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Near-Optimal Solutions for Day-Ahead Unit Commitment
Given the difficulty and the time pressure of solving unit commitment problems, near -optimal solutions (those with 0.1 or 0.001% optimality gaps) are often used in practice. The choice in which of the near -optimal solutions is used, however, is random. We investigate the impact of solution choice on the revenues obtained by generator owners across a variety of pricing schemes and problem instances.
Efficacy of a Solution-Based Approach for Making Sodalite Waste Forms for an Oxide Reduction Salt Utilized in the Reprocessing of Used Uranium Oxide Fuel
This paper describes various approaches for making sodalite with a LiCl-Li2O oxide reduction salt used to recover uranium from used oxide fuel. The approaches include sol-gel and solution-based synthesis processes. As-made products were mixed with 5 and 10 mass% of a Na2O-B2O3-SiO2 glass binder and these, along with product without a binder, were heated using either a cold-press-and-sinter method or hot uniaxial pressing. The results demonstrate the limitation of sodalite yield due to the fast intermediate reactions between Na+ and Cl- to form halite in solution and Li2O and SiO2 to form lithium silicates (e.g., Li2SiO3 or Li2Si2O5) in the calcined and sintered pellets. The results show that pellets can be made with high sodalite fractions (~92 mass%) and low porosities using a solution-based approach and this LiCl-Li2O salt.
ZrB 2 -HfB 2 solid solutions as electrode materials for hydrogen reaction in acidic and basic solutions
Spark plasma sintered transition metal diborides such as HfB 2 , ZrB 2 and their solid solutions were investigated as electrode materials for electrochemical hydrogen evolutions reactions (HER) in 1 M H 2 SO 4 and 1 M NaOH electrolytes. HfB 2 and ZrB 2 formed complete solid solutions when mixed in 1:1, 1:4, and 4:1 ratios and they were stable in both electrolytes. The HER kinetics of the diborides were slower in the basic solution than in the acidic solutions. The Tafel slopes in 1 M H 2 SO 4 were in the range of 0.15 - 0.18 V/decade except for pure HfB 2 which showed a Tafel slope of 0.38 V/decade. In 1 M NaOH the Tafel slopes were in the range of 0.12 - 0.27 V/decade. The composition of Hf x Zr 1-x B 2 solid solutions with x = 0.2 - 0.8, influenced the exchange current densities, overpotentials and Tafel slopes of the HER. As a result, the EIS data were fitted with a porous film equivalent circuit model in order to better understand the HER behavior. In addition, modeling calculations, using density functional theory approach, were carried out to estimate the density of states and band structure of the boride solid solutions.
In-Situ 27Al NMR Spectroscopy of Aluminate in Sodium Hydroxide Solutions Above and Below Saturation with Respect to Gibbsite
Aluminum hydroxide (Al(OH)3, gibbsite) dissolution and precipitation processes in alkaline environments play a commanding role in aluminum refining and nuclear waste processing, yet mechanistic aspects underlying sluggish kinetics during crystallization have remained obscured due to a lack of in situ probes capable of isolating incipient ion pairs. At a molecular level Al is cycling between tetrahedral (Td) coordination in solution to octahedral (Oh) in the solid. We explored dissolution of Al(OH)3 that prepared variably saturated aluminate (Al(OH)4 -)-containing solutions under alkaline conditions (pH > 13) with in-situ 27Al magic angle spinning (MAS)-nuclear magnetic resonance (NMR) spectroscopy, and interrogated the results with ab initio molecular dynamics (AIMD) simulations complemented with chemical shift calculations based on high level theory. The collective results highlight the overall stability of the solvation structure for Td Al in the Al(OH)4 - oxyanion as a function of both temperature and Al concentration. The observed chemical shift did not change significantly even when the Al concentration in solution became supersaturated upon cooling and limited precipitation of the octahedral Al(OH)3 phase occurred. However, subtle changes in Al(OH)4 - speciation correlated with the dissolution/precipitation reaction were found. AIMDinformed chemical shift calculations indicate that measurable perturbations should begin when the Al(OH)4 -?Na+ distance is less than 6 Å, increasing dramatically at shorter distances, coinciding with appreciable changes to the electrostatic interaction and reorganization of the Al(OH)4 - solvation shell. The integrated findings thus suggest that, at conditions incipient to and concurrent with gibbsite crystallization, nominally expected contact ion pairs are insignificant and instead medium-range (4 – 6 Å) solvent-separated Al(OH)4 -?Na+ pairs predominate. Moreover, the fact that these medium-range interactions bear directly on resulting gibbsite characteristics was demonstrated by detailed microscopic and X-ray diffraction analysis, and by progressive changes in the FWHM of the Oh resonance, as measured by in-situ NMR. Sluggish gibbsite crystallization may arise from the activation energy associated with disrupting this robust medium-range ion pair interaction.
