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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Study of Propane Combustion in a Spark-Ignited Cooperative Fuel Research (CFR) Engine

Liquefied petroleum gas (LPG), whose primary composition is propane, is a promising candidate for heavy-duty vehicle applications as a diesel fuel alternative due to its CO 2 reduction potential and high knock resistance. To realize diesel-like efficiencies, spark-ignited LPG engines are proposed to operate near knock-limit over a wide range of operating conditions, which necessitates an investigation of fuel-engine interactions that leads to end-gas autoignition with propane combustion. This work presents both experimental and numerical studies of stoichiometric propane combustion in a sparkignited (SI) cooperative fuel research (CFR) engine. Engine experiments are initially conducted at different compression ratio (CR) values, and the effects of CR on engine combustion are characterized. A three-pressure analysis (TPA) model based on the two-zone combustion concept is developed in GT-Power and validated using test results to estimate in-cylinder wall temperatures, residual gas fraction, etc. This model is further utilized to examine end-gas chemistry by enabling the SI turbulent flame combustion and unburned gas chemical kinetics modules. Finally, a three-dimensional (3D) computational fluid dynamic (CFD) model of the CFR engine is developed in CONVERGE, where the G-equation and SAGE detailed chemical kinetics models are implemented for combustion modeling. Here, a 153 species reduced chemical kinetics mechanism derived from the detailed NUIGMech1.1 mechanism based on the ignition delay and laminar flame speed (LFS) studies is used to generate an LFS lookup table and to describe end-gas autoignition chemistry. Multi-cycle Reynolds-averaged Navier-Stokes (RANS) simulations are then performed for the tested CRs, and the numerical model is shown to be capable of predicting the propane combustion characteristics, particularly the end-gas autoignition behavior.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Influence of Real Gas Effects on Chemical Kinetics in Oxycombustion in Supercritical Carbon Dioxide

Oxycombustion in supercritical carbon dioxide is an integral part of the Allam Cycle, a technology that enables carbon-neutral use of fossil-fuels and carbon-negative use of biofuels. We simulate oxycombustion in a realistic combustor geometry for two sets of fuel conditions: pure methane, and a 40 percent methane/60 percent carbon dioxide blend, both at 343.15 K. The fuel jet mixes with a preheated swirler of 20 percent oxygen and 80 percent carbon dioxide at 1005.35 K, with a 100 percent carbon dioxide coflow at 783.15 K. The entire system operates at a pressure of 300 bar, putting the entire system above the critical temperature and pressure of carbon dioxide. Simulations are performed using PeleC, a compressible block-structured adaptive-mesh refinement (AMR) reacting flow code. Direct comparison of results using thermodynamically self-consistent implementations of the ideal gas equation of state and the Soave-Redlich-Kwong (SRK) equation of state allow quantification of the real gas impacts on combustion kinetics, flow temperatures, and pollutant formation.

carbon dioxide↗
DOE OSTI2022

Destabilization of binary mixing layer in supercritical conditions

Compressible mixing layer instabilities are of importance to a wide range of environmental and industrial applications. Past studies have focused on either ideal-gas or real-fluid thermodynamic regimes of single-species mixing layers. However, mixing layers of binary mixtures at supercritical conditions, commonly encountered in fuel injection systems, introduce additional complexities due to the added compositional degree-of-freedom. Moreover, the effect of strong variations in thermodynamic response functions across the Widom line on the binary mixing layer stability remains poorly understood. Thus, the objective of this study is to examine the coupling between the hydrodynamic instability and the real-fluid thermodynamics across the Widom line and its effects on the overall binary mixing layer dynamics. To this end, we develop a linear stability analysis of the full binary-species compressible transport equations coupled with the PC-SAFT equation of state. Analysis shows the existence of a novel instability mechanism that arises from juxtapositioning of the Widom-line transition and the hydrodynamic inflection point. This novel thermodynamically induced instability mechanism has the net effect of destabilizing the binary mixing layer at lowering supercritical conditions towards the critical pressure point. This is in contrast to previous stability analyses of supercritical single-species mixing layers, where increasing pressure destabilizes the flow due to its effect on reducing the density stratification. The discovered thermodynamically induced instability mechanism of binary mixing flows highlights the need for an extension of classical instability criteria to incorporate the effect of strong variations in the thermodynamic response functions across the Widom line on mixing layer instability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Ultraviolet emission in the dark cloud toward HD 62542

We have obtained low resolution IUE short wavelength spectra at several positions within a ridge of molecular gas within the Gunn Nebula. Optical absorption line measurements toward HD 62542 indicate moderately high densities within the ridge. The physical appearance of the ridge, along with H-alpha and IRAS images of the nebula, suggest that winds and radiation from Gamma Vel and Zeta Pup are heating and compressing the ridge. The IUE spectra revealed faint C II and C III emission at one position, while C IV was weakly detected at another. The former are interpreted as arising in photoionized gas while the latter probably arises in a shocked wind striking the ridge. No detections were made at other positions in the ridge.

