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NASA NTRS2009

Measurement and Characterization of Space Shuttle Solid Rocket Motor Plume Acoustics

NASA's current models to predict lift-off acoustics for launch vehicles are currently being updated using several numerical and empirical inputs. One empirical input comes from free-field acoustic data measured at three Space Shuttle Reusable Solid Rocket Motor (RSRM) static firings. The measurements were collected by a joint collaboration between NASA - Marshall Space Flight Center, Wyle Labs, and ATK Launch Systems. For the first time NASA measured large-thrust solid rocket motor plume acoustics for evaluation of both noise sources and acoustic radiation properties. Over sixty acoustic free-field measurements were taken over the three static firings to support evaluation of acoustic radiation near the rocket plume, far-field acoustic radiation patterns, plume acoustic power efficiencies, and apparent noise source locations within the plume. At approximately 67 m off nozzle centerline and 70 m downstream of the nozzle exit plan, the measured overall sound pressure level of the RSRM was 155 dB. Peak overall levels in the far field were over 140 dB at 300 m and 50-deg off of the RSRM thrust centerline. The successful collaboration has yielded valuable data that are being implemented into NASA's lift-off acoustic models, which will then be used to update predictions for Ares I and Ares V liftoff acoustic environments.

Kenny, Robert Jeremy↗

NASA NTRSDate not supplied

Seeding Method for Velocimetry and Visualization of Supersonic Retropropulsion Nozzle Plumes

In the current work, the “Venturi seeder” method for nozzle plumes is improved and studied to determine suitability for particle image velocimetry. This seeding method involves independently pressurizing the primary flow path and a separate seed liquid reservoir, connecting them at the throat of a Venturi contraction upstream of the nozzle. The pressure differential at the throat causes the liquid to enter the nozzle channel where it is atomized into particles by strong shearing forces. This new seeding system was characterized by conducting a series of diagnostics using different exit nozzle pressure ratios and seed reservoir pressures. Shadowgraph imaging confirmed the nozzle plumes to be underexpanded jets. A particle sizing device determined that generated DEHS oil particles had median aerodynamic diameters of 0.67, 0.69, and 0.73 μm for seed liquid reservoir pressure supplies of 0.67, 0.60, and 0.93 MPa and primary flow path pressures of 0.67, 0.76, and 0.93 MPa measured downstream of the Venturi throat, respectively. These diameters were within the threshold for acceptable response time in typical gas flows (≤ 1 μm). PIV experiments were conducted on the nozzle plume for all presented cases; mean axial and transverse velocities appeared as expected for the underexpanded jet structure, including the Mach disk and re-acceleration regions. Additional sizing analysis based on the particle response times across the normal shock again showed particle diameters to be well less than 1 μm for all cases. The results suggest that this method is an inexpensive and relatively simple solution to the problem of seeding nozzle plumes. The method will be used in testing of supersonic retropropulsion models in the Unitary Plan Wind Tunnel at The NASA Langley Research Center in 2022.

particle image velocimetry↗

NASA NTRS1980

Solar corona electron density distribution

The paper discusses the three and one-half months of single-frequency time delay data which were acquired from the Helios 2 spacecraft around the time of its solar occultation. The excess time delay due to integrated effect of free electrons along the signal's ray path could be separated and modeled following the determination of the spacecraft trajectory. An average solar corona and equatorial electron density profile during solar minimum were deduced from the time delay measurements acquired within 5-60 solar radii of the sun. As a point of reference at 10 solar radii from the sun, an average electron density was 4500 el/cu cm. However, an asymmetry was found in the electron density as the ray path moved from the west to east solar limb. This may be related to the fact that during entry into occultation the heliographic latitude of the ray path was about 6 deg, while during exit it was 7 deg. The Helios density model is compared with similar models deduced from different experimental techniques.

