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NASA NTRS2011

Fire-Retardant Polymeric Additives

Polyhydroxyamide (PHA) and polymethoxyamide (PMeOA) are fire-retardant (FR) thermoplastic polymers and have been found to be useful as an additive for imparting fire retardant properties to other compatible, thermoplastic polymers (including some elastomers). Examples of compatible flammable polymers include nylons, polyesters, and acrylics. Unlike most prior additives, PHA and PMeOA do not appreciably degrade the mechanical properties of the matrix polymer; indeed, in some cases, mechanical properties are enhanced. Also, unlike some prior additives, PHA and PMeOA do not decompose into large amounts of corrosive or toxic compounds during combustion and can be processed at elevated temperatures. PMeOA derivative formulations were synthesized and used as an FR additive in the fabrication of polyamide (PA) and polystyrene (PS) composites with notable reduction (>30 percent for PS) in peak heat release rates compared to the neat polymer as measured by a Cone Calorimeter (ASTM E1354). Synergistic effects were noted with nanosilica composites. These nanosilica composites had more than 50-percent reduction in peak heat release rates. In a typical application, a flammable thermoplastic, thermoplastic blend, or elastomer that one seeks to render flame-retardant is first dry-mixed with PHA or PMeOA or derivative thereof. The proportion of PHA or PMeOA or derivative in the mixture is typically chosen to lie between 1 and 20 weight percent. The dry blend can then be melt-extruded. The extruded polymer blend can further be extruded and/or molded into fibers, pipes, or any other of a variety of objects that may be required to be fire-retardant. The physical and chemical mechanisms which impart flame retardancy of the additive include inhibiting free-radical oxidation in the vapor phase, preventing vaporization of fuel (the polymer), and cooling through the formation of chemical bonds in either the vapor or the condensed phase. Under thermal stress, the cyclic hydroxyl/ methoxy component forms polybenzoxazole (PBO) in a reaction that absorbs heat from its surroundings. PBO under thermal stress cross-links, forming a protective char layer, which thermally insulates the polymer. Thus, the formation of the char layer further assists to extinguish the fire by preventing vaporization of the polymeric fuel.

Williams, Martha K.↗

NASA NTRS2024

Making Rocket Fuel from Moon Rocks: Silicon-Liquid Oxygen (SiLOX) as a Hybrid Propellant

The research team at KSC explored the controlled passivation and burning of Lunar soil constituents in an oxygen combustion vessel for use as an in-space resource. Technologies such as carbothermal reduction (CaRD) and molten regolith electrolysis (MRE) are being developed to remove the oxygen for use and leave constituents in an enriched state. This leaves behind reduced compounds that can react with oxygen for heat generation. The team at KSC looked to explore the feasibility of controlling such reactions in a pure oxygen environment for potential technology integrations. Our proof-of-concept demonstrations have given promise to many potential applications for the controlled burning or combustion of nano- and porous silicon for silicon based, Lunar economy applications. The team at KSC was able to control the burn rate and total energy released effectively via pre-treatment of the nano-silicon in a muffle furnace at varying temperatures at one-hour durations. We created a new capability at KSC with the supporting safety documentation and procedural writeup. Our work highlights the need for greater investigation to understand the regenerative properties of the proposed porous silicon discs, and its viability of a thermal and electrical energy source. This work has demonstrated the proof-of-concept that elemental silicon is able to be combusted with gaseous and liquid oxygen in a controlled manner. This report provides such evidence as well as theoretical calculations and assumptions made for technologies that would be useful in Lunar surface operations with in-situ resources. The concepts are based on the assumption that oxygen extraction technologies from Lunar regolith processing will result in enriched silicon that may be adapted for the presented use cases. Additionally, the energy storage concept is able to be adapted for terrestrial use and integrated into already existing infrastructure.

