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A computer model for one-dimensional mass and energy transport in and around chemically reacting particles, including complex gas-phase chemistry, multicomponent molecular diffusion, surface evaporation, and heterogeneous reaction

Various chemically reacting flow problems highlighting chemical and physical fundamentals rather than flow geometry are presently investigated by means of a comprehensive mathematical model that incorporates multicomponent molecular diffusion, complex chemistry, and heterogeneous processes, in the interest of obtaining sensitivity-related information. The sensitivity equations were decoupled from those of the model, and then integrated one time-step behind the integration of the model equations, and analytical Jacobian matrices were applied to improve the accuracy of sensitivity coefficients that are calculated together with model solutions.

Cho, S. Y.↗

High altitude chemically reacting gas particle mixtures. Volume 1: A theoretical analysis and development of the numerical solution

The overall contractual effort and the theory and numerical solution for the Reacting and Multi-Phase (RAMP2) computer code are described. The code can be used to model the dominant phenomena which affect the prediction of liquid and solid rocket nozzle and orbital plume flow fields. Fundamental equations for steady flow of reacting gas-particle mixtures, method of characteristics, mesh point construction, and numerical integration of the conservation equations are considered herein.

Smith, S. D.↗

Supersonic Flow of Chemically Reacting Gas-Particle Mixtures. Volume 2: RAMP - A Computer Code for Analysis of Chemically Reacting Gas-Particle Flows

A computer program written in conjunction with the numerical solution of the flow of chemically reacting gas-particle mixtures was documented. The solution to the set of governing equations was obtained by utilizing the method of characteristics. The equations cast in characteristic form were shown to be formally the same for ideal, frozen, chemical equilibrium and chemical non-equilibrium reacting gas mixtures. The characteristic directions for the gas-particle system are found to be the conventional gas Mach lines, the gas streamlines and the particle streamlines. The basic mesh construction for the flow solution is along streamlines and normals to the streamlines for axisymmetric or two-dimensional flow. The analysis gives detailed information of the supersonic flow and provides for a continuous solution of the nozzle and exhaust plume flow fields. Boundary conditions for the flow solution are either the nozzle wall or the exhaust plume boundary.

Penny, M. M.↗

High altitude chemically reacting gas particle mixtures. Volume 3: Computer code user's and applications manual

A users manual for the RAMP2 computer code is provided. The RAMP2 code can be used to model the dominant phenomena which affect the prediction of liquid and solid rocket nozzle and orbital plume flow fields. The general structure and operation of RAMP2 are discussed. A user input/output guide for the modified TRAN72 computer code and the RAMP2F code is given. The application and use of the BLIMPJ module are considered. Sample problems involving the space shuttle main engine and motor are included.

Smith, S. D.↗

Propagation Regime of Iron Dust Flames

A flame propagating through an iron-dust mixture can propagate in two asymptotic regimes. When the characteristic time of heat transfer between particles is much smaller than the characteristic time of particle combustion, the flame propagates in the continuum regime where the heat released by reacting particles can be modelled as a space-averaged function. In contrast, when the characteristic time of heat transfer is much larger than the particle reaction time, the flame can no longer be treated as a continuum due to dominating effects associated with the discrete nature of the particle reaction. The discrete regime is characterized by weak dependence of the flame speed on the oxygen concentration compared to the continuum regime. The discrete regime is observed in flames propagating through an iron dust cloud within a gas mixture containing xenon, while the continuum regime is obtained when xenon is substituted with helium.

Tang, Francois-David↗

Scattering by fluffy grains

There are indications (Greenberg et al., 1988), that fluffy (i.e., porous) particles are responsible for the observed 3.4 and 10 micron emissions of comet Halley. The absorption characteristics of small particles both solid and fluffy are needed in order to explain the Halley emissions. How isolated small solid particles react to an external radiation field is well known - the Rayleigh approximation. How these same small particles emit when assembled as fluffy aggregates in another question. To what degree are the emission spectra of isolated and aggregated particles comparable. In order to quantify the assertion that fluffy particles produce the observed Halley infrared emission features, the authors are performing calculations to determine the effect of porosity on the absorption characteristics of aggregates of interstellar grain-type particles. The calculations are based on an integral representation of the scattered electromagnetic field. Results are given with application to comet Halley.