O'Donnell, James E.↗
NASA NTRS1991

Magnetized supernova remnants with cosmic rays

The effects of interstellar magnetic fields and cosmic rays on the dynamics of an SNR expanding into a warm H I gas are examined. As long as the shock wave driven by the SN explosion propagates faster than 110 km/s, the vicinity of the shock front is fully ionized, and cosmic rays are well coupled to the thermal fluid. They are first accelerated at the adiabatic front, and further compressed in the postshock cooling zone. When the shock velocity drops below 110 km/s, ion-neutral collisions in the vicinity of the shock dissipate the waves which couple cosmic rays to the thermal gas, and impede cosmic-ray acceleration. It is found that magnetic and cosmic-ray pressures together dominate over thermal pressure away from the magnetic poles. As a result, most of the shell becomes considerably thicker, and the shock wave propagates somewhat faster than in the nonmagnetic case. At late times, the transverse mass motions which take place from the poles to the equator create H I holes at the polar caps. This theory leads to a simple interpretation of the 'barrel-shaped' distribution of radio emission observed in some SNRs.

Ferriere, Katia M.↗
DOE OSTI2025

Real-fluid behavior in rapid compression machines: Does it matter?

Rapid compression machines (RCMs) have been extensively used to quantify fuel autoignition chemistry and validate chemical kinetic models at high-pressure conditions. Historically, the analyses of experimental and modeling RCM autoignition data have been conducted based on the adiabatic core hypothesis with ideal gas assumption, where real-fluid behavior has been completely overlooked, though this might be significant at common RCM test conditions. Here, this work presents a first-of-its-kind study that addresses two significant but overlooked questions for autoignition studies within RCMs in the fundamental combustion community: (i) experiment-wise, can unaccounted-for real-fluid behavior in RCMs affect the interpretation and analysis of RCM experimental data? and (ii) simulation-wise, can unaccounted-for real-fluid behavior in RCMs affect RCM autoignition modeling and the validation of chemical kinetic models? To this end, theories for real-fluid isentropic change are newly proposed and derived based on high-order Virial EoS, and are further incorporated into an effective-volume real-fluid autoignition modeling framework newly developed for RCMs. With detailed analyses, the strong real-fluid behavior in representative RCM tests is confirmed, which can greatly influence the interpretation of RCM autoignition experiments, particularly the determination of end-of-compression temperature and evolution of the adiabatic core in the reaction chamber. Furthermore, real-fluid RCM modeling results reveal that considerable error can be introduced into simulating RCM autoignition experiments when following the community-wide accepted effective-volume approach by assuming ideal-gas behavior, which can be as high as 64% in the simulated ignition delay time at compressed pressure of 125 bar and lead to contradictory validation results of chemical kinetic models. Therefore, we recommend the community to adopt frameworks with real-fluid behavior fully accounted for (e.g., the one developed in this study) to analyze and simulate past and future RCM experiments, so as to avoid misinterpretation of RCM autoignition experiments and eliminate the potential errors that can be introduced into the simulation results with the existing RCM modeling frameworks.

High-order Virial equation of state↗
NASA NTRS1979

Dedicated nuclear facilities for electrolytic hydrogen production

An advanced technology, fully dedicated nuclear-electrolytic hydrogen production facility is presented. This plant will produce hydrogen and oxygen only and no electrical power will be generated for off-plant use. The conceptual design was based on hydrogen production to fill a pipeline at 1000 psi and a 3000 MW nuclear base, and the base-line facility nuclear-to-shaftpower and shaftpower-to-electricity subsystems, the water treatment subsystem, electricity-to-hydrogen subsystem, hydrogen compression, efficiency, and hydrogen production cost are discussed. The final conceptual design integrates a 3000 MWth high-temperature gas-cooled reactor operating at 980 C helium reactor-out temperature, direct dc electricity generation via acyclic generators, and high-current density, high-pressure electrolyzers based on the solid polymer electrolyte approach. All subsystems are close-coupled and optimally interfaced and pipeline hydrogen is produced at 1000 psi. Hydrogen costs were about half of the conventional nuclear electrolysis process.