Kenneth Engeling↗

DOE OSTI2021

Demonstration of Better than Diesel Efficiency and Soot Emissions using Gasoline Compression Ignition in a Light Duty Engine with a Fuel Pressure Limitation

Increasing regulatory demand to reduce CO2 emissions has led to a focus on advanced combustion strategy development to improve overall engine efficiency. Gasoline compression ignition (GCI) has been demonstrated by others to have the potential to meet future CO2 regulations and emissions while achieving comparable to better efficiency than conventional diesel compression ignition (DCI). Soot and NOx emissions are also reduced significantly by using gasoline instead of diesel in compression ignition engines due to differences in composition, fuel properties, and reactivity. In comparison with diesel fuel, gasoline has a higher volatility and more resistance to autoignition, therefore, its longer ignition delay time will allow for better mixing of the air-fuel charge before combustion. In this study, a GCI combustion system has been tested in a Hyundai 2.2L engine as part of a US Department of Energy funded project. A double-injection strategy was tested from mid-to-high loads (5-20 bar BMEP) and for engine speeds in the range of 1200-3000 rpm. Up to 43.4% brake thermal efficiency was achieved using the GCI mode versus 41% using DCI mode. The GCI mode has demonstrated two distinct strategies that work at different load ranges, partially premixed compression ignition (PPCI) and mixing-controlled compression ignition (MCCI). Overall, this study shows that for similar engine-out NOx levels, GCI mode had higher brake thermal efficiency than DCI with lower fuel pressure and EGR required.

02 PETROLEUM↗

DOE OSTI2016

Derate Mitigation Options for Pulverized Coal Power Plant Carbon Capture Retrofits

Carbon capture and storage (CCS) technologies available in the near-term for pulverized coal-fueled power plants (i.e., post combustion solvent technologies) require substantial capital investment and result in marked decrease in electricity available for sale to the grid. The impact to overall plant economics can be mitigated for new plant designs (where the entire plant can be optimized around the CCS system). However, existing coal-fueled power plants were designed without the knowledge or intent to retrofit a CCS process, and it is simply not possible to re-engineer an existing plant in a manner that it could achieve the same performance as if it was originally designed and optimized for CCS technology. Pairing an auxiliary steam supply to the capture system is a technically feasible option to mitigate the derate resulting from diverting steam away from an existing steam turbine and continuing to run that turbine at steam flow rates and properties outside of the original design specifications. The results of this analysis strongly support the merits of meeting the steam and power requirements for a retrofitted post-combustion solvent based carbon dioxide (CO2) capture system with an auxiliary combined heat and power (CHP) plant rather than robbing the base plant (i.e., diverting steam from the existing steam cycle and electricity from sale to the grid).

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1992

Theoretical study of thermodynamic properties and reaction rates of importance in the high-speed research program

One of the primary goals of NASA's high-speed research program is to determine the feasibility of designing an environmentally safe commercial supersonic transport airplane. The largest environmental concern is focused on the amount of ozone destroying nitrogen oxides (NO(x)) that would be injected into the lower stratosphere during the cruise portion of the flight. The limitations placed on NO(x) emission require more than an order of magnitude reduction over current engine designs. To develop strategies to meet this goal requires first gaining a fundamental understanding of the combustion chemistry. To accurately model the combustor requires a computational fluid dynamics approach that includes both turbulence and chemistry. Since many of the important chemical processes in this regime involve highly reactive radicals, an experimental determination of the required thermodynamic data and rate constants is often very difficult. Unlike experimental approaches, theoretical methods are as applicable to highly reactive species as stable ones. Also our approximation of treating the dynamics classically becomes more accurate with increasing temperature. In this article we review recent progress in generating thermodynamic properties and rate constants that are required to understand NO(x) formation in the combustion process. We also describe our one-dimensional modeling efforts to validate an NH3 combustion reaction mechanism. We have been working in collaboration with researchers at LeRC, to ensure that our theoretical work is focused on the most important thermodynamic quantities and rate constants required in the chemical data base.