Hage, J. I.↗

Supersonic flow of chemically reacting gas-particle mixtures. Volume 1: A theoretical analysis and development of the numerical solution

A numerical solution for chemically reacting supersonic gas-particle flows in rocket nozzles and exhaust plumes was described. The gas-particle flow solution is fully coupled in that the effects of particle drag and heat transfer between the gas and particle phases are treated. Gas and particles exchange momentum via the drag exerted on the gas by the particles. Energy is exchanged between the phases via heat transfer (convection and/or radiation). Thermochemistry calculations (chemical equilibrium, frozen or chemical kinetics) were shown to be uncoupled from the flow solution and, as such, can be solved separately. The solution to the set of governing equations is obtained by utilizing the method of characteristics. The equations cast in characteristic form are shown to be formally the same for ideal, frozen, chemical equilibrium and chemical non-equilibrium reacting gas mixtures. The particle distribution is represented in the numerical solution by a finite distribution of particle sizes.

Penny, M. M.↗

Exhaust plume impingement of chemically reacting gas-particle flows

A series of computer codes has been developed to predict gas-particle flows and resulting impingement forces, moments and heating rates to surfaces immersed in the flow. The gas-particle flow solution is coupled via heat transfer and drag between the phases with chemical effects included in the gas phase. The flow solution and impingement calculations are discussed. Analytical results are compared with test data obtained to evaluate gas-particle effects on the Space Shuttle thermal protection system during the staging maneuver.

Smith, S. D.↗

Dynamics and Structure of Dusty Reacting Flows: Inert Particles in Strained, Laminar, Premixed Flames

A detailed numerical study was conducted on the dynamics and thermal response of inert, spherical particles in strained, laminar, premixed hydrogen/air flames. The modeling included the solution of the steady conservation equations for both the gas and particle phases along and around the stagnation streamline of an opposed-jet configuration, and the use of detailed descriptions of chemical kinetics and molecular transport, For the gas phase, the equations of mass, momentum, energy, and species are considered, while for the particle phase, the model is based on conservation equations of the particle momentum balance in the axial and radial direction, the particle number density, and the particle thermal energy equation. The particle momentum equation includes the forces as induced by drag, thermophoresis, and gravity. The particle thermal energy equation includes the convective/conductive heat exchange between the two phases, as well as radiation emission and absorption by the particle. A one-point continuation method is also included in the code that allows for the description of turning points, typical of ignition and extinction behavior. As expected, results showed that the particle velocity can be substantially different than the gas phase velocity, especially in the presence of large temperature gradients and large strain rates. Large particles were also found to cross the gas stagnation plane, stagnate, and eventually reverse as a result of the opposing gas phase velocity. It was also shown that the particle number density varies substantially throughout the flowfield, as a result of the straining of the flow and the thermal expansion. Finally, for increased values of the particle number density, substantial flame cooling to extinction states and modification of the gas phase fluid mechanics were observed. As also expected, the effect of gravity was shown to be important for low convective velocities and heavy particles. Under such conditions, simulations indicate that the magnitude and direction of the gravitational force can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature.

Egolfopoulos, Fokion N.↗

Dynamics and Structure of Dusty Reacting Flows: Inert Particles in Strained, Laminar, Premixed Flames

A detailed numerical study was conducted on the dynamics and thermal response of inert spherical particles in strained, laminar, premixed hydrogen/air flames. The modeling included the solution of the steady conservation equations for both the gas and particle phases along and around the stagnation streamline of an opposed-jet configuration, and the use of detailed descriptions of chemical kinetics and molecular transport. For the gas phase, the equations of mass, momentum, energy, and species are considered, while for the particle phase, the model is based on conservation equations of the particle momentum balance in the axial and radial direction, the particle number density, and the particle thermal energy equation. The particle momentum equation includes the forces as induced by drag, thermophoresis, and gravity. The particle thermal energy equation includes the convective/conductive heat exchange between the two phases, as well as radiation emission and absorption by the particle. A one-point continuation method is also included in the code that allows for the description of turning points, typical of ignition and extinction behavior. As expected, results showed that the particle velocity can be substantially different than the gas phase velocity, especially in the presence of large temperature gradients and large strain rates. Large particles were also found to cross the gas stagnation plane, stagnate, and eventually reverse as a result of the opposing gas phase velocity. It was also shown that the particle number density varies substantially throughout the flowfield, as a result of the straining of the flow and the thermal expansion. Finally, for increased values of the particle number density, substantial flame cooling to extinction states and modification of the gas phase fluid mechanics were observed. As also expected, the effect of gravity was shown to be important for low convective velocities and heavy particles. Under such conditions, simulations indicate that the magnitude and direction of the gravitational force can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature.