Foh, S. E.↗
NASA NTRS1983

The interaction of the solar wind with Venus

While the Venus ionosphere, rather than magnetosphere as on the earth, deflects the solar wind flow, this deflection is accomplished with the deformation of a bow shock which heats and compresses the solar wind flow, and is closer to the planet and weaker than would be expected for an ideal gas dynamic interaction with a perfectly reflecting obstacle. The ionized magnetosheath flow can interact directly with the neutral atmosphere through charge exchange, which removes momentum from the flow, and photoionization; both processes adding mass to the solar wind because the high altitude neutral atmosphere is mostly composed of oxygen rather than hydrogen. The magnetotail of Venus also differs from that of the earth in that the mass loading of the magnetosheath flow slows the transport of magnetic flux tubes past the planet, while the ends of the tubes continue to travel rapidly in the solar wind, so that the planet accretes interplanetary magnetic flux.

Russell, C. T.↗
NASA NTRS1988

Theoretical studies of solar lasers and converters

The previously constructed one dimensional model for the simulated operation of an iodine laser assumed that the perfluoroalkyl iodide gas n-C3F7I was incompressible. The present study removes this simplifying assumption and considers n-C3F7I as a compressible fluid.

Heinbockel, John H.↗
NASA NTRS1999

A One Dimensional, Time Dependent Inlet/Engine Numerical Simulation for Aircraft Propulsion Systems

The NASA Lewis Research Center (LeRC) and the Arnold Engineering Development Center (AEDC) have developed a closely coupled computer simulation system that provides a one dimensional, high frequency inlet/engine numerical simulation for aircraft propulsion systems. The simulation system, operating under the LeRC-developed Application Portable Parallel Library (APPL), closely coupled a supersonic inlet with a gas turbine engine. The supersonic inlet was modeled using the Large Perturbation Inlet (LAPIN) computer code, and the gas turbine engine was modeled using the Aerodynamic Turbine Engine Code (ATEC). Both LAPIN and ATEC provide a one dimensional, compressible, time dependent flow solution by solving the one dimensional Euler equations for the conservation of mass, momentum, and energy. Source terms are used to model features such as bleed flows, turbomachinery component characteristics, and inlet subsonic spillage while unstarted. High frequency events, such as compressor surge and inlet unstart, can be simulated with a high degree of fidelity. The simulation system was exercised using a supersonic inlet with sixty percent of the supersonic area contraction occurring internally, and a GE J85-13 turbojet engine.

Doug Garrard↗
NASA NTRS1995

Useful Scaling Parameters for the Pulse Tube

A set of eight non-dimensional scaling parameters for use in evaluating the performance of Pulse Tube Refrigerators is presented. The parameters result after scaling the mass, momentum and energy conservation equations for an axisymmetric, two-dimensional system. The physical interpretation of the parameters are described, and their usefulness is outlined for the enthalpy flow tube (open tube of the pulse tube). The scaling parameters allow the experimentalist to characterize three types of transport: enthalpy flow, mass streaming and heat transfer between the gas and the tube. Also reported are the results from a flow visualization experiment in which steady mass streaming in compressible oscillating flow is observed.