Langhoff, Stephen↗

NASA NTRS1999

Experimental Study of Unsupported Nonane fuel Droplet Combustion in Microgravity

Soot formation in droplet flames is the basic component of the particulate emission process that occurs in spray combustion. The complexity of soot formation motivates a one-dimensional transport condition which has obvious advantages in modeling. Recent models of spherically symmetric droplet combustion have made this assumption when incorporating such aspects as detailed chemistry and radiation. Interestingly, spherical symmetry does not necessarily restrict the results because it has been observed that the properties of carbon formed in flames are not strongly affected by the nature of the fuel or flaming configuration. What is affected, however, are the forces acting on the soot aggregates and where they are trapped by a balance of drag and thermophoretic forces. The distribution of these forces depends on the transport conditions of the flame. Prior studies of spherical droplet flames have examined the droplet burning history of alkanes, alcohols and aromatics. Data are typically the evolution of droplet, flame, extinction, and soot shell diameters. These data are only now just beginning to find their way into comprehensive numerical models of droplet combustion to test proposed oxidation schemes for fuels such as methanol and heptane. In the present study, we report new measurements on the burning history of unsupported nonane droplets in a convection-free environment to promote spherical symmetry. The far-field gas is atmospheric pressure air at room temperature. The evolution of droplet diameter was measured using high speed cine photography of a spark-ignited, droplet within a confined volume in a drop tower. The initial droplet diameters varied between 0.5 mm and 0.6 mm. The challenge of unsupported droplets is to form, deploy and ignite them with minimal disturbance, and then to keep them in the camera field of view. Because of the difficulty of this undertaking, more sophisticated diagnostics for studying soot than photographic were not used. Supporting the test droplet by a fiber fixes the droplet position but the fiber can perturb the burning process especially for a sooting fuel. Prior studies on heptane showed little evidence for soot formation due to g-droplets of similar size the relationship between sooting and droplet diameter. For nonane droplets we expect increased sooting due to the greater number of carbon atoms. As a sooting droplet burns and its diameter decreases, proportionally less soot should form. This reduced soot, as well as the influence of soot formed earlier in the burning process which collects in a 'shell', on heat transport to the flame offers the potential for a time-varying burning rate. Such an effect was investigated and revealed in results reported here. Speculation is offered for the cause of this effect and its possible relation to soot formation.

Callahan, B. J.↗

DOE OSTI2022

Replicating HCCI-like autoignition behavior: What gasoline surrogate fidelity is needed?

This work seeks to characterize the fidelity needed in a gasoline surrogate with the intent to replicate the complex autoignition behavior exhibited within advanced combustion engines, and specifically Homogeneous Charge Compression Ignition (HCCI). A low-temperature gasoline combustion (LGTC) engine operating in HCCI mode and a rapid compression machine (RCM) are utilized to experimentally quantify fuel reactivity, through autoignition and preliminary heat release characteristics. Fuels considered include a research grade E10 U.S. gasoline (RD5-87), three multi-component surrogates (PACE-1, PACE-8, PACE-20), and a binary surrogate (PRF88.4). Each fuel was studied at lean/HCCI-like conditions covering a wide range of temperatures and pressures that are representative of naturally aspirated to high boost engine operation. Detailed chemical kinetic modeling is also undertaken using a recently updated gasoline surrogate kinetic model to simulate the RCM experiments and to provide chemical insight into surrogate-to-surrogate differences. The LGTC engine experiments demonstrate nearly identical reactivity between PACE-20 and RD5-87 across studied conditions, while faster phasing is seen for both PACE-1 and PACE-8 due to their stronger intermediate- and low-temperature heat release (ITHR/LTHR) at naturally aspirated and boosted conditions, respectively. The RCM experiments reveal typical low-temperature, negative temperature coefficient (NTC) and intermediate-temperature autoignition behaviors at all pressure conditions for RD5-87, which are qualitatively reproduced by all surrogates. Quantitative discrepancies in both autoignition and preliminary heat release are observed for all surrogates, while their ability to replicate RD5-87 autoignition behavior follows the order of PACE-20 > PACE-1 > PACE-8 > PRF88.4. Excellent mapping is obtained between the LGTC engine and the RCM, where the engine pressure-time trajectories can be characterized by the regimes represented by the RCM autoignition isopleths. The kinetic model performs commendably when simulating both autoignition and preliminary heat release of PACE-20, while typically overpredicting ignition delay times for PACE-1, PACE-8 and PRF88.4 at high-pressure and low-temperature/NTC conditions. Sensitivity and rate of production (ROP) analyses highlight surrogate-to-surrogate differences in the governing chemical kinetics where n-pentane initiates rapid OH branching at a faster rate and an earlier timing for PACE-20 than iso-pentane does for PACE-1 and PACE-8, making it computationally more reactive than the other surrogates. The current study highlights the need to include non-standardized properties, such as the lean/HCCI-like autoignition characteristics, in addition to ASTM properties (e.g., RON, MON) as metrics of fuel reactivity and targets to be matched when formulating high-fidelity surrogates that fully capture gasoline advanced combustion behavior such as HCCI-like autoignition.

