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A study of the ignition processes in a center-hole-fired thermal battery

Description: The ignition processes that take place during activation of a 16 cell, center hole fired thermal battery were examined by monitoring the voltage of each cell during activation. The average rise time of each cell to a voltage of 1.125 V was determined for the LiSi/LiCl-LiBr-LiF/FeS{sub 2} electrochemical system. The effects of heat pellet composition, center hole diameter, and the load on the activation parameters were examined for three different igniters. A large variability in individual cell performance was evident along with cell reversal, depending on the location of the cell in the stack. It was not possible to draw detailed statistical information of the relative ignition sequence due to the intrinsic large scatter in the data.
Date: April 1, 1998
Creator: Guidotti, R.A. & Reinhardt, F.W.
Partner: UNT Libraries Government Documents Department

Combustion of n-heptane in a shock tube and in a stirred reactor: A detailed kinetic modeling study

Description: A detailed chemical kinetic reaction mechanism is used to study the oxidation of n-heptane under several classes of conditions. Experimental results from ignition behind reflected shock waves and in a rapid compression machine were used to develop and validate the reaction mechanism at relatively high temperatures, while data from a continuously stirred tank reactor (cstr) were used to refine the low temperature portions of the reaction mechanism. In addition to the detailed kinetic modeling, a global or lumped kinetic mechanism was used to study the same experimental results. The lumped model was able to identify key reactions and reaction paths that were most sensitive in each experimental regime and provide important guidance for the detailed modeling effort. In each set of experiments, a region of negative temperature coefficient (NTC) was observed. Variation in pressure from 5 to 40 bars were found to change the temperature range over which the NTC region occurred. Both the lumped and detailed kinetic models reproduced the measured results in each type of experiments, including the features of the NTC region, and the specific elementary reactions and reaction paths responsible for this behavior were identified and rate expressions for these reactions were determined.
Date: April 13, 1995
Creator: Gaffuri, P.; Curran, H.J.; Pitz, W.J. & Westbrook, C.K.
Partner: UNT Libraries Government Documents Department


Description: NEA completed the CFD simulations for all NBFZ tests. SRI resumed work on HPBO experiments and conducted preliminary tests using the UCONN impactor. UCONN prepared several samples of char for cross-sectional analysis by SEM and characterization is underway. BU completed the NBFZ char characterization program. CBK model had been implemented into Fluent.
Date: July 25, 2003
Creator: Orsino, Stefano
Partner: UNT Libraries Government Documents Department

Experimental Investigation and High Resolution Simulator of In-Situ Combustion Processes

Description: Accurate simulation of in-situ combustion processes is computationally very challenging because the spatial and temporal scales over which the combustion process takes place are very small. In this current and thirteenth report, we report on our continuing development of a Virtual Kinetic Cell model and our continuing experimental program.
Date: December 31, 2006
Creator: Gerritsen, Margot & Kovscek, Anthony R.
Partner: UNT Libraries Government Documents Department

Experimental Investigation and High Resolution Simulator of In-Situ Combustion Processes

Description: Accurate simulation of in-situ combustion processes is computationally very challenging because the spatial and temporal scales over which the combustion process takes place are very small. In this current and eleventh report, we report on the development of a virtual kinetic cell (VKC) that aids the study of the interaction between kinetics and phase behavior. The VKC also provides an excellent tool for developing and testing specialized solvers for the stiff kinetics encountered in ISC processes.
Date: July 1, 2006
Creator: Gerritsen, Margot & Kovscek, Anthony R.
Partner: UNT Libraries Government Documents Department

Detonation propagation in a high loss configuration

Description: This work presents an experimental study of detonation wave propagation in tubes with inner diameters (ID) comparable to the mixture cell size. Propane-oxygen mixtures were used in two test section tubes with inner diameters of 1.27 mm and 6.35 mm. For both test sections, the initial pressure of stoichiometric mixtures was varied to determine the effect on detonation propagation. For the 6.35 mm tube, the equivalence ratio {phi} (where the mixture was {phi} C{sub 3}H{sub 8} + 50{sub 2}) was also varied. Detonations were found to propagate in mixtures with cell sizes as large as five times the diameter of the tube. However, under these conditions, significant losses were observed, resulting in wave propagation velocities as slow as 40% of the CJ velocity U{sub CJ}. A review of relevant literature is presented, followed by experimental details and data. Observed velocity deficits are predicted using models that account for boundary layer growth inside detonation waves.
Date: January 1, 2009
Creator: Jackson, Scott I & Shepherd, Joseph E
Partner: UNT Libraries Government Documents Department