Egolfopoulos, Fokion N.↗

Agglomeration-Free Distributor for Fluidized Beds

New gas distributor for fluidized beds prevents hot particles from reacting on it and forming hard crust. In reduction of iron ore in fluidized bed, ore particles do not sinter on distributor and perhaps clog it or otherwise interfere with gas flow. Distributor also relatively cool. In fluidized-bed production of silicon, inflowing silane does not decompose until within bed of hot silicon particles and deposits on them. Plates of spiral distributor arranged to direct incoming gas into spiral flow. Turbulence in flow reduces frequency of contact between fluidized-bed particles and distributor.

Ouyang, F.↗

Development and Demonstration of a Computational Tool for the Analysis of Particle Vitiation Effects in Hypersonic Propulsion Test Facilities

In order to improve the understanding of particle vitiation effects in hypersonic propulsion test facilities, a quasi-one dimensional numerical tool was developed to efficiently model reacting particle-gas flows over a wide range of conditions. Features of this code include gas-phase finite-rate kinetics, a global porous-particle combustion model, mass, momentum and energy interactions between phases, and subsonic and supersonic particle drag and heat transfer models. The basic capabilities of this tool were validated against available data or other validated codes. To demonstrate the capabilities of the code a series of computations were performed for a model hypersonic propulsion test facility and scramjet. Parameters studied were simulated flight Mach number, particle size, particle mass fraction and particle material.

Perkins, Hugh Douglas↗

Detailed Studies on the Structure and Dynamics of Reacting Dusty Flows at Normal and Microgravity

Dusty reacting flows are of particular interest for a wide range of applications. Inert particles can alter the flammability and extinction limits of a combustible mixture. Reacting particles can release substantial amount of heat and can be used either for power generation or propulsion. Accumulation of combustible particles in air can result in explosions which, for example, can occur in grain elevators, during lumber milling and in mine galleries. Furthermore, inert particles are used as flow velocity markers in reacting flows, and their velocity is measured by non-intrusive laser diagnostic techniques. Despite their importance, dusty reacting flows have been less studied and understood compared to gas phase as well as sprays. The addition of solid particles in a flowing gas stream can lead to strong couplings between the two phases, which can be of dynamic, thermal, and chemical nature. The dynamic coupling between the two phases is caused by the inertia that causes the phases to move with different velocities. Furthermore, gravitational, thermophoretic, photophoretic, electrophoretic, diffusiophoretic, centrifugal, and magnetic forces can be exerted on the particles. In general, magnetic, electrophoretic, centrifugal, photophoretic, and diffusiophoretic can be neglected. On the other hand, thermophoretic forces, caused by steep temperature gradients, can be important. The gravitational forces are almost always present and can affect the dynamic response of large particles. Understanding and quantifying the chemical coupling between two phases is a challenging task. However, all reacting particles begin this process as inert particles, and they must be heated before they participate in the combustion process. Thus, one must first understand the interactions of inert particles in a combustion environment. The in-detail understanding of the dynamics and structure of dusty flows can be only advanced by considering simple flow geometries such as the opposed-jet, stagnation-type. In such configurations the imposed strain rate is well characterized, and the in-depth understanding of the details of the physico-chemical processes can be systematically obtained. A number of computational and experimental studies on spray and particle flows have been conducted in stagnation-type configurations. Numerically, the need for a hybrid Eulerian-Lagrangian approach has been identified by Continillo and Sirignano, and the use of such approach has allowed for the prediction of the phenomenon of droplet flow reversal. Gomez and Rosner have conducted a detailed study on the particle response in the opposed-jet configuration, and the particle thermophoretic diffusivities were determined experimentally. Sung, Law and co-workers have conducted numerical studies on the effect of strain rate and temperature gradients on the dynamics of inert particles, as a way of understanding potential errors in experimental LDV data that may arise from thermophoretic forces. This investigation is a combined experimental and numerical study on the details of reacting dusty flows. The specific tasks are: (1) Experimental determination of laminar flame speeds, and extinction strain rates of dusty flows at normal- and micro-gravity as functions of the particle type, particle initial diameter, particle initial number density, and gas phase chemical composition; (2) Detailed numerical simulation of the experiments. Results are compared with experiments and the adequacy of theoretical models is assessed; and (3) Provision of enhanced insight into the thermo-chemical coupling between the two phases.