42 ENGINEERING↗

DOE OSTI2019

Structural, Electrical, and Magnetic Properties of Ferrite-Reinforced PANI Composites

A Y-type hexagonal ferrite with chemical composition CaBaCo{sub 2}In{sub 0.5}Fe{sub 11.5}O{sub 22} was prepared by a sol-gel auto combustion technique. Y-ferrite/PANI nanocomposites were prepared by in situ polymerization of PANI with general formula CaBaCo{sub 2}In{sub 0.5}Fe{sub 11.5}O{sub 22} (1-x) + PANI (x) (x = 0.30, 0.50, 0.8, and 1) with nomenclature CF1, CF2, CF3, and P respectively. The samples were characterized by X-ray diffraction (XRD) and electrical and magnetic measurements. X-ray diffraction revealed that Y-type ferrite was successfully prepared in a single phase form. DC resistivity increases with increasing ferrite filler in nanocomposites due to large resistive behavior of ferrite in conducting polymer matrix. The dielectric constant, dielectric loss, and AC conductivity decreases with the increase of ferrite content. The dielectric is high due to interfacial polarization at low frequency, and it is low at high frequency following Maxwell-Wagner model. The coercivity increases with the decrease of ferrite filler content whereas saturation magnetization and remanence decreases which is due to random distribution of ferrite filler particles in PANI matrix. Due to large coercivity and low values of ε′ and ε″, the present samples may be useful in recording media and electromagnetic shielding.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1988

Navier-Stokes calculation of solid-propellant rocket motor internal flowfields

A comprehensive numerical analysis has been carried out to study the detailed physical and chemical processes involved in the combustion of homogeneous propellant in a rocket motor. The formulation is based on the time-dependent full Navier-Stokes equations, with special attention devoted to the chemical reactions in both gas and condensed phases. The turbulence closure is achieved using both the Baldwin-Lomax algebraic model and a modified k-epsilon two-equation scheme with a low Reynolds number and near-wall treatment. The effects of variable thermodynamic and transport properties are also included. The system of governing equations are solved using a multi-stage Runge-Kutta shceme with the source terms treated implicitly. Preliminary results clearly demonstrate the presence of various combustion regimes in the vicinity of propellant surface. The effects of propellant combustion on the motor internal flowfields are investigated in detail.