Non-premixed flame-turbulence interaction in compressible turbulent flow

Description: Nonpremixed turbulent reacting flows are intrinsically difficult to model due to the strong coupling between turbulent motions and reaction. The large amount of heat released by a typical hydrocarbon flame leads to significant modifications of the thermodynamic variables and the molecular transport coefficients and thus alters the fluid dynamics. Additionally, in nonpremixed combustion, the flame has a complex spatial structure. Localized expansions and contractions occur, enhancing the dilatational motions. Therefore, the compressibility of the flow and the heat release are intimately related. However, fundamental studies of the role of compressibility on the scalar mixing and reaction are scarce. In this paper they present results concerning the fundamental aspects of the interaction between non-premixed flame and compressible turbulence.
Date: January 1, 2002
Creator: Livescu, D. (Daniel) & Madnia, C. K.
Partner: UNT Libraries Government Documents Department

Predicting runaway reaction in a solid explosive containing a single crack

Description: Mechanically damaged high explosive (HE) undergoing defiagration has recently been shown capable of generating combustion pressures and flame speeds dramatically in excess of those observed in undamaged HE. Flame penetration of HE cracks large enough to support the reaction zone serves to increase the burning surface area and the rate of gas production. Cracks confine the product gas, elevating the local pressure and reducing the reaction zone thickness such that the flame can enter smaller-width cracks. As the reaction zone decreases sufficiently to enter the smallest cracks, the flame surface area will grow appreciably, rapidly pressurizing the cracks. This runaway of pressure and burning area, termed combustion bootstrapping, can dramatically accelerate the combustion mode and in the most extreme cases may result in deflagration-to-detonation transition [3, 4]. The current study is intended to help predict the conditions required for the onset of reaction runaway in a narrow slot in HE. We review experiments [5] where flames were observed to propagate though a narrow slot (intended to simulate a well-formed crack) in high explosive at velocities up to 10 km/s, reaching pressures in excess of 1 kbar. Pressurization of the slot due to gas-dynamic choking is then used to predict the onset of runaway reaction. This model agrees with experimental pressure measurements of observed reaction runaway in slots.
Date: January 1, 2009
Creator: Jackson, Scott I & Hill, Larry G
Partner: UNT Libraries Government Documents Department

Gas-Phase Molecular Dynamics: High Resolution Spectroscopy and Collision Dynamics of Transient Species

Description: This research is carried out as part of the Gas-Phase Molecular Dynamics program in the Chemistry Department at Brookhaven National Laboratory. High-resolution spectroscopy, augmented by theoretical and computational methods, is used to investigate the structure and collision dynamics of chemical intermediates in the elementary gas-phase reactions involved in combustion chemistry. Applications and methods development are equally important experimental components of this work.
Date: April 3, 2009
Creator: Hall,G.E. & Sears, T.J.
Partner: UNT Libraries Government Documents Department

Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks

Description: This is an annual technical report for the work done over the last year (period ending 9/30/2005) on the project titled ''Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks''. The aim of the project is to develop an efficient chemistry model for combustion simulations. The reduced chemistry model will be developed mathematically without the need of having extensive knowledge of the chemistry involved. To aid in the development of the model, Neural Networks (NN) will be used via a new network topology know as Non-linear Principal Components Analysis (NPCA). We report on the development of a novel procedure to speed up the training of NPCA. The same procedure termed L{sub 2}Boost can be used to increase the order of approximation of the Generalized Regression Neural Network (GRNN). It is pointed out that GRNN is a basic procedure for the emerging mesh free CFD. Also reported is an efficient simple approach of computing the derivatives of GRNN function approximation using complex variables or the Complex Step Method (CSM). The results presented demonstrate the significance of the methods developed and will be useful in many areas of applied science and engineering.
Date: December 1, 2005
Creator: Butuk, Nelson
Partner: UNT Libraries Government Documents Department