Esposito, P. B.↗

NASA NTRS2002

RWPV bioreactor mass transport: earth-based and in microgravity

Mass transport and mixing of perfused scalar quantities in the NASA Rotating Wall Perfused Vessel bioreactor are studied using numerical models of the flow field and scalar concentration field. Operating conditions typical of both microgravity and ground-based cell cultures are studied to determine the expected vessel performance for both flight and ground-based control experiments. Results are presented for the transport of oxygen with cell densities and consumption rates typical of colon cancer cells cultured in the RWPV. The transport and mixing characteristics are first investigated with a step change in the perfusion inlet concentration by computing the time histories of the time to exceed 10% inlet concentration. The effects of a uniform cell utilization rate are then investigated with time histories of the outlet concentration, volume average concentration, and volume fraction starved. It is found that the operating conditions used in microgravity produce results that are quite different then those for ground-based conditions. Mixing times for microgravity conditions are significantly shorter than those for ground-based operation. Increasing the differential rotation rates (microgravity) increases the mixing and transport, while increasing the mean rotation rate (ground-based) suppresses both. Increasing perfusion rates enhances mass transport for both microgravity and ground-based cases, however, for the present range of operating conditions, above 5-10 cc/min there are diminishing returns as much of the inlet fluid is transported directly to the perfusion exit. The results show that exit concentration is not a good indicator of the concentration distributions in the vessel. In microgravity conditions, the NASA RWPV bioreactor with the viscous pump has been shown to provide an environment that is well mixed. Even when operated near the theoretical minimum perfusion rates, only a small fraction of the volume provides less than the required oxygen levels. 2002 Wiley Periodicals, Inc.

Models, Biological↗

NASA NTRSDate not supplied

Flow Visualization for Plume-Surface Interaction at Martian-Relevant Lander Environments

This paper describes a jet impingement experiment performed in a large-scale vacuum chamber at Martian-relevant ambient pressure conditions, with the motivation of studying plume-surface interaction (PSI) caused by the exhaust plume of a lander interacting with the planetary surface. Flow visualization of an inert supersonic jet was performed using planar laser-induced fluorescence (PLIF), which is a molecular-based, two-dimensional measurement technique. Representative instantaneous and time-averaged visualizations of the impinging jet at two different nozzle flow conditions corresponding to the underexpanded and overexpanded jet regimes are presented for up to six different dimensionless altitudes h/De. The time-averaged measured spatial distribution of impingement pressures at these conditions is also reported. The PLIF visualizations appear to be critical towards explaining unexpected behavior in the impingement pressure, such as a higher impingement pressure for the underexpanded condition at h/De = 10, compared to a lower altitude of h/De = 8. This behavior can be attributed to differences in the stagnation shock structure observed in the PLIF images. The PLIF images also reveal significant flow separation at the nozzle exit for the overexpanded jet conditions. Further analysis of the test data as well as combined flow visualization and surface diagnostics for future ground tests will help inform engineering designs for landings on the Martian surface while mitigating PSI risks.

PLIF↗

NASA NTRSDate not supplied

Flow Visualization for Plume-Surface Interaction at Martian-Relevant Lander Environments

PLIF↗

DOE OSTI2022

Comparing and contrasting In-Vial and full-scale systems for sparging volatile analytes

Here, in-vial sparging was demonstrated as an effective, practical alternative to a full-scale sparging system for supporting the analysis of volatile constituents. Using elemental mercury (Hg 0 ) and toluene as representative purgeable analytes, the mass removal for various sparge configurations was measured and a reduced order model was developed and validated. In the primary experiments, Hg 0 in the sparge gas was trapped on activated carbon or gold, thermally desorbed, and quantified using atomic absorption or atomic fluorescence spectroscopy. Toluene experiments using the same in-vial sparge apparatus and sparge parameters were performed to demonstrate the applicability of the reduced order model to a broad range of compounds. Toluene removal was tracked by measuring the remaining toluene in sparged aliquots using Ultraviolet-visible (UV–Vis) spectroscopy. For the sparging, flow rates varied from 25 to 75 mL/min for periods from 0 to 30 min. Sparge performance, mass removal as a function of time, and sparge gas volume were measured for both in-vial and full-scale systems. A model based on dimensionless Henry's Law coefficient, normalized sparge gas volume, and fractional extent of equilibrium matched the experimental data for both compounds and provides a practical tool for future applications. For the conditions tested in this study, the calibrated model indicated that the sparge gas in the in-vial system reached approximately 33% of its equilibrium value before exiting the water surface, while a full-scale system reached approximately 100%. The tests validated the quality, reproducibility, and predictability of sparging performance for both full scale and in-vial sparge systems. Related factors such as waste generation, worker risk, and labor were also assessed. Full scale sparge systems provide the advantage of lower detection levels due to larger sample volume, while the in-vial sparge systems provide advantages for most other factors; including automatability, reducing secondary wastes, lessening the need to clean and check the sparge apparatus, and lowering labor and costs. The data and associated reduced order model support continued development and deployment of in-vial sparge platforms as a practical option for analysis of purgeable analytes such as volatile organic compounds and volatile metals/organometallics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Internal flow measurements of the SSME fuel preburner injector element using real time neutron radiography