Hsieh, Kwang-Chung↗

DOE OSTI2023

Experimental and numerical investigation of ester droplet combustion: Application to butyl acetate

This paper presents an experimental and numerical study of the combustion of isolated n–butyl acetate droplets in the standard atmosphere. Numerical simulations are reported using a model that incorporates unsteady gas and liquid transport, variable properties, and radiation. Three skeletal mechanisms of n-butyl acetate, derived from a large detailed mechanism comprised of 819 species and 52,698 reactions, were used in the numerical simulations to evaluate the influence of the kinetic mechanism on burning. The reduced mechanisms comprised 212 species and 5413 reactions, 157 species and 3089 reactions, and 105 species and 1035 reactions. The numerical model did not include soot formation, though qualitatively mild sooting was noted only for droplets larger than 0.7 mm. The numerical predictions were in good agreement with experimental measurements of droplet and flame diameters. Flame extinction was numerically predicted which was attributed to a decrease of the characteristic diffusion time relative to the chemical time as droplet burned. Effects of initial droplet diameter on the evolution of maximum gas temperature (T max ) and peak mole fractions of CO 2 and CO are also examined numerically.

09 BIOMASS FUELS↗

DOE OSTI2022

Parametric Testing and Evaluation of a Novel Biphasic Absorption Process for Post-Combustion Carbon Capture

A novel biphasic CO2 absorption process (BiCAP) is being developed at the University of Illinois. BiCAP is enabled by using a new class of biphasic solvents developed based on multi-property criteria for postcombustion carbon capture. The process was previously demonstrated at the lab-scale, including in 10 kWe absorption and desorption column systems. In the current study, the process has been scaled up by building and testing a 40 kWe integrated capture skid at a power plant. Parametric tests for two biphasic solvents were conducted with the synthetic flue gas made of bottle CO2 gas and air to validate the performance and operational flexibility of the unit with respect to varying process or operating conditions. Operation of the phase separator, which is unique equipment to BiCAP, was verified to be stable and efficient. Two liquid phases could be separated via static settlement based on a density difference and >90% of the CO2 absorbed was concentrated in the separated CO2-rich phase. Results of parametric tests showed that the minimum heat duty appeared at the optimal stripping pressure. A higher stripping temperature was more favourable to improve overall energy performance. Introducing a secondary cold solvent feed stream to the top of the stripper via bypassing the cross heat exchanger helped reduce the heat loss carried with water vapour. Test results also revealed that the heat duty requirement was comparable when the CO2 concentration in flue gas decreased from ~11 to 4 vol.% as the phase separation decoupled the absorption and desorption steps in BiCAP. Under typical steady-state conditions, both biphasic solvents lowered the process heat duty by >40% compared with the reference 30 wt.% monoethanolamine solvent.

Absorption↗

DOE OSTI2019

Relative Role of Particle Size and Shape on the Magnetic and Catalytic Behavior of Nanozinc Chromite

The purpose of this study is to define an effective synthesis for spinel-type zinc chromite (ZnCr{sub 2}O{sub 4}) nanoparticles by a simple microwave combustion method. The synthesized material was analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and from optical properties. A magnetic property for the material was examined through the vibrating sample magnetism. The distribution of the external magnetic lines of force and the self-generated magnetic field of ferromagnetic materials was taken into account in the presence of an external magnetic field. Zinc chromite showed good performances in catalytic oxidation, and the role of particle size and shape is highlighted.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2020

Understanding how chemical structure affects ignition-delay-time $\phi$-sensitivity