Design of Distributed Controllers Seeking Optimal Power Flow Solutions Under Communication Constraints
This paper focuses on power distribution networks featuring inverter-interfaced distributed energy resources (DERs), and develops feedback controllers that drive the DER output powers to solutions of time-varying AC optimal power flow (OPF) problems. Control synthesis is grounded on primal-dual-type methods for regularized Lagrangian functions, as well as linear approximations of the AC power-flow equations. Convergence and OPF-solution-tracking capabilities are established while acknowledging: i) communication-packet losses, and ii) partial updates of control signals. The latter case is particularly relevant since it enables asynchronous operation of the controllers where DER setpoints are updated at a fast time scale based on local voltage measurements, and information on the network state is utilized if and when available, based on communication constraints. As an application, the paper considers distribution systems with high photovoltaic integration, and demonstrates that the proposed framework provides fast voltage-regulation capabilities, while enabling the near real-time pursuit of solutions of AC OPF problems.
Regression-Based Analytics for Response Dynamics of SDN Solutions and Components
We consider Software-Defined Network (SDN) solutions that dynamically setup and teardown connections, and also their response dynamics of connectivity and TCP throughput. There is a wide variety of choices for controllers, switches, andsoftware modules, and objective analytics of measurements are needed to compare the response dynamics of solutions based on their combinations. Throughput and ping measurements during connection changes contain significant statistical variations due to the complexities of controllers, northbound scripts, and network devices. We propose analytical methods to estimate response regression functions, which provide a rigorous and objective comparison of different SDN solutions and their components, namely, controllers, switches, and OpenFlow versions. We apply this approach in two scenarios: (a) switching of long-haul connections emulated in hardware by ANUE devices over a testbed consisting of HP and Cisco switches, and (b) multi-site science infrastructure emulated using VMs and Mininet. The results provide useful practical insights including: (i) the dpctl method responds seconds faster than the OpenDayLight (ODL) method on average under OpenFlow 1.0, but performs similar to ODL under OpenFlow 1.3, and (ii) the ping response of dpctl is about 0.6 sec faster than ODL for the second scenario.
Software-Defined Network Solutions for Science Scenarios: Performance Testing Framework and Measurements
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Analytical solutions of the planar cyclic voltammetry process for two soluble species with equal diffusivities and fast electron transfer using the method of eigenfunction expansions
Cyclic voltammetry is a powerful tool that is used for characterizing electrochemical processes. Models of cyclic voltammetry take into account the mass transport of species and the kinetics at the electrode surface. Analytical solutions of these models are not well-known due to the complexity of the boundary conditions. In this study we present closed form analytical solutions of the planar voltammetry model for two soluble species with fast electron transfer and equal diffusivities using the eigenfunction expansion method. Our solution methodology does not incorporate Laplace transforms and yields good agreement with the numerical solution. This solution method can be extended to cases that are more general and may be useful for benchmarking purposes.