Due to observations of unsteady flow in the Space Shuttle Main Engine fuel preburner injector element, several flow studies have been performed. Real time neutron radiography tests were recently completed. This technique provided real time images of MiL-c-7024 and Freon-22 flow through an aluminum liquid oxygen post model at three back pressures (0, 150, and 545 psig) and pressure drops up to 1000 psid. Separated flow appeared only while operating at back pressures of 0 and 150 psig. The behavior of separated flow was similar to that observed for water in a 3x acrylic model of the LOX post. On the average, separated flow appeared to reattach near the exit of the post when the ratio of pressure drop to supply pressure was about 0.75.

Lindsay, John T.↗

NASA NTRS1999

Flow of GE90 Turbofan Engine Simulated

The objective of this task was to create and validate a three-dimensional model of the GE90 turbofan engine (General Electric) using the APNASA (average passage) flow code. This was a joint effort between GE Aircraft Engines and the NASA Lewis Research Center. The goal was to perform an aerodynamic analysis of the engine primary flow path, in under 24 hours of CPU time, on a parallel distributed workstation system. Enhancements were made to the APNASA Navier-Stokes code to make it faster and more robust and to allow for the analysis of more arbitrary geometry. The resulting simulation exploited the use of parallel computations by using two levels of parallelism, with extremely high efficiency.The primary flow path of the GE90 turbofan consists of a nacelle and inlet, 49 blade rows of turbomachinery, and an exhaust nozzle. Secondary flows entering and exiting the primary flow path-such as bleed, purge, and cooling flows-were modeled macroscopically as source terms to accurately simulate the engine. The information on these source terms came from detailed descriptions of the cooling flow and from thermodynamic cycle system simulations. These provided boundary condition data to the three-dimensional analysis. A simplified combustor was used to feed boundary conditions to the turbomachinery. Flow simulations of the fan, high-pressure compressor, and high- and low-pressure turbines were completed with the APNASA code.

Veres, Joseph P.↗

NASA NTRS1992

Runway exit designs for capacity improvement demonstrations. Phase 2: Computer model development

The development is described of a computer simulation/optimization model to: (1) estimate the optimal locations of existing and proposed runway turnoffs; and (2) estimate the geometric design requirements associated with newly developed high speed turnoffs. The model described, named REDIM 2.0, represents a stand alone application to be used by airport planners, designers, and researchers alike to estimate optimal turnoff locations. The main procedures are described in detail which are implemented in the software package and possible applications are illustrated when using 6 major runway scenarios. The main output of the computer program is the estimation of the weighted average runway occupancy time for a user defined aircraft population. Also, the location and geometric characteristics of each turnoff are provided to the user.

Trani, A. A.↗

DOE OSTI2021

Investigation of high-pressure turbulent jets using direct numerical simulation

Direct numerical simulations of free round jets at a Reynolds number (Re D ) of 5000, based on jet diameter (D) and jet-exit bulk velocity (U e ), are performed to study jet turbulence characteristics at supercritical pressures. The jet consists of nitrogen (N 2 ) that is injected into N 2 at the same temperature. To understand turbulent mixing, a passive scalar is transported with the flow at unity Schmidt number. Two sets of inflow conditions that model jets issuing from either a smooth contraction nozzle (laminar inflow) or a long pipe nozzle (turbulent inflow) are considered. By changing one parameter at a time, the simulations examine the jet-flow sensitivity to the thermodynamic condition (characterized in terms of the compressibility factor ($Z$) and the normalized isothermal compressibility), inflow condition and ambient pressure (p ∞ ) spanning perfect- to real-gas conditions. The inflow affects flow statistics in the near field (containing the potential core closure and the transition region) as well as further downstream (containing fully developed flow with self-similar statistics) at both atmospheric and supercritical p ∞ . The sensitivity to inflow is larger in the transition region, where the laminar-inflow jets exhibit dominant coherent structures that produce higher mean strain rates and higher turbulent kinetic energy than in turbulent-inflow jets. Decreasing $Z$ at a fixed supercritical p ∞ enhances pressure and density fluctuations (non-dimensionalized by local mean pressure and density, respectively), but the effect on velocity fluctuations depends also on the local flow dynamics. When $Z$ is reduced, large mean strain rates in the transition region of laminar-inflow jets significantly enhance velocity fluctuations (non-dimensionalized by local mean velocity) and scalar mixing, whereas the effects are minimal in jets from turbulent inflow.