Lee, J. M.↗
NASA NTRS2002

Photoevaporation of Clumps in Photodissociation Regions

We present the results of an investigation of the effects of Far Ultraviolet (FUV) radiation (6.0eV < hv < 13.6eV) from hot early type OB stars on clumps in star-forming molecular clouds. Clumps in FUV-illuminated regions (or photodissociation regions or PDRs) undergo external heating and photodissociation as they are exposed to the FUV field, resulting in a loss of cold, molecular lump mass as it is converted to warm atomic gas. The heating, if rapid, creates strong photoevaporative mass flows off the clump surfaces, and drives shocks into the clumps, compressing them to high densities. The clumps lose mass on relatively short timescales. The evolution of an individual clump is found to be sensitive to three dimensionless parameters: Nc0, the ratio of the initial column density of the clump to the column N(0) approx. 10(exp 21) cm(exp -2) of a warm FUV-heated surface region; upsilon, the ratio of the sound speed in the heated surface to that in the cold clump material: and t(FUV)t(c), the ratio of the "turn-on time" t(FUV) of the heating flux on a clump to its initial sound crossing-time t(c). The evolution also depends on whether a confining interclump medium exists, or whether the interclump region has negligible pressure, as is the case for turbulence-generated clumps. In this paper, we use spherical 1-D numerical hydrodynamic models as well as approximate analytical models to study the dependence of clump photoevaporation on the physical parameters of the clump, and to derive the dynamical evolution, mass loss rates and photoevaporative timescales of a clump for a variety of astrophysical situations. Turbulent clumps evolve so that their column densities are equal to a critical value determined by the local FUV field, and typically have short photo evaporation timescales, approx. 10(exp 4-5) years for a 1 M(solar mass) clump in a typical star-forming region (Nc0 = 10, upsilon = 10). Clumps with insufficient magnetic pressure support, and in strong FUV fields may be driven to collapse by the compressional effect of converging shock waves. We also estimate the rocket effect on photoevaporating clumps and find that it is significant only for the smallest clumps, with sizes much less than the extent of the PDR itself. Clumps that are confined by all interclump medium may either get completely photoevaporated, or may preserve a shielded core with a warm, dissociated, protective shell that, absorbs the incident FUV flux. We compare our results with observations of some well studied PDRs: the Orion Bar, M17SW NGC 2023 and the Rosette Nebula. The data are consistent with both interpretations of clump origin. turbulence and pressure confinement, with a slight indication for favouring the turbulent model for clumps over pressure-confined

Gorti, Uma↗
NASA NTRS2010

Optical Mass Gauging System for Measuring Liquid Levels in a Reduced Gravity Environment

A compact and rugged fiber-coupled liquid volume sensor designed for flight on a sounding rocket platform is presented. The sensor consists of a Mach-Zehnder interferometer capable of measuring the amount of liquid contained in a tank under any gravitational conditions, including a microgravity environment, by detecting small changes in the index of refraction of the gas contained within a sensing region. By monitoring changes in the interference fringe pattern as the system undergoes a small compression provided by a piston, the ullage volume of a tank can be directly measured allowing for a determination of the liquid volume. To demonstrate the technique, data are acquired using two tanks containing different volumes of liquid, which are representative of the levels of liquid in a tank at different time periods during a mission. The two tanks are independently exposed to the measurement apparatus, allowing for a determination of the liquid level in each. In a controlled, laboratory test of the unit, the system demonstrated a capability of measuring a liquid level in an individual tank of 10.53 mL with a 2% error. The overall random uncertainty for the flight system is higher than that one test, at +/- 1.5 mL.

Sullenberger, Ryan M.↗
DOE OSTI2022

Evaluation of a novel mid-infrared pyrometer for dynamic material experiments

Dynamic experiments create high-pressure shock waves on the microsecond time scale (or smaller), compressing materials to high pressures and temperatures and enabling the study of material properties at these conditions. Other dynamic studies use quasi-isentropic compression to produce similar high pressures at much lower temperatures. High pressure experiments performed on dynamic platforms such as gas-guns, laser, and pinch machines generate up to several hundred GPa in the sample pressure conditions12. Related static studies include diamond anvil cells, which obtain high pressures and have extremely high precision, but are most often conducted at room temperature or modest temperature increases (often <2000K). By combining these methods, material properties across a wide range of thermodynamic conditions can be probed, and a high quality equation of state (EOS) constructed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone

Using the recently developed multistate mapping approach to surface hopping (multistate MASH) method combined with SA(3)-CASSCF(12,12)/aug-cc-pVDZ electronic structure calculations, the gas-phase isotropic ultrafast electron diffraction (UED) of cyclobutanone is predicted and analyzed. After excitation into the n-3s Rydberg state (S2), cyclobutanone can relax through two S2/S1 conical intersections, one characterized by compression of the CO bond and the other by dissociation of the α–CC bond. Subsequent transfer into the ground state (S0) is then achieved via two additional S1/S0 conical intersections that lead to three reaction pathways: α ring-opening, ethene/ketene production, and CO liberation. The isotropic gas-phase UED signal is predicted from the multistate MASH simulations, allowing for a direct comparison to the experimental data. This work, which is a contribution to the cyclobutanone prediction challenge, facilitates the identification of the main photoproducts in the UED signal and thereby emphasizes the importance of dynamics simulations for the interpretation of ultrafast experiments.

