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At least 631 records · Page 35

Dynamic Evolution of Cement Composition and Transport Properties under Conditions Relevant to Geological Carbon Sequestration

Assessing the possibility of CO{sub 2} leakage is one of the major challenges for geological carbon sequestration. Injected CO{sub 2} can react with wellbore cement, which can potentially change cement composition and transport properties. In this work, we develop a reactive transport model based on experimental observations to understand and predict the property evolution of cement in direct contact with CO{sub 2}-saturated brine under diffusion-controlled conditions. The model reproduced the observed zones of portlandite depletion and calcite formation. Cement alteration is initially fast and slows down at later times. This work also quantified the role of initial cement properties, in particular the ratio of the initial portlandite content to porosity (defined here as φ), in determining the evolution of cement properties. Portlandite-rich cement with large φ values results in a localized “sharp” reactive diffusive front characterized by calcite precipitation, leading to significant porosity reduction, which eventually clogs the pore space and prevents further acid penetration. Severe degradation occurs at the cement–brine interface with large φ values. This alteration increases effective permeability by orders of magnitude for fluids that preferentially flow through the degraded zone. The significant porosity decrease in the calcite zone also leads to orders of magnitude decrease in effective permeability, where fluids flow through the low-permeability calcite zone. The developed reactive transport model provides a valuable tool to link cement–CO{sub 2} reactions with the evolution of porosity and permeability. It can be used to quantify and predict long-term wellbore cement behavior and can facilitate the risk assessment associated with geological CO{sub 2} sequestration.

54 ENVIRONMENTAL SCIENCES↗

Three-Phase AC Optimal Power Flow Based Distribution Locational Marginal Price

Designing market mechanisms for electricity distribution systems has been a hot topic due to the increased presence of smart loads and distributed energy resources (DERs) in distribution systems. The distribution locational marginal pricing (DLMP) methodology is one of the real-time pricing methods to enable such market mechanisms and provide economic incentives to active market participants. Determining the DLMP is challenging due to high power losses, the voltage volatility, and the phase imbalance in distribution systems. Existing DC Optimal Power Flow (OPF) approaches are unable to model power losses and the reactive power, while single-phase AC OPF methods cannot capture the phase imbalance. To address these challenges, in this paper, a three-phase AC OPF based approach is developed to define and calculate DLMP accurately. The DLMP is modeled as the marginal cost to serve an incremental unit of demand at a specific phase at a certain bus, and is calculated using the Lagrange multipliers in the three-phase AC OPF formulation. Extensive case studies have been conducted to understand the impact of system losses and the phase imbalance on DLMPs as well as the potential benefits of flexible resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A level-set immersed boundary method for reactive transport in complex topologies with moving interfaces

A simulation framework based on the level-set and the immersed boundary methods (LS-IBM) has been developed for reactive transport problems in porous media involving a moving solid-fluid interface. The interface movement due to surface reactions is tracked by the level-set method, while the immersed boundary method captures the momentum and mass transport at the interface. The proposed method is capable of accurately modeling transport near evolving boundaries in Cartesian grids. The framework formulation guarantees second order accuracy in space. Since the interface velocity is only defined at the moving boundary, an interface velocity propagation method is also proposed. The method can be applied to other moving interface problems of the “Stefan” type. Here, we validate the proposed LS-IBM both for flow and transport close to an immersed object with reactive boundaries as well as for crystal growth. Lastly, the proposed method provides a powerful tool to model more realistic problems involving moving reactive interfaces in complex domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dielectric barrier structure with hollow electrodes and its recoil effect

A dielectric barrier structure with hollow electrodes (HEDBS), in which gas flow oriented parallel to the electric field, was proposed. Results showed that with this structure, air can be effectively ignited, forming atmospheric low temperature plasma, and the proposed HEDBS could achieve much higher electron density (5 × 10{sup 15}/cm{sup 3}). It was also found that the flow condition, including outlet diameter and flow rate, played a key role in the evolution of electron density. Optical emission spectroscopy diagnostic results showed that the concentration of reactive species had the same variation trend as the electron density. The simulated distribution of discharge gas flow indicated that the HEDBS had a strong recoil effect on discharge gas, and could efficiently promote generating electron density as well as reactive species.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Visual Tool for Assessing Stability of DER Configurations on Three-Phase Radial Networks

Here, we present a method and tool for evaluating the placement of Distributed Energy Resources (DER) on distribution circuits in order to control voltages and power flows. Our previous work described Phasor-Based Control (PBC), a novel control framework where DERs inject real and reactive power to track voltage magnitude and phase angle targets. Here, we employ linearized power flow equations and integral controllers to develop a linear state space model for PBC acting on a three-phase unbalanced network. We use this model to evaluate whether a given inverter-based DER configuration admits a stable set of controller gains, which cannot be done by analyzing controllability nor by using the Lyapunov equation. Instead, we sample over a parameter space to identify a stable set of controller gains. Our stability analysis requires only a line impedance model and does not entail simulating the system or solving an optimization problem. We incorporate this assessment into a publicly available visualization tool and demonstrate three processes for evaluating many control configurations on the IEEE 123-node test feeder (123NF).