$\phi$-sensitivity is the change in ignition delay time (IDT) with respect to the fuel-to-air equivalence ratio ($\phi$). High $\phi$-sensitivity is a desirable fuel property for applications in advanced compression ignition and multi-mode engine designs. Understanding how $\phi$-sensitivity depends on chemical structure is essential for selecting promising biofuels from the ever-growing list of proposed candidates. Here, we investigate the effect of chemical structure on $\phi$-sensitivity with experiment, simulation, and theory. Experimental Advanced Fuel Ignition Delay Analyzer (AFIDA) measurements for 2,4-dimethylpentane and diisopropyl ether provide evidence that branching and functional groups strongly impact $\phi$-sensitivity. Further insights into this dependence are obtained with 0-D kinetic simulations with existing mechanisms for n-pentane, diethyl ether, 3-pentanone, n-heptane, 2-methylhexane, 2,4-dimethylpentane, and 2,2,3-trimethylbutane. Quantum mechanical (QM) G4 calculations of low-temperature reactions help explain the observed experimental and simulation trends. Specifically, these QM calculations provide theoretical estimates of the ketohydroperoxide (KHP) dissociation rates, the HO 2 formation rates from peroxy radical (ROO), and the “cross-over” temperatures, i.e., the temperature at which ROO dissociation is favored compared to hydroperoxyl radical (QOOH) formation. Each of these reaction rates is compared to the n-alkane reference point to determine the impact of branching and different functional groups. Although kinetic mechanisms typically assume that KHP dissociation rates are invariant of chemical environment, our QM results suggest that this rate can span a range of roughly two orders of magnitude. We also discuss the importance of including the peroxy-hydroperoxy (OO-OOH) hydrogen transfer reaction for branched ethers. Finally, the insights gained assist in proposing a highly $\phi$-sensitive compound, namely, isopropyl propyl ether.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Impact of humidity on gas transport in polybenzimidazole membranes

Polybenzimidazoles (PBIs) are promising materials for high temperature H 2 /CO 2 separation in applications such as steam reforming and pre-combustion carbon capture where significant amounts of water are often present. However, PBIs are hydrophilic, and the impact of humidity on PBI gas separation properties is relatively unexplored. Furthermore, opportunity exists to elucidate the interplay between plasticization, free volume, and gas transport in glassy polymer membranes such as PBIs. Here, this study investigates the effect of humidity on H 2 , O 2 , and CO 2 permeabilities at 35 °C in a commercial PBI and two sulfone-containing PBIs. Water uptake significantly reduces PBI gas permeabilities at low humidities due to competitive sorption and antiplasticization. At high humidities, plasticization increases the permeabilities of larger gases in more hydrophilic PBIs. Effective fractional free volumes evaluated from gas permeation data and previously reported water sorption and dilation data suggest water plasticizes PBIs by increasing accessible free volume via enhanced molecular dynamics rather than by creating new free volume cavities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Making Coal Relevant for Small Scale Applications: Modular Gasification for Syngas/Engine CHP Applications in Challenging Environments

The proposed project includes construction and operation of a power plant consisting of coal gasification facilities and engine generators which would produce electrical power and heat. The recovered heat and a portion of the carbon dioxide emissions from the engines would support an onsite greenhouse and other heat and power customers. The proposed project site is located on the Marathon North Pole Terminal property in North Pole, Alaska. Two gasifiers would convert the coal into syngas, which would be fed through a gas cleanup train and then combusted in six reciprocating engines driving electric generators. Heat recovery on the engine cooling loops and exhaust trains would provide heat to a glycol/water circulation system for use in the greenhouse, in the Marathon facilities and for other customers. Natural gas would fuel two additional engine generators and would also be available to supplement the syngas-fired engines.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2019

Characterization of Particulate Matter Emissions from Heavy-Duty Partially Premixed Compression Ignition with Gasoline-Range Fuels