Post-crash fuel dispersal

Description: This paper is a brief overview of work over the last several decades in understanding what occurs to jet fuel stored in aircraft fuel tanks on impact with the ground. Fuel dispersal is discussed in terms of the overall crash dynamics process and impact regimes are identified. In a generic sense, the types of flow regimes which can occur are identified and general descriptions of the processes are given. Examples of engineering level tools, both computational and experimental, which have applicability to analyzing the complex environments are presented. Finally, risk based decision is discussed as a quick means of identifying requirements for development of preventative or mitigation strategies, such as further work on the development of an anti-misting agent.
Date: March 1, 1997
Creator: Tieszen, S.R.
Partner: UNT Libraries Government Documents Department

Confined combustion of TNT explosion products in air

Description: Effects of turbulent combustion induced by explosion of a 0.8 kg cylindrical charge of TNT in a 17 m<sup>3</sup> chamber filled with air, are investigated. The detonation wave in the charge transforms the solid explosive (C<sub>7</sub>H<sub>5</sub>N<sub>3</sub>O<sub>6</sub>) to gaseous products, rich (~20% each) in carbon dust and carbon monoxide. The detonation pressure (~210 kb) thereby engendered causes the products to expand rapidly, driving a blast wave into the surrounding air. The interface between the products and air, being essentially unstable as a consequence of strong acceleration to which it is subjected within the blast wave, evolves into a turbulent mixing layer-a process enhanced by shock reflections from the walls. Under such circumstances rapid combustion takes place where the expanded detonation products play the role of fuel. Its dynamic effect is manifested by the experimental measurement of ~3 bar pressure increase in the chamber, in contrast to ~1bar attained by a corresponding TNT explosion in nitrogen. The experiments were modeled as a turbulent combustion in an unmixed system at infinite Reynolds, Peclet and DamkGhler numbers. The CFD solution was obtained by a high-order Godunov scheme using an AMR (Adaptive Mesh Refinement) to trace the turbulent mixing on the computational grid in as much detail as possible. The evolution of the mass fraction of fuel consumed by combustion thus determined exhibited the properties of an exponential decay following a sharp initiation. The results reveal all the dynamic features of the exothermic process of combustion controlled by fluid mechanic transport in a highly turbulent field, in contrast to those elucidated by the conventional reaction-diffusion model.
Date: August 31, 1998
Creator: Chandler, J; Ferguson, R E; Forbes, J; Kuhl, A L; Oppenheim, A K & Spektor, R
Partner: UNT Libraries Government Documents Department

Experimental and theoretical investigation of the product channels of the O + CH{sub 3} reaction

Description: The product channels of the O({sup 3}P)+CH{sub 3} reaction was investigated. In the experimental part, the branching fraction for formaldehyde production (O+CH{sub 3}{r_arrow}H{sub 2}CO+H) was measured at room temperature in a tubular flow reactor coupled to a photoionization mass spectrometer. The reactants (CH{sub 3} and O) were generated homogeneously in the reactor by simultaneous {ital in}{ital situ} 193-nm photolysis of acetone and SO{sub 2}. Formaldehyde yield relative to the methyl radicals consumed (branching fraction) was determined to be 1.0{+-}0.15. In the theoretical part, calculations of the energetics of possible decomposition pathways of the energy-rich methoxy radical initially formed in the O+CH{sub 3} reaction indicate that the dominant channel for decomposition is C-H bond cleavage leading to atomic hydrogen and formaldehyde. A possible, minor, secondary channel is hydrogen migration, followed by O-H bond cleavage, leading to the same final products. No energetically competitive pathways leading to H{sub 2}, HCO, HOC, or CO could be found.
Date: May 1, 1994
Creator: Slagle, I.R.; Kalinovski, I.J.; Gutman, D. & Harding, L.B.
Partner: UNT Libraries Government Documents Department