24 POWER TRANSMISSION AND DISTRIBUTION↗

PERFORMANCE CHARACTERISTICS OF A VECTOR SENSOR ARRAY IN AN ENERGETIC TIDAL CHANNEL

A compact three-dimensional vector sensor array (termed the NoiseSpotter) was recently developed with the goal of characterizing and localizing sources of sound in energetic environments such as those where marine renewable energy devices are likely to be located. The three vector sensors on the NoiseSpotter are mounted on a bottom platform with each sensor suspended inside an optional flow noise removal shield. The multiple pressure and particle velocity channels on the NoiseSpotter are simultaneously sampled and stored on-board to enable coherent array processing of vector sensor array data. A series of field trials were conducted where the NoiseSpotter was deployed on a bottom platform in an 8 m deep tidal channel in Sequim Bay, Washington. Pure tones were transmitted from a drifting vessel whose distance from the bottom platform varied between 50 m and 500 m. The effect of flow noise on vector sensor array performance is quantified along with the detectability of low intensity sound in an energetic environment. Flow noise removal efficiency for each channel of every vector sensor is demonstrated using multiple metrics derived from the active and reactive intensities computed using the pressure-velocity cross-spectral density matrix. A flow noise removal shield is shown to improve the detectability of low intensity sound such as those that are expected to be emitted by marine renewable energy devices.

Raghukumar, Kaustubha↗

Decentralized Control of Cascaded H-Bridge Inverters for Medium-Voltage Grid Integration: Preprint

This paper introduces a fully decentralized control strategy that allows for individualized active and reactive power control of H-bridge inverters connected in series. After formulating a model of the system power flows, we outline a communications-free approach where each inverter can act on independent commands. Inverter-level feedback is accomplished locally via a measurement of current flowing through the stack. A key feature is the lack of any centralized control routines or phase-locked loop. In this framework, the reactive power control loops achieve voltage synchronization among the converters and the grid, and the active power control loops modulate the terminal voltage amplitudes that influence power delivery. Furthermore, pole placement via state feedback is used to ensure stability of voltage synchronization while also enabling tracking of bidirectional power commands. Simulations are presented to validate the proposed approach.

communication-free modular converter control↗

Linearized Distribution Optimal Power Flow for OEDI SI

This research is to meant to demonstrate the OEDI SI use case for distributed optimal power flow (DOPF). The goal was to formulate the optimal power flow problem in the distribution system for active and reactive power setpoints of PV systems using topology information and voltage measurements. The co-simulation runs every 15 minutes as outlined within the scenario file for the given feeder configuration. The linked GitHub repository includes five federates to achieve DOPF for the small, medium, large, and IEEE 123 feeder scenarios. We are using the OEDI SI framework, as well as the example feeder, sensor, recorder, and estimator federates provided in the example repository for OEDI SI. We also provide a runner script for switching between scenarios.

algorithm↗

High performance N2O4/amine elements

An analytical and experimental investigation was conducted to develop an understanding of the mechanisms that cause reactive stream separation, commonly called blowapart, for hypergolic propellants. The investigation was limited to a N2O4/MMH propellant combination and to a range of engine-operating conditions applicable to the space tug and space shuttle attitude control and orbital maneuvering engines. Primary test variables were: chamber pressure (1 to 20 atm), fuel injection temperature (283 to 400 K)m and propellant injection velocity (9 to 50 m/s). The injector configuration studied was the unlike doublet. The reactive stream separation experiments were conducted using special combustors designed to permit photography of the near-injector spray combustion flow field. Analysis of color motion pictures provided the means of determining the occurrence of reactive stream separation.

Falk, A. Y.↗

High Performance N2O4/Amine Elements

An analytical and experimental investigation was conducted to develop an understanding of the mechanisms that cause reactive stream separation, commonly called blowapart, for hypergolic propellants. The investigation was limited to the N2O4/MMH propellant combination and to a range of engine-operating conditions applicable to the space tug and space shuttle attitude control and orbital maneuvering engines. Primary test variables were: chamber pressure (1 to 20 atm), fuel injection temperature (283 to 400 K)m and propellant injection velocity (9 to 50 m/s). The injector configuration studied was the unlike doublet. The reactive stream separation experiments were conducted using special combustors designed to permit photography of the near-injector spray combustion flow field. Analysis of color motion pictures provided the means of determining the occurrence of reactive stream separation.