A coupled ordinates method for solution acceleration of rarefied gas dynamics simulations
Non-equilibrium rarefied flows are frequently encountered in a wide range of applications, including atmospheric re-entry vehicles, vacuum technology, and microscale devices. Rarefied flows at the microscale can be effectively modeled using the ellipsoidal statistical Bhatnagar–Gross–Krook (ESBGK) form of the Boltzmann kinetic equation. Numerical solutions of these equations are often based on the finite volume method (FVM) in physical space and the discrete ordinates method in velocity space. However, existing solvers use a sequential solution procedure wherein the velocity distribution functions are implicitly coupled in physical space, but are solved sequentially in velocity space. This leads to explicit coupling of the distribution function values in velocity space and slows down convergence in systems with low Knudsen numbers. Furthermore, this also makes it difficult to solve multiscale problems or problems in which there is a large range of Knudsen numbers. In this paper, we extend the coupled ordinates method (COMET), previously developed to study participating radiative heat transfer, to solve the ESBGK equations. In this method, at each cell in the physical domain, distribution function values for all velocity ordinates are solved simultaneously. This coupled solution is used as a relaxation sweep in a geometric multigrid method in the spatial domain. Enhancements to COMET to account for the non-linearity of the ESBGK equations, as well as the coupled implementation of boundary conditions, are presented. The methodology works well with arbitrary convex polyhedral meshes, and is shown to give significantly faster solutions than the conventional sequential solution procedure. Acceleration factors of 5–9 are obtained for low to moderate Knudsen numbers on single processor platforms.
Thermodynamic analysis of energy density in pressure retarded osmosis: The impact of solution volumes and costs
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Ions interacting in solution: Moving from intrinsic to collective properties
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Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution
Significance Increasing global population, urbanization, and climate change pose tremendous constraints on water availability. While membrane processes offer attractive, energy-efficient options, transformative advances in membrane technology are needed to enable reuse of poor-quality waters from diverse sources. This work brings fundamental understanding of solute–surface interactions to membrane phenomena, including selectivity and fouling. Molecular simulations reveal limitations of traditional predictive measures of solute–surface partitioning, suggesting alternative thermodynamic signatures for solute binding that highlight the contextual nature of hydrophobicity. An inverse design algorithm provides a tool to pattern membrane nanoscale chemistry to optimize solute affinity and selectivity. This work demonstrates how simulations can inform practical materials design for sustainable water treatment and, more broadly, many technologies involving water-mediated solute–surface interactions.
ActiveBAS: A Low-cost, Scalable Control Solution for Grid-Interactive Small and Medium Sized Commercial Buildings
This project aims to develop and enhance a low-cost, highly scalable control solution for Small and Medium-Sized Commercial Buildings (SMCB), assess the business potential at multiple sites, and perform commercialization efforts. The technology can be applied to any buildings served by multiple units, with the benefits being greatest for open-spaced buildings, such as banks, retail stores, restaurants, and factories. This project aims to develop an affordable control solution for: 1) SMCB grid responsiveness, 2) reduction of GHG by changing unit operations, 3) greater reduction in utility costs, and 4) rapid adoption in the marketplace. The proposed technology will be built on a previously developed and demonstrated MPC solution. The minimal sensor requirement and less need of control expertise are the unique feature of the algorithm that leads to low capital and maintenance costs, and short installation and implementation time. These attributes contribute to low capital and maintenance costs, as well as a short installation and implementation time. However, these advantages come with a trade-off: increased difficulties and unreliability when applying traditional modeling and MPC control approaches due to limited information. This final report describes the modeling approaches developed and tested to overcome these challenges. It begins by outlining the modeling challenge posed by minimal sensor requirements, then delves into the proposed modeling approaches, which primarily involve system identification. Finally, preliminary test results for a simulation case study are presented.
Periodic solutions about the collinear Lagrangian solution in the general problem of three bodies
The article describes the solutions near Lagrange's circular collinear configuration in the planar problem of three bodies with three finite masses. The article begins with a detailed review of the properties of Lagrange's collinear solution. Lagrange's quintic equation is derived and several expressions are given for the angular velocity of the rotating frame. The equations of motion are then linearized near the circular collinear solution, and the characteristic equation is also derived in detail. The different types of roots and their corresponding solutions are discussed. The special case of two equal outer masses receives special attention, as well as the special case of two small outer masses. Finally, the fundamental family of periodic solutions is extended by numerical integration all the way up to and past a binary collision orbit. The stability and the bifurcations of this family are briefly enumerated.