Chemistry↗
DOE OSTI2020

Wireless Instrumented RB Experiment Preliminary Design and Analysis

The ability to deploy new nuclear fuels for current or future reactor concepts requires carefully designed experiments to generate data to support fuel qualification. Ideally these experiments would include state of-the-art sensing to maximize the amount of in situ data that can be collected during operation. Furthermore, advanced reactor systems can take advantage of integrated in-core sensing technologies to maximize fuel utilization, reduce unnecessary conservativism in design margins, and improve operator’s understanding of limiting peaking factors. Before any novel sensing technologies can be readily adopted for nuclear applications, they must first demonstrate acceptable performance in test reactors. This report summarizes the preliminary design and analysis of the most highly instrumented irradiation experiment ever performed in the removable beryllium (RB) positions of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). The Wireless Instrumented RB Experiment 2021 (WIRE-21) will test a wide range of sensors including wireless sensors being developed by Westinghouse Electric Company (WEC) that could provide in situ measurements of peak fuel temperatures and fuel rod pressurization due to fission gas release. The ability to wirelessly transmit a signal through the fuel rod’s cladding is critical to improving fuel monitoring capabilities without requiring signal penetrations through the cladding pressure boundary, which would significantly impact fuel fabrication, handling, and operation. Other sensors that will be tested in WIRE-21 include an array of thermocouples, self-powered neutron detectors (SPNDs), and spatially distributed fiber-optic temperature sensors. More generally, WIRE-21 will establish a flexible irradiation vehicle design to allow accelerated, economical testing of advanced sensor technologies while leveraging the extremely high neutron flux that is available in HFIR. This report summarizes the mechanical design for WIRE-21, the experimental test matrix, initial neutronic and thermal design analyses, and the active monitoring and control system enhancements necessary to support testing of advanced sensor technologies. The containment for WIRE-21 is similar to previous RB irradiation vehicles but includes a few modifications, most notably the use of integrated compression seals to pass a larger number of sensor leads through the experiment’s pressure boundary. In addition to the sensor leads, inert gas lines are passed into the experiment to enable active temperature control and the ability to pneumatically actuate a bellows-driven pressure sensor. WIRE-21 is targeting temperatures (300–350°C) and neutron fluence levels (~10 22 n/cm 2 ) relevant to light water reactors (LWRs), but the flexible design of the experiment vehicle allows much higher operating temperatures (>1,100°C). Neutronic calculations determine the neutron flux conditions as well as the nuclear heating within the experiments. These results are used as inputs to detailed thermal finite element calculations, which are required to evaluate the complex, three-dimensional heat transfer that occurs within WEC’s wireless sensor enclosures. Initial results show that the temperatures of the sensors’ enclosures and the metal bellows can be operated near the temperature range of LWR coolants and cladding while simultaneously increasing the temperature of a surrogate fuel material to values in the range of 800–1200°C to simulate centerline fuel temperatures during LWR operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Numerical Solution of the Steady-State Network Flow Equations for a Non-Ideal Gas

Herein we formulate a steady-state network flow problem for non-ideal gas that relates injection rates and nodal pressures in the network to flows in pipes. For this problem, we present and prove a theorem on uniqueness of generalized solution for a broad class of non-ideal pressure-density relations that satisfy a monotonicity property. Further, we develop a Newton-Raphson algorithm for numerical solution of the steady-state problem, which is made possible by a systematic non-dimensionalization of the equations. The developed algorithm has been extensively tested on benchmark instances and shown to converge robustly to a generalized solution. Previous results [1]-[4], indicate that the steady-state network flow equations for an ideal gas are difficult to solve by the Newton-Raphson method because of its extreme sensitivity to the initial guess. In contrast, we find that non-dimensionalization of the steady-state problem is key to robust convergence of the Newton-Raphson method. We identify criteria based on the uniqueness of solutions under which the existence of a non-physical generalized solution found by a non-linear solver implies non-existence of a physical solution, i.e., infeasibility of the problem. Finally, we compare pressure and flow solutions based on ideal and non-ideal equations of state to demonstrate the need to apply the latter in practice. The solver developed in this article is open-source and is made available for both the academic and research communities as well as the industry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A multi-wavelength streaked optical pyrometer for dynamic shock compression measurements above 2500 K

This work presents a concept and implementation of a calibrated streaked spectral pyrometer (SSP) temperature diagnostic used in dynamically driven shock experiments on a two-stage gas gun. This system relies upon measuring the total system response using a tunable monochromator, a NIST-traceable calibrated power meter, and a SSP. The diagnostic performance is validated against previously measured temperatures of shock driven z-cut quartz at 99 GPa and 93 GPa. The results are found to agree with the literature to within 5% and are discussed in this manuscript. The experimental setup utilizes measurements from multiple SSP systems per sample, providing several independent measurements and substantially increasing confidence in the extrapolated shock driven sample temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