Falk, A. Y.↗

Effects of gas flow on oxidation reaction in liquid induced by He/O{sub 2} plasma-jet irradiation

We present here analysis of oxidation reaction in liquid by a plasma-jet irradiation under various gas flow patterns such as laminar and turbulence flows. To estimate the total amount of oxidation reaction induced by reactive oxygen species (ROS) in liquid, we employ a KI-starch solution system, where the absorbance of the KI-starch solution near 600 nm behaves linear to the total amount of oxidation reaction in liquid. The laminar flow with higher gas velocity induces an increase in the ROS distribution area on the liquid surface, which results in a large amount of oxidation reaction in liquid. However, a much faster gas flow conversely results in a reduction in the total amount of oxidation reaction in liquid under the following two conditions: first condition is that the turbulence flow is triggered in a gas flow channel at a high Reynolds number of gas flow, which leads to a marked change of the spatial distribution of the ROS concentration in gas phase. Second condition is that the dimpled liquid surface is formed by strong gas flow, which prevents the ROS from being transported in radial direction along the liquid surface.

42 ENGINEERING↗

Linear optimal power flow system and method

An electric power system or power grid is optimized using a computer-implemented tool the represents in computer memory the optimization function and at least one constraint, which the processor operates upon using a linear programming solver algorithm. The constraints are represented in memory as data structures that include both real and reactive power terms, corresponding to at least one of a power flow model and a transmission line model. The transmission line model is represented using a piecewise linear representation. The power flow model may also include for each node in the power system a real power loss term representing transmission line loss allocated to that node.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Pele: An Exascale-Ready Suite of Combustion Codes

High fidelity simulations of realistic combustion devices are extremely demanding computationally because of the requirements to capture complex fuel chemical decomposition, its intricate interactions with turbulent, often multiphase, flows, and the wide separation of space and time scales between the thin flame and the device boundaries. Software required to carry out such computations tends to be extremely complex, particularly when designed to exploit hardware accelerators, and can be difficult to port and maintain. We present Pele, a performance portable suite of tools for the simulation of combustion systems, including codes to evolve reactive multiphase configurations in the low Mach number and compressible flow regimes, along with a set of inter-compatible post processing and in situ analysis tools. The Pele suite of tools is built on top of the AMReX framework for block-structured adaptive mesh refinement, which provides efficient data structures and algorithms that enable the development of a wide variety of efficient mesh and particle based PDE integration schemes. A hierarchical MPI+X parallelism scheme supports CPU-only and accelerated architectures, where X can be OpenMP, CUDA, and HIP based approaches for intra-node computational work distribution. The algorithms and data structures underlying the Pele simulation and analysis tools are highly scalable and performant across a wide variety of high-performance computing platforms, including DOEs newest exascale-class machines, Frontier and Aurora. The simulation and analysis tools are fully documented and freely distributed as open source via GitHub. We present key algorithmic and software challenges, solution strategies, performance and resulting set of capabilities.

AMReX↗

Etching of Si 3 N 4 induced by electron beam plasma from hollow cathode plasma in a downstream reactive environment