42 ENGINEERING↗

NASA NTRS1977

Optical design of a stigmatic spectroheliometer for photometric studies of dynamic phenomena at extreme-ultraviolet wavelengths

The design of a stigmatic spectroheliometer for photometric studies of dynamic phenomena in the solar atmosphere at extreme ultraviolet (EUV) wavelengths is described. The normal-incidence spectrometer requires only one reflective surface, and is equipped with a series of exit slits and associated one-dimensional detector arrays that are mounted at the secondary (vertical) foci of the concave diffraction grating. It is shown that such a spectrometer mounted at the focus of an off-axis paraboloid telescope mirror of the size employed in the EUV spectroheliometer flown on Skylab could record monochromatic images of a 2 x 2 (arcmin) sq field-of-view with a spatial resolution element of 1 x 1 (arcsec) sq in a time of 4 s, 24 s, or 4 min, depending on whether the region studied is flaring, active, or quiet. The resulting spectroheliograms would have an average photometric precision of 10% and a spectral purity of 0.1 A.

Huber, M. C. E.↗

NASA NTRS1990

A technique for optimal temperature estimation for modeling sunrise/sunset thermal snap disturbance torque

A predictive temperature estimation technique which can be used to drive a model of the Sunrise/Sunset thermal 'snap' disturbance torque experienced by low Earth orbiting spacecraft is described. The twice per orbit impulsive disturbance torque is attributed to vehicle passage in and out of the Earth's shadow cone (umbra), during which large flexible appendages undergo rapidly changing thermal conditions. Flexible members, in particular solar arrays, experience rapid cooling during umbra entrance (Sunset) and rapid heating during exit (Sunrise). The thermal 'snap' phenomena has been observed during normal on-orbit operations of both the LANDSAT-4 satellite and the Communications Technology Satellite (CTS). Thermal 'snap' has also been predicted to be a dominant source of error for the TOPEX satellite. The fundamental equations used to model the Sunrise/Sunset thermal 'snap' disturbance torque for a typical solar array like structure will be described. For this derivation the array is assumed to be a thin, cantilevered beam. The time varying thermal gradient is shown to be the driving force behind predicting the thermal 'snap' disturbance torque and therefore motivates the need for accurate estimates of temperature. The development of a technique to optimally estimate appendage surface temperature is highlighted. The objective analysis method used is structured on the Gauss-Markov Theorem and provides an optimal temperature estimate at a prescribed location given data from a distributed thermal sensor network. The optimally estimated surface temperatures could then be used to compute the thermal gradient across the body. The estimation technique is demonstrated using a typical satellite solar array.

Zimbelman, D. F.↗

DOE OSTI2025

CRN Modeling of Ammonia RQL Combustion using a Partially-Stirred Reactor Approach

Ammonia is a promising alternative to hydrogen with high energy density and favorable storage and transport characteristics. However low flammability and a propensity for high nitrogen oxide (NOx) emissions make direct utilization challenging. Recently, two-stage rich-quench-lean (RQL) combustion strategies have shown promise in achieving low NOx emissions with ammonia. In this approach, the rich stage serves to oxidize a portion of the fuel, while thermally decomposing as much of the remaining ammonia as possible, generating hydrogen. In the second (lean) stage, air is rapidly introduced, burning out the hydrogen and residual ammonia. Two-stage RQL combustion of ammonia has been investigated in the open literature both experimentally and numerically. In general, idealized chemical reactor network (CRN) models predict NOx concentrations below that of 2D/3D computational fluid dynamics models and experiments. The primary drivers of these discrepancies may be largely attributed to finite rate mixing non-adiabatic operation. The typical CRN model is comprised of a perfectly-stirred-reactor (PSR), followed by a plug-flow-reactor (PFR), meant to represent the flame, and post-flame zones, respectively. In the two-stage RQL approach two PSR-PFR networks are arranged sequentially, corresponding to the rich and lean stages, with secondary air injection in between. In the authors’ past work, this arrangement has demonstrated the significant sensitivity of exit NOx to the rich stage equivalence ratio, while the amount of secondary air injection was shown to be less critical. In this paper, the CRN model is extended to (1) include the impacts of heat loss and (2) utilize a partially-stirred-reactor (PaSR) approach to study the impacts of mixing on emissions performance. Varying amounts of heat loss are applied to the rich relaxation zone to understand emissions performance and changes to optimization of equivalence ratio and residence time. Premixed and non-premixed configurations are considered in the rich stage PaSR, with varying degrees of mixing intensity to study the interaction between mixing, transport, and kinetic timescales. Critically, the impact of mixing between hot products and secondary air injection is studied to understand practical injector needs. Results show unburnt ammonia leaving the rich stage as a primary contributor to NOx emissions – driven both by increased heat loss and reduced mixing rates. Furthermore, heat losses have shown to create conditions which are conducive to increased N2O formation in the lean stage. The results of this study will be considered in the context of developing optimized two-stage RQL combustors for ammonia..