In this study, the compression ratio of a commercial 15L heavy-duty diesel engine was lowered and a split injection strategy was developed to promote partially premixed compression ignition (PPCI) combustion. Various low reactivity gasoline-range fuels were compared with ultra-low-sulfur diesel fuel (ULSD) for steady-state engine performance and emissions. Specially, particulate matter (PM) emissions were examined for their mass, size and number concentrations, and further characterized by organic/elemental carbon analysis, chemical speciation and thermogravimetric analysis. As more fuel-efficient PPCI combustion was promoted, a slight reduction in fuel consumption was observed for all gasoline-range fuels, which also had higher heating values than ULSD. Since mixing-controlled combustion dominated the latter part of the combustion process, hydrocarbon (HC) and carbon monoxide (CO) emissions were only slightly increased with the gasoline-range fuels. In contrast, soot emissions were significantly reduced with the gasoline-range fuels, including a ~70% reduction in micro soot sensor measurements and a >50% reduction in smoke meter measurements. All gasoline-range fuel PM samples were also found to contain higher amount of volatile species and organic carbon fractions compared to ULSD PM samples as measured by thermogravimetric and EC-OC analyses. Various partially oxidized HC species and nitrophenolic compounds were also detected by TDP-GC-MS and CE-MS techniques, which implied that more pronounced PPCI combustion occurred with the gasoline-range fuels. As a whole similar PM oxidation behavior was observed despite the differences in reactivity and chemical properties of the fuels, even though there may be some significant impacts under certain operating conditions.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Impact of biomass burning aerosols on radiation, clouds, and precipitation over the Amazon: relative importance of aerosol–cloud and aerosol–radiation interactions

Biomass burning (BB) aerosols can influence regional and global climate through interactions with radiation, clouds, and precipitation. Here, we investigate the impact of BB aerosols on the energy balance and hydrological cycle over the Amazon Basin during the dry season. We performed simulations with a fully coupled meteorology–chemistry model, the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem), for a range of different BB emission scenarios to explore and characterize nonlinear effects and individual contributions from aerosol–radiation interactions (ARIs) and aerosol–cloud interactions (ACIs). The ARIs of BB aerosols tend to suppress low-level liquid clouds by local warming and increased evaporation and to facilitate the formation of high-level ice clouds by enhancing updrafts and condensation at high altitudes. In contrast, the ACIs of BB aerosol particles tend to enhance the formation and lifetime of low-level liquid clouds by providing more cloud condensation nuclei (CCN) and to suppress the formation of high-level ice clouds by reducing updrafts and condensable water vapor at high altitudes (>8 km). For scenarios representing the lower and upper limits of BB emission estimates for recent years (2002–2016), we obtained total regional BB aerosol radiative forcings of –0.2 and 1.5 W m –2 , respectively, showing that the influence of BB aerosols on the regional energy balance can range from modest cooling to strong warming. We find that ACIs dominate at low BB emission rates and low aerosol optical depth (AOD), leading to an increased cloud liquid water path (LWP) and negative radiative forcing, whereas ARIs dominate at high BB emission rates and high AOD, leading to a reduction of LWP and positive radiative forcing. In all scenarios, BB aerosols led to a decrease in the frequency of occurrence and rate of precipitation, caused primarily by ACI effects at low aerosol loading and by ARI effects at high aerosol loading. The dependence of precipitation reduction on BB aerosol loading is greater in a strong convective regime than under weakly convective conditions. Overall, our results show that ACIs tend to saturate at high aerosol loading, whereas the strength of ARIs continues to increase and plays a more important role in highly polluted episodes and regions. This should hold not only for BB aerosols over the Amazon, but also for other light-absorbing aerosols such as fossil fuel combustion aerosols in industrialized and densely populated areas. The importance of ARIs at high aerosol loading highlights the need for accurately characterizing aerosol optical properties in the investigation of aerosol effects on clouds, precipitation, and climate.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1985

Modeling of dense sprays from LOX/H2 coaxial injectors under supercritical conditions

Assumptions commonly employed in the analytical description of a thin spray become unacceptable as the droplet density and droplet volume displacement become large. Changes in the semiempirical models describing drop-drop or drop-gas interactions as well as in the basic modeling approach itself may be necessary. A number of efforts undertaken to improve such models of the atomization-evaporation process to render them applicable in the dense-spray, supercritical regime are described. The improvements include those for variable drop density, supercritical properties, stripping evaporation and drop reincorporation into the liquid stream. The models are developed for use with the ARICC three-phase finite difference combustion code. Selected results from a sample calculation are presented, demonstrating the enhanced realism achievable with the upgraded models.

Liang, P. Y.↗