capture solvents for enhanced capture kinetics: Modeling investigation of mass transfer mechanisms
The encapsulation of highly viscous liquid-like Nanoparticle Organic Hybrid Materials (NOHMs) inside a gas permeable polymer to form SIPs (Solvent Impregnated Polymers) significantly enhanced the CO 2 capture kinetics of NOHMs, leading to a remarkable 50-fold increase in CO 2 flux compared to the neat NOHMs. To understand the mechanism for enhanced CO 2 mass transfer within these hybrid materials, kinetic modeling of CO 2 uptake into SIPs containing polyethylenimine functionalized NOHMs, denoted NPEI-SIP, was conducted. CO 2 mass transfer into NPEI-SIP films was found to conform, both qualitatively and quantitatively, with a diffusion-controlled moving front model. The diffusion-controlled model was also used to simulate CO 2 uptake within a fixed bed containing polydisperse NPEI-SIP particles, and this model accurately predicted experimentally measured breakthrough curves at 25 °C and 50 °C. The 50-fold increase in gas flux was shown to be a consequence of the very large CO 2 permeability within the polymer–solvent composite. Furthermore, the increase in gas flux is also dependent on the diffusion–reaction regime in which the chemical solvent operates, and the largest improvement will occur when immobilizing solvents, such as NOHMs, which operate in the instantaneous-reaction regime. The CO 2 capacity (~3 mol CO 2 /kg) and saturation time (~5 min) of 430 μm SIP particles were comparable to popular CO 2 chemisorption materials such as amine grafted silicates, in spite of the slow kinetics of NOHM-I-PEI in liquid form (CO 2 saturation time ~24 h for a 1 mm thin film).
Carbon capture test unit design and development using amine-based solid sorbent
Not Available
Polyacrylonitrile-Chalcogel Hybrid Sorbents for Radioiodine Capture
Powders of a Sn2S3 chalcogen-based aerogel (chalcogel) were combined with powdered polyacrylonitrile (PAN) in different mass ratios (SnS33, SnS50, and SnS70 in mass% of chalcogel), dissolved into dimethyl sulfoxide, and dropped into deionized water to form pellets of a porous PAN-chalcogel hybrid material. Pellets of these hybrid sorbents, along with pure powdered (SnSp) and granular (SnSg) forms of the chalcogel, were then used to adsorb iodine gas under both concentrated and dilute conditions. Both the SnSp and SnSg chalcogels showed very high maximum iodine loadings at 67.2 and 68.3 mass%. The maximum iodine loadings in the SnS33 and SnS50 were high at 32.8 and 53.5 mass%. In all cases, X-ray diffraction results showed the formation of Sn-I phases of SnI4 and SnI4(S8)2 revealing that the iodine binding in these materials is mainly due to a chemisorption process although some evidence also exists that supports a physisorption process.
Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture
Large-scale simulations of aluminosilicate zeolites were conducted to identify structures that possess large CO2 uptake for postcombustion carbon dioxide capture. In this study, we discovered that the aluminosilicate zeolite structures with the highest CO2 uptake values have an idealized silica lattice with a large free volume and a framework topology that maximizes the regions with nearest-neighbor framework atom distances from 3 to 4.5 angstrom. These predictors extend well to different Si:Al ratios and for both Na+ and Ca2+ cations, demonstrating their universal applicability in identifying the best-performing aluminosilicate zeolite structures.