Theory and modeling in combustion chemistry

Description: This paper discusses four important problems in combustion chemistry. In each case, resolution of the problem focuses on a single elementary reaction. Theoretical analysis of this reaction is discussed in some depth, with emphasis on its unusual features. The four combustion problems and their elementary reactions are: (1) Burning velocities, extinction limits, and flammability limits: H+O{sub 2}{leftrightarrow}OH+O, (2) Prompt NO: CH+N{sub 2}{leftrightarrow}HCN+N, (3) the Thermal De-NO{sub x} Process: NH{sub 2}+NO{leftrightarrow}products, and (4) ``Ring`` formation in flames of aliphatic fuels and the importance of resonantly stabilized free radicals: C{sub 3}H{sub 3}{leftrightarrow}products.
Date: October 1, 1996
Creator: Miller, J.A.
Partner: UNT Libraries Government Documents Department

Lean flammability limit as a fundamental refrigerant property: Phase 2. Interim technical report, 1 April 1995--30 March 1996

Description: The flammability of alternative, non-ozone depleting refrigerants is an issue of growing importance to the air-conditioning and refrigeration industry. Test methods developed decades ago are being stretched to their limits when measuring the combustion behavior of weakly flammable refrigerants. This work is Phase 2 of a three part project to determine the feasibility, accuracy, and applicability of a premixed opposed-flow burner as an alternative means of measuring lean flammability limits. In this work, the Phase 2 burner demonstrates the precision available to the opposed-flow technique for evaluating the lean flammability limit of weak fuels. Using opposed, converging nozzles, two jets support a premixed twin flame at different global strain rates and permit evaluation of the corresponding fuel concentration at the extinction point. Comparisons with published data support that the LFL{sub 0}, a lean flammability limit value defined by the extrapolation of the extinction conditions to zero global strain, yields a consistent value. Using a computer simulation to analyze the uncertainty, the lean flammability limit of refrigerants in dry air is found. Concurrent computational modeling of the combustion of refrigerants in air, individually and in mixtures has been performed with the chemical kinetics code CHEMKIN. Estimates of the impact of the initial conditions (equivalence ratio, fuel composition, temperature, and relative humidity) on the magnitude of the laminar flame speed of a zero strain flame are made.
Date: April 30, 1996
Creator: Womeldorf, C. & Grosshandler, W.
Partner: UNT Libraries Government Documents Department

Theoretical studies of combustion dynamics. Final progress report, August 1, 1986--July 31, 1997

Description: The authors completed a number of projects during this period of time. This resulted in fifty nine publications, which are listed below. The major thrusts of this research are the development and application of quantum methods to the study of fundamental chemical processes of importance in gas-phase combustion. Broadly speaking the work falls into two categories. One is the development and application of reduced dimensionality theories of chemical reactions, and the other into studies of radical-radical reactions that proceed mainly via complex formation. The various projects in these two areas and their intersection are reviewed.
Date: March 1, 1998
Creator: Bowman, J.M.
Partner: UNT Libraries Government Documents Department

Ignition dynamics of high explosives

Description: Mechanical insults of granular high explosives (HE) can result in localized areas of elevated temperature, or hot spots. The evolution of these hot spots is a central issue of HE science. Because of the complexity involved, it is worthwhile to study mechanical and reaction processes in isolation. Mechanical processes are isolated and studied using inert materials or weak insults where reaction may be minimal. Likewise, purely thermal processes can be considered to isolate HE reaction response. In this work the authors study the radiant ignition of various HEs of interest, including HMX (C{sub 4}H{sub 8}N{sub 8}O{sub 8}), PBX 9501 (95% HMX, 2.5% Estane, 2.5% BDNPA/BDNPF), RDX (C{sub 3}H{sub 6}N{sub 6}O{sub 6}), TATB (C{sub 6}H{sub 6}N{sub 6}O{sub 6}), and PBX 9502 (95% TATB, 5% Kel-F) and aged PBX 9502. Initial work has included unconfined samples at ambient pressure in air. Diagnostics have included photodiodes to record first light emission, high speed photography, microthermocouple and IR emission measurement to obtain surface temperature, IR emission of gases above the pellet, and a novel nonlinear optical technique to characterize the dynamic {beta}-{delta} solid phase transformation and the formation of a liquid layer. The authors find that ignition delays at various power levels is very similar for HMX and RDX; except that the minimum radiant flux needed for RDX ignition is higher. The addition of only 5% binder (PBX 9501) causes significantly longer ignition delays at lower heat fluxes compared with HMX alone. TATB and TATB-based explosives exhibit much longer ignition delays than HMX. In contrast to HMX, however, no measurable difference is observed in TATB by the addition of a binder (PBX 9502, aged or pristine).
Date: December 31, 1998
Creator: Ali, A.N.; Son, S.F.; Sander, R.K. & Asay, B.W.
Partner: UNT Libraries Government Documents Department