Andac, M. Gurhan↗

A simple method for estimation of coagulation efficiency in mixed aerosols

Aerosols of KBr and AgNO3 were mixed, exposed to light in a glass tube and collected in the dark. About 15% of the collected material was reduced to silver upon development. Thus, two aerosols of particles that react to form a photo-reducible compound can be used to measure coagulation efficiency.

Dimmick, R. L.↗

Development of dispersion-strengthened XD (trademark) Cu alloys for high heat-flux applications

In a previous effort sponsored by NASA LeRC, the XD(trademark) process was used to produce ZrB2 particulate reinforcements in Cu and the resulting extruded material was microstructurally characterized and evaluated in tension over a range of temperatures. A problem that was encountered in that study was microstructural inhomogeneity resulting from the frequent presence of 'ZrB2 agglomerates' that were several microns in size. The presence of these agglomerates was attributed to improper mixing of powders in the green compact used in the XD process for elemental boron powder segregation. In this program, several milling parameters were examined in an effort to optimize this processing step; two levels of ZrB2 reinforcements were considered (7 vol. percent and 15 vol. percent). Microstructures of the reacted powder mass were examined to verify the absence of these agglomerates. Larger bathes of powder were then mixed, reacted, machined to size, canned, and extruded. The microstructure and tensile properties of these extrusions were examined, and the measured properties were correlated with the observed microstructure. Large unreacted or partially reacted Zr particles were present. These particles affected the mechanical properties deleteriously, and their presence is attributed to insufficient heat of reaction during XD synthesis. Alternate processing routes are recommended.

Kumar, K. Sharvan↗

Formulation and Testing of Paraffin-Based Solid Fuels Containing Energetic Additives for Hybrid Rockets

Many approaches have been considered in an effort to improve the regression rate of solid fuels for hybrid rocket applications. One promising method is to use a fuel with a fast burning rate such as paraffin wax; however, additional performance increases to the fuel regression rate are necessary to make the fuel a viable candidate to replace current launch propulsion systems. The addition of energetic and/or nano-sized particles is one way to increase mass-burning rates of the solid fuels and increase the overall performance of the hybrid rocket motor.1,2 Several paraffin-based fuel grains with various energetic additives (e.g., lithium aluminum hydride (LiAlH4) have been cast in an attempt to improve regression rates. There are two major advantages to introducing LiAlH4 additive into the solid fuel matrix: 1) the increased characteristic velocity, 2) decreased dependency of Isp on oxidizer-to-fuel ratio. The testing and characterization of these solid-fuel grains have shown that continued work is necessary to eliminate unburned/unreacted fuel in downstream sections of the test apparatus.3 Changes to the fuel matrix include higher melting point wax and smaller energetic additive particles. The reduction in particle size through various methods can result in more homogeneous grain structure. The higher melting point wax can serve to reduce the melt-layer thickness, allowing the LiAlH4 particles to react closer to the burning surface, thus increasing the heat feedback rate and fuel regression rate. In addition to the formulation of LiAlH4 and paraffin wax solid-fuel grains, liquid additives of triethylaluminum and diisobutylaluminum hydride will be included in this study. Another promising fuel formulation consideration is to incorporate a small percentage of RDX as an additive to paraffin. A novel casting technique will be used by dissolving RDX in a solvent to crystallize the energetic additive. After dissolving the RDX in a solvent chosen for its compatibility with both paraffin and RDX, the mixture will be combined with the melted paraffin. With the melting point of the paraffin far below the decomposition temperature of the RDX, the solvent will be boiled off, leaving the crystallized RDX embedded in the paraffin. At low percentages of RDX additive and with crystallized RDX surrounded by paraffin, the fuel grains will remain inert, maintaining a key benefit of hybrids in the safety of the solid fuel.

Larson, Daniel B.↗

Plume and wake dynamics, mixing, and chemistry behind an HSCT aircraft

The chemical evolution and mixing and vortical motion of a High Speed Civil Transport's engine exhausts must be analyzed in order to track the gas and its speciation as emissions are mixed to atmospheric scales. Attention is presently given to an analytic model of the wake dynamical processes which accounts for the roll-up of the trailing vorticity, its breakup due to the Crow instability, and the subsequent evolution and motion of the reconnected vorticity. The concentrated vorticity is noted to wrap up the buoyant exhaust and suppress its continued mixing and dilution. The species tracked encompass those which could be heterogeneously reactive on the surfaces of the condensed ice particles, and those capable of reacting with exhaust soot particle surfaces to form active contrail and/or cloud condensation nuclei.

Miake-Lye, R. C.↗