advanced gas turbines↗

NASA NTRS1987

Navier-Stokes analyses of the redistribution of inlet temperature distortions in a turbine

The flow exiting the combustor and entering the turbine of a gas turbine engine is known to contain both spatial and temporal variations in total temperature. Although historically it has been presumed that the turbine rotor responded to the average temperature, recent experimental evidence has demonstrated that the rotor actually separated the hotter and cooler streams of fluid so that the hotter fluid migrated toward the pressure surface and the cooler fluid migrated toward the suction surface. In the present study a time-accurate, two-dimensional, thin-layer, Navier-Stokes analysis of a turbine stage was used to analyze this phenomenon. The rough qualitative agreement between the measured and the computed results indicated that the analysis had successfully captured many of the important features of the flow.

Rai, Man Mohan↗

NASA NTRS2013

A Lightweight I/O Scheme to Facilitate Spatial and Temporal Queries of Scientific Data Analytics

In the era of petascale computing, more scientific applications are being deployed on leadership scale computing platforms to enhance the scientific productivity. Many I/O techniques have been designed to address the growing I/O bottleneck on large-scale systems by handling massive scientific data in a holistic manner. While such techniques have been leveraged in a wide range of applications, they have not been shown as adequate for many mission critical applications, particularly in data post-processing stage. One of the examples is that some scientific applications generate datasets composed of a vast amount of small data elements that are organized along many spatial and temporal dimensions but require sophisticated data analytics on one or more dimensions. Including such dimensional knowledge into data organization can be beneficial to the efficiency of data post-processing, which is often missing from exiting I/O techniques. In this study, we propose a novel I/O scheme named STAR (Spatial and Temporal AggRegation) to enable high performance data queries for scientific analytics. STAR is able to dive into the massive data, identify the spatial and temporal relationships among data variables, and accordingly organize them into an optimized multi-dimensional data structure before storing to the storage. This technique not only facilitates the common access patterns of data analytics, but also further reduces the application turnaround time. In particular, STAR is able to enable efficient data queries along the time dimension, a practice common in scientific analytics but not yet supported by existing I/O techniques. In our case study with a critical climate modeling application GEOS-5, the experimental results on Jaguar supercomputer demonstrate an improvement up to 73 times for the read performance compared to the original I/O method.

Temporal Queries↗

DOE OSTI2025

Chemical Reactor Network Modeling of Ammonia Rich-Quench-Lean Combustion Using a Partially Stirred Reactor Approach

Ammonia is a promising alternative to hydrogen with high energy density and favorable storage and transport characteristics. However, low flammability and a propensity for high nitrogen oxide (NO x ) emissions make direct utilization challenging. Recently, two-stage rich-quench-lean (RQL) combustion strategies have shown promise in achieving low NO x emissions with ammonia. In this approach, the rich stage serves to oxidize a portion of the fuel while thermally decomposing as much of the remaining ammonia as possible, generating hydrogen. In the second (lean) stage, air is rapidly introduced, burning out the hydrogen and residual ammonia. Two-stage RQL combustion of ammonia has been investigated in the open literature both experimentally and numerically. In general, idealized chemical reactor network (CRN) models predict NO x concentrations below those of 2D/3D computational fluid dynamics models and experiments. The primary drivers of these discrepancies may be largely attributed to finite rate mixing nonadiabatic operation. The typical CRN model is comprised of a perfectly-stirred-reactor (PSR), followed by a plug-flow-reactor (PFR), meant to represent the flame, and postflame zones, respectively. In the two-stage RQL approach two PSR-PFR networks are arranged sequentially, corresponding to the rich and lean stages, with secondary air injection in between. In the authors' past work, this arrangement has demonstrated the significant sensitivity of exit NO x to the rich stage equivalence ratio, while the amount of secondary air injection was shown to be less critical. In this paper, the CRN model is extended to (1) include the impacts of heat loss and (2) utilize a partially-stirred-reactor (PaSR) approach to study the impacts of mixing on emissions performance. Varying amounts of heat loss are applied to the rich relaxation zone to understand emissions performance and changes to optimization of equivalence ratio and residence time. Premixed and nonpremixed configurations are considered in the rich stage PaSR, with varying degrees of mixing intensity to study the interaction between mixing, transport, and kinetic timescales. Critically, the impact of mixing between hot products and secondary air injection is studied to understand practical injector needs. Results show unburnt ammonia leaving the rich stage as a primary contributor to NO x emissions – driven both by increased heat loss and reduced mixing rates. Furthermore, heat losses have been shown to create conditions that are conducive to increased N 2 O formation in the lean stage. In conclusion, the results of this study will be considered in the context of developing optimized two-stage RQL combustors for ammonia.