Issues in Numerical Simulation of Fire Suppression

Description: This paper outlines general physical and computational issues associated with performing numerical simulation of fire suppression. Fire suppression encompasses a broad range of chemistry and physics over a large range of time and length scales. The authors discuss the dominant physical/chemical processes important to fire suppression that must be captured by a fire suppression model to be of engineering usefulness. First-principles solutions are not possible due to computational limitations, even with the new generation of tera-flop computers. A basic strategy combining computational fluid dynamics (CFD) simulation techniques with sub-grid model approximations for processes that have length scales unresolvable by gridding is presented.
Date: April 12, 1999
Creator: Tieszen, S.R. & Lopez, A.R.
Partner: UNT Libraries Government Documents Department

Char particle fragmentation and its effect on unburned carbon during pulverized coal combustion. Final report, March 20, 1997

Description: This document is the final report of work on a project concerned with the fragmentation of char particles during pulverized coal combustion that was conducted at the High Temperature Gasdynamics Laboratory at Stanford University, Stanford, California. The project is intended to satisfy, in part, PETC`s research efforts to understand the chemical and physical processes that govern coal combustion. The overall objectives of the project were: (1) to characterize the fragmentation events as a function of combustion environment, (2) to characterize fragmentation with respect to particle porosity and mineral loadings, (3) to assess overall mass loss rates with respect to particle fragmentation, and (4) to quantify the impact of fragmentation on unburned carbon in ash. The knowledge obtained during the course of this project can be used to predict accurately the overall mass loss rates of coals based on both the physical and chemical characteristics of their chars. The work provides a means of assessing reasons for unburned carbon in the ash of coal fired boilers and furnaces.
Date: December 31, 1997
Creator: Mitchell, R.E.
Partner: UNT Libraries Government Documents Department

Rate constants for H{sub 2}CO + O{sub 2} {yields} HCO + HO{sub 2} at high temperature

Description: The reaction between H{sub 2}CO and O{sub 2} has been studied in a reflected shock tube apparatus between 1633--2027 K using trioxane, (H{sub 2}CO){sub 3}, as the source of H{sub 2}CO. O-atom atomic resonance absorption spectrometry (ARAS) was used to observe absolute [O]{sub t} under conditions of low [H{sub 2}CO]{sub 0} so that most secondary reactions were negligible. Hence, the observed [O]{sub t} was the direct result of the rate controlling reaction between H{sub 2}CO and O{sub 2}. Ab initio theoretical results indicated that the process, H{sub 2}CO + O{sub 2} {yields} HCO + HO{sub 2}, is the only possible reaction. After rapid HCO and HO{sub 2} dissociations, O-atoms are then instantaneously produced from H + O{sub 2} {yields} O + OH. Using the ab initio result, variational transition state theoretical calculations (CTST) give k{sub 1} = 4.4929 x 10{sup {minus}20} T{sup 2.9116} exp{minus}18692/T cm{sup 3} molecule{sup {minus}1} S{sup {minus}1}. This theoretical result is consistent with the present experimental determinations and those at lower temperatures.
Date: January 5, 2000
Creator: Michael, J. V.; Su, M.-C.; Sutherland, J. W.; Fang, D.-C.; Harding, L. B. & Wagner, A. F.
Partner: UNT Libraries Government Documents Department

Pulsating hydrodynamic instability and thermal coupling in an extended Landau/Levich model of liquid-propellant combustion. 2. Viscous analysis