An etching system based on the interaction of electrons extracted from a direct current (DC) hollow-cathode (HC) Ar plasma and injected towards a Si3N4 covered silicon substrate located in the downstream reactive environment created by an additional remote CF 4 /O 2 plasma source was developed and evaluated. By controlling the properties of the injected beam electrons, this approach allows to deliver energy to a surface functionalized by exposure to reactive species, and initiate surface etching. The energy of the primary beam electrons is controlled by the acceleration voltage relative to the HC discharge. Ar atoms flow from the high-pressure HC discharge into the low pressure downstream reactive environment in the process chamber. For an acceleration voltage greater than the ionization potential of Ar and/or process gas species, the energetic primary beam electrons produce a secondary plasma in the process chamber, and can also cause additional dissociation. We have characterized the properties of the secondary plasma and also surface etching of Si 3 N 4 as a function of process parameters, including acceleration voltage (0-80 V), discharge current of the HC discharge (1-2 A), pressure (3.5-20 mTorr), source to substrate distance (1.5 to 5 cm), and feed gas composition (20% and 80% O2 in CF 4 /O 2 ). The electron energy probability function (EEPF) measured with a Langmuir probe about 2.5 cm below the extraction ring suggests several major groups of electrons for this situation, including high energy primary beam electrons with an energy that varies as the acceleration voltage is changed and low energy electrons produced by beam electron-induced ionization of the Ar gas in the process chamber. When a remote CF 4 /O 2 plasma is additionally coupled to the process chamber, Si 3 N 4 surfaces can be functionalized, and by varying the energy of the beam electrons, Si 3 N 4 etching can be induced by electron-neutral synergy effect with plasma-surface interaction. For conditions without beam electron injection, the remote plasma etching rate (ER) of Si 3 N 4 depends strongly on the O 2 concentration in the CF 4 /O 2 processing gas mixture and can be suppressed for O 2 -rich process conditions by the formation of a SiONF passivation layer on the Si 3 N 4 surface. The combination of the HC electron beam source with the remote plasma source (HCEB-RP) makes it possible to induce Si 3 N 4 etching for O 2 -rich remote plasma conditions where remote plasma by itself produces negligible Si 3 N 4 etching. The electron enhanced etching of Si 3 N 4 depends strongly on O 2 /CF 4 mixing ratio reflecting changing arrival rates of O and F species at the surface. Optical emission spectroscopy was used to estimate the ratio of gas phase F and O densities and found to be controlled by the gas mixing ratio and independent of HC EB operating conditions. At this time the detailed sequence of events operative in the etching mechanism is unclear. While the increase of the electron energy is ultimately responsible for initiating surface etching, at present we cannot rule out a role of ions from the simultaneously produced secondary plasma in plasma surface interaction mechanisms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Exploring an ‘ideal hill': how lithology and transport mechanisms affect the possibility of a steady state during weathering and erosion

We introduce a model of chemical reaction within hills to explore how evolving porosity (and by inference, permeability) affects flow pathways and weathering. The model consists of hydrologic and reactive-transport equations that describe alteration of ferrous minerals and feldspar. These reactions were chosen because previous work emphasized that oxygen- and acid-driven weathering affects porosity differently in felsic and mafic rocks. A parameter controlling the order of the fronts is presented. In the absence of erosion, the two reaction fronts move at different velocities and the relative depths depend on geochemical conditions and starting composition. In turn, the fronts and associated changes in porosity drastically affect both the vertical and lateral velocities of water flow. For these instances, estimates of weathering advance rates based on simple models that posit unidirectional constant-velocity advection do not apply. In the model hills, weathering advance rates diminish with time as the Darcy velocities decrease with depth. The system can thus attain a dynamical steady state at any erosion rate where the regolith thickness is constant in time and velocities of both fronts become equal to one another and to the erosion rate. The slower the advection velocities in a system, the faster it attains a steady state. For example, a massive rock with relatively fast-dissolving minerals such as diabase -- where solute transport across the reaction front mainly occurs by diffusion -- can reach a steady state more quickly than granitoid rocks in which advection contributes to solute transport. The attainment of a steady state is controlled by coupling between weathering and hydrologic processes that force water to flow horizontally above reaction fronts where permeability changes rapidly with depth and acts as a partial barrier to fluid flow.

54 ENVIRONMENTAL SCIENCES↗

Multiphase Processing of the Water-Soluble and Insoluble Phases of Biomass Burning Organic Aerosol

Biomass burning is one of the most significant sources of organic aerosol in the atmosphere. Biomass burning organic aerosol (BBOA) has been observed to undergo liquid– liquid phase separation (LLPS) to give core–shell morphology with the hydrophobic phase encapsulating the hydrophilic phase, potentially impacting the evolution of light-absorbing components, i.e., brown carbon (BrC), through multiphase processes. Here, we demonstrate how multiphase processing differs between the watersoluble (i.e., hydrophilic) and insoluble (i.e., hydrophobic) phases of BBOA in terms of reactive uptake of ozone in a coated-wall flow tube. Effects of relative humidity (RH) and ultraviolet (UV) irradiation were investigated. Experimental timeseries were used to inform simulations using multilayer kinetic modeling. Among non-irradiated thin films, the uptake coefficient was greatest for the water-soluble phase at 75% RH (3 × 10 –5 , corresponding to a diffusion coefficient of BrC, D BrC , of 3 × 10 –9 cm 2 s –1 ) and least for the same phase at 0% RH (1 × 10 –5 , corresponding to D BrC of 1 × 10 –10 cm 2 s –1 ). The uptake coefficient for the water-insoluble phase fell between these two (about 1.5 × 10 –5 ), regardless of RH, and the corresponding D BrC increased only slightly (8 × 10 –10 cm 2 s –1 at 0% RH to 9 × 10 –10 cm 2 s –1 at 75% RH). The uptake coefficients of both phases at 0% RH decreased significantly after UV irradiation, consistent with a transition from viscous liquid to solid and supported by qualitative microscopy observations. Modeling multiphase ozone oxidation of primary BrC components in the atmosphere demonstrated, first, that LLPS may extend the lifetime of water-soluble BBOA encapsulated by water-insoluble species by a factor of 1.5 at moderate to high RH and, also, that UV irradiation may extend the lifetime of both phases by more than a factor of 2.5.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accident analysis of heavy water cooled thorium breeder reactor