Combustion↗

NASA NTRS1999

Trace Chemistry

The goals of the trace chemistry group were to identify the processes relevant to aerosol and aerosol precursor formation occurring within aircraft gas turbine engines; that is, within the combustor, turbine, and nozzle. The topics of discussion focused on whether the chemistry of aerosol formation is homogeneous or heterogeneous; what species are important for aerosol and aerosol precursor formation; what modeling/theoretical activities to pursue; what experiments to carry out that both support modeling activities and elucidate fundamental processes; and the role of particulates in aerosol and aerosol precursor formation. The consensus of the group was that attention should be focused on SO2, SO3, and aerosols. Of immediate concern is the measurement of the concentration of the species SO3, SO2, H2SO4 OH, HO2, H2O2, O, NO, NO2, HONO, HNO3, CO, and CO2 and particulates in various engines, both those currently in use and those in development. The recommendation was that concentration measurements should be made at both the combustor exit and the engine exit. At each location the above species were classified into one of four categories of decreasing importance, Priority I through IV, as follows: Combustor exit: Priority I species - SO3:SO2 ratio, SO3, SO2, and particulates; Priority II species: OH and O; Priority III species - NO and NO2; and Priority IV species - CO and CO2. For the Engine exit: Priority I species - SO3:SO2 ratio, SO3, SO2,H2SO4, and particulates; Priority II species: OH,HO2, H2O2, and O; Priority III species - NO, NO2, HONO, and HNO3; and Priority IV species - CO and CO2. Table I summarizes the anticipated concentration range of each of these species. For particulate matter, the quantities of interest are the number density, size distribution, and composition. In order to provide data for validating multidimensional reacting flow models, it would be desirable to make 2-D, time-resolved measurements of the concentrations of the above species and, in addition, of the pressure, temperature, and velocity. A near term goal of the experimental program should be to confirm the nonlinear effects of sulfur speciation, and if present, to provide an explanation for them. It is also desirable to examine if the particulate matter retains any sulfur. The recommendation is to examine the effects on SOx production of variations in fuel-bound sulfur and aromatic content (which may affect the amount of particulates formed). These experiments should help us to understand if there is a coupling between particulate formation and SO, concentration. Similarly, any coupling with NOx can be examined either by introducing NOx into the combustion air or by using fuel-bound nitrogen. Also of immediate urgency is the need to establish and validate a detailed mechanism for sulfur oxidation/aerosol formation, whose chemistry is concluded to be homogeneous, because there is not enough surface area for heterogeneous effects. It is envisaged that this work will involve both experimental and theoretical programs. The experimental work will require, in addition to the measurements described above, fundamental studies in devices such as flow reactors and shock tubes. Complementing this effort should be modeling and theoretical activities. One impediment to the successful modeling of sulfur oxidation is the lack of reliable data for thermodynamic and transport properties for several species, such as aqueous nitric acid, sulfur oxides, and sulfuric acid. Quantum mechanical calculations are recommended as a convenient means of deriving values for these properties. Such calculations would also help establish rate constants for several important reactions for which experimental measurements are inherently fraught with uncertainty. Efforts to implement sufficiently detailed chemistry into computational fluid dynamic codes should be continued. Zero- and one-dimensional flow models are also useful vehicles for elucidating the minimal set of species and reactions that must be included in two- and three-dimensional modeling studies.

Radhakrishnan, Krishnan↗