Description: A pulsating form of hydrodynamic instability has recently been shown to arise during liquid-propellant deflagration in those parameter regimes where the pressure-dependent burning rate is characterized by a negative pressure sensitivity. This type of instability can coexist with the classical cellular, or Landau, form of hydrodynamic instability, with the occurrence of either dependent on whether the pressure sensitivity is sufficiently large or small in magnitude. For the inviscid problem, it has been shown that when the burning rate is realistically allowed to depend on temperature as well as pressure, that sufficiently large values of the temperature sensitivity relative to the pressure sensitivity causes the pulsating form of hydrodynamic instability to become dominant. In that regime, steady, planar burning becomes intrinsically unstable to pulsating disturbances whose wavenumbers are sufficiently small. In the present work, this analysis is extended to the fully viscous case, where it is shown that although viscosity is stabilizing for intermediate and larger wavenumber perturbations, the intrinsic pulsating instability for small wavenumbers remains. Under these conditions, liquid-propellant combustion is predicted to be characterized by large unsteady cells along the liquid/gas interface.
Date: January 1, 2000
Creator: Margolis, Stephen B.
Partner: UNT Libraries Government Documents Department

Effects of flow transients on the burning velocity of hydrogen-air premixed flames

Description: The effects of unsteady strain rate on the burning velocity of hydrogen-air premixed flames are studied in an opposed nozzle configuration. The numerical method employs adaptive time integration of a system of differential-algebraic equations. Detailed hydrogen-air kinetic mechanism and transport properties are considered. The equivalence ratio is varied from lean to rich premixtures in order to change the effective Lewis number. Steady Markstein numbers for small strain rate are computed and compared with experiment. Different definitions of flame burning velocity are examined under steady and unsteady flow conditions. It is found that, as the unsteady frequency increases, large deviations between different flame speeds are noted depending on the location of the flame speed evaluation. Unsteady flame response is investigated in terms of the Markstein transfer function which depends on the frequency of oscillation. In most cases, the flame speed variation attenuates at higher frequencies, as the unsteady frequency becomes comparable to the inverse of the characteristic flame time. Furthermore, unique resonance-like behavior is observed for a range of rich mixture conditions, consistent with previous studies with linearized theory.
Date: July 30, 2000
Creator: Im, H. G. & Chen, J. H.
Partner: UNT Libraries Government Documents Department

Triple flame structure and dynamics at the stabilization point of a lifted jet diffusion flame

Description: A coupled Lagrangian-Eulerian low-Mach-number numerical scheme is developed, using the vortex method for the momentum equations, and a finite difference approach with adaptive mesh refinement for the scalar conservation equations. The scheme is used to study the structure and dynamics of a forced lifted buoyant planar jet flame. Outer buoyant structures, driven by baroclinic vorticity generation, are observed. The flame base is found to stabilize in a region where flow velocities are sufficiently small to allow its existence. A triple flame is observed at the flame base, a result of premixing of fuel and oxidizer upstream of the ignition point. The structure and dynamics of the triple flame, and its modulation by jet vortex structures, are studied. The spatial extent of the triple flame is small, such that it fits wholly within the rounded flame base temperature field. The dilatation rate field outlines the edge of the hot fluid at the flame base. Neither the temperature field nor the dilatation rate field seem appropriate for experimental measurement of the triple flame in this flow.
Date: March 1, 1998
Creator: Najm, H.N.; Milne, R.B.; Devine, K.D. & Kempka, S.N.
Partner: UNT Libraries Government Documents Department

On the development of a subgrid CFD model for fire extinguishment

Description: A subgrid model is presented for use in CFD fire simulations to account for thermal suppressants and strain. The extinguishment criteria is based on the ratio of a local fluid-mechanics time-scale to a local chemical time-scale compared to an empirically-determined critical Damkohler number. Local extinction occurs if this time scale is exceeded, global fire extinguishment occurs when local extinction has occurred for all combusting cells. The fluid mechanics time scale is based on the Kolmogorov time scale and the chemical time scale is based on blowout of a perfectly stirred reactor. The input to the reactor is based on cell averaged temperatures, assumed stoichiometric fuel/air composition, and cell averaged suppressant concentrations including combustion products. A detailed chemical mechanism is employed. The chemical time-scale is precalculated and mixing rules are used to reduce the composition space that must be parameterized. Comparisons with experimental data for fire extinguishment in a flame-stabilizing, backward-facing step geometry indicates that the model is conservative for this condition.
Date: February 2, 2000
Partner: UNT Libraries Government Documents Department