Thorium has lately attracted considerable attention because it is accumulating as a by-product of large scale rare earth mining. The objective of research is to analyze transient behavior of a heavy water cooled thorium breeder that is designed by Tokai University and Tokyo Institute of Technology. That is oxide fueled, PWR type reactor with heavy water as primary coolant. An example of the optimized core has relatively small moderator to fuel volume ratio (MFR) of 0.6 and the characteristics of the core are burn-up of 67 GWd/t, breeding ratio of 1.08, burn-up reactivity loss during cycles of < 0.2% dk/k, and negative coolant reactivity coefficient. One of the nuclear reactor accidents types examined here is Unprotected Transient over Power (UTOP) due to withdrawing of the control rod that result in the positive reactivity insertion so that the reactor power will increase rapidly. Another accident type is Unprotected Loss of Flow (ULOF) that caused by failure of coolant pumps. To analyze the reactor accidents, neutron distribution calculation in the nuclear reactor is the most important factor. The best expression for the neutron distribution is the Boltzmann transport equation. However, solving this equation is very difficult so that the space-time diffusion equation is commonly used. Usually, space-time diffusion equation is solved by employing a point kinetics approach. However, this approach is less accurate for a spatially heterogeneous nuclear reactor and the nuclear reactor with quite large reactivity input. Direct method is therefore used to solve space-time diffusion equation which consider spatial factor in detail during nuclear reactor accident simulation. Set of equations that obtained from full implicit finite-difference method is solved by using iterative methods. The indication of UTOP accident is decreasing macroscopic absorption cross-section that results large external reactivity, and ULOF accident is indicated by decreasing coolant flow. The power reactor has a peak value before reactor has new balance condition. The analysis showed that temperatures of fuel and claddings during accident are still below limitations which are in secure condition.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Particle-based high-temperature thermochemical energy storage reactors

Solar and other renewable energy driven gas-solid thermochemical energy storage (TCES) technology is a promising solution for the next generation energy storage systems due to its high operating temperature, efficient energy conversion, ultra-long storage duration, and potential high energy density. Experimental and theoretical studies suggest that the respective gravimetric and volumetric TCES energy storage densities vary from 200 to 3000 kJ kg –1 and 1–3 GJ m –3 . Solar radiation or heat generated from electric furnaces powered by renewable electricity can be stored in the form of chemical energy through endothermic reactions, while the stored chemical energy can be converted to thermal energy via an exothermic reaction when needed. The design of highly effective reactors requires a deep understanding of materials, thermodynamics, chemical kinetics, and transport phenomena. At time of writing, TCES reactors are yet to be deployed at commercially relevant scales, leaving a substantial gap between development efforts and commercial feasibility. Therefore, this review aims to examine the state-of-the-art design and performance of particle-based TCES reactors with different reactive materials. Fundamentals related to TCES reactive materials, reaction conditions, thermodynamics and kinetics, and transport phenomena are reviewed in detail to provide a comprehensive understanding of the reactor design and operation. Five major types of TCES reactors have been comprehensively reviewed and compared, including fixed, moving, rotary, fluidized, and entrained bed reactors. Most reported prototype reactors in the literature operate at lab scale with thermal inputs below 40 kW, and scaled TCES reactors (e.g., at megawatt level) are yet to be demonstrated. The nominal reactor operating temperatures range from 300 to 1500 °C, depending on the selected chemistry, reactive material, and heat sources. To evaluate their designs, the reactors are assessed in aspects of performance, cost, and durability. Discrepancies in performance indicators of energy storage density, extent of reaction, and various energy efficiencies are highlighted. The scale-up of reactors and power block integration, which hold the key to the successful commercialization of TCES systems, are critically analyzed. Furthermore, advanced materials (both reactive materials and ceramic reactor housing materials), effective particle flow control, advanced modeling tools, and novel system design may bring significant improvement to the energy efficiency, storage density and cost competitiveness of particle-based TCES reactors.

25 ENERGY STORAGE↗