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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dedication to James A. Miller

This special memorial issue pays tribute to James (Jim) A. Miller, a giant of combustion science who died in 2021, with a celebration of his enormous influence on the field. We were touched by the responses we received after we sent out the invitations for it. Jim inspired several generations of scientists, who viewed him as a mentor, a father figure, and a friend. Together with Nils Hansen and Peter Glarborg, we have written a detailed account on his life and work. Furthermore, it appeared in this journal shortly after his death; and so here we focus on the scientific areas he had interest in and influence on, and how they relate to the 34 papers in this issue. The topics of these papers span a variety of Jim's interests including nitrogen chemistry, polycyclic aromatic hydrocarbon (PAH) chemistry, oxidation chemistry, energy transfer, prompt dissociations, and codes to facilitate combustion chemistry simulations.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS1990

Chemical reacting flows

Future aerospace propulsion concepts involve the combustion of liquid or gaseous fuels in a highly turbulent internal airstream. Accurate predictive computer codes which can simulate the fluid mechanics, chemistry, and turbulence-combustion interaction of these chemical reacting flows will be a new tool that is needed in the design of these future propulsion concepts. Experimental and code development research is being performed at LeRC to better understand chemical reacting flows with the long-term goal of establishing these reliable computer codes. Our approach to understand chemical reacting flows is to look at separate, more simple parts of this complex phenomenon as well as to study the full turbulent reacting flow process. As a result, we are engaged in research on the fluid mechanics associated with chemical reacting flows. We are also studying the chemistry of fuel-air combustion. Finally, we are investigating the phenomenon of turbulence-combustion interaction. Research, both experimental and analytical, is highlighted in each of these three major areas.

Mularz, Edward J.↗
NASA NTRS1987

Chemical reacting flows

Future aerospace propulsion concepts involve the combination of liquid or gaseous fuels in a highly turbulent internal air stream. Accurate predictive computer codes which can simulate the fluid mechanics, chemistry, and turbulence combustion interaction of these chemical reacting flows will be a new tool that is needed in the design of these future propulsion concepts. Experimental and code development research is being performed at Lewis to better understand chemical reacting flows with the long term goal of establishing these reliable computer codes. The approach to understanding chemical reacting flows is to look at separate simple parts of this complex phenomena as well as to study the full turbulent reacting flow process. As a result research on the fluid mechanics associated with chemical reacting flows was initiated. The chemistry of fuel-air combustion is also being studied. Finally, the phenomena of turbulence-combustion interaction is being investigated. This presentation will highlight research, both experimental and analytical, in each of these three major areas.

Mularz, Edward J.↗
NASA NTRS1993

Mathematical description of complex chemical kinetics and application to CFD modeling codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗
NASA NTRS1993

Mathematical Description of Complex Chemical Kinetics and Application to CFD Modeling Codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗
NASA NTRS1984

Interactive computer modeling of combustion chemistry and coalescence-dispersion modeling of turbulent combustion

An interactive computer code for simulation of a high-intensity turbulent combustor as a single point inhomogeneous stirred reactor was developed from an existing batch processing computer code CDPSR. The interactive CDPSR code was used as a guide for interpretation and direction of DOE-sponsored companion experiments utilizing Xenon tracer with optical laser diagnostic techniques to experimentally determine the appropriate mixing frequency, and for validation of CDPSR as a mixing-chemistry model for a laboratory jet-stirred reactor. The coalescence-dispersion model for finite rate mixing was incorporated into an existing interactive code AVCO-MARK I, to enable simulation of a combustor as a modular array of stirred flow and plug flow elements, each having a prescribed finite mixing frequency, or axial distribution of mixing frequency, as appropriate. Further increase the speed and reliability of the batch kinetics integrator code CREKID was increased by rewriting in vectorized form for execution on a vector or parallel processor, and by incorporating numerical techniques which enhance execution speed by permitting specification of a very low accuracy tolerance.

Pratt, D. T.↗
NASA NTRS2002

Overview of High-Fidelity Modeling Activities in the Numerical Propulsion System Simulations (NPSS) Project

A high-fidelity simulation of a commercial turbofan engine has been created as part of the Numerical Propulsion System Simulation Project. The high-fidelity computer simulation utilizes computer models that were developed at NASA Glenn Research Center in cooperation with turbofan engine manufacturers. The average-passage (APNASA) Navier-Stokes based viscous flow computer code is used to simulate the 3D flow in the compressors and turbines of the advanced commercial turbofan engine. The 3D National Combustion Code (NCC) is used to simulate the flow and chemistry in the advanced aircraft combustor. The APNASA turbomachinery code and the NCC combustor code exchange boundary conditions at the interface planes at the combustor inlet and exit. This computer simulation technique can evaluate engine performance at steady operating conditions. The 3D flow models provide detailed knowledge of the airflow within the fan and compressor, the high and low pressure turbines, and the flow and chemistry within the combustor. The models simulate the performance of the engine at operating conditions that include sea level takeoff and the altitude cruise condition.

Veres, Joseph P.↗
NASA NTRS2011

Assessment of Turbulence-Chemistry Interaction Models in the National Combustion Code (NCC) - Part I

This paper describes the implementations of the linear-eddy model (LEM) and an Eulerian FDF/PDF model in the National Combustion Code (NCC) for the simulation of turbulent combustion. The impacts of these two models, along with the so called laminar chemistry model, are then illustrated via the preliminary results from two combustion systems: a nine-element gas fueled combustor and a single-element liquid fueled combustor.

Wey, Thomas Changju↗
NASA NTRS1990

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Yungster, Shaye↗
NASA NTRS1991

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Yungster, Shaye↗
NASA NTRS1992

A two-phase restricted equilibrium model for combustion of metalized solid propellants

An Eulerian-Lagrangian two-phase approach was adopted to model the multi-phase reacting internal flow in a solid rocket with a metalized propellant. An Eulerian description was used to analyze the motion of the continuous phase which includes the gas as well as the small (micron-sized) particulates, while a Lagrangian description is used for the analysis of the discrete phase which consists of the larger particulates in the motor chamber. The particulates consist of Al and Al2O3 such that the particulate composition is 100 percent Al at injection from the propellant surface with Al2O3 fraction increasing due to combustion along the particle trajectory. An empirical model is used to compute the combustion rate for agglomerates while the continuous phase chemistry is treated using chemical equilibrium. The computer code was used to simulate the reacting flow in a solid rocket motor with an AP/HTPB/Al propellant. The computed results show the existence of an extended combustion zone in the chamber rather than a thin reaction region. The presence of the extended combustion zone results in the chamber flow field and chemical being far from isothermal (as would be predicted by a surface combustion assumption). The temperature in the chamber increases from about 2600 K at the propellant surface to about 3350 K in the core. Similarly the chemical composition and the density of the propellant gas also show spatially non-uniform distribution in the chamber. The analysis developed under the present effort provides a more sophisticated tool for solid rocket internal flow predictions than is presently available, and can be useful in studying apparent anomalies and improving the simple correlations currently in use. The code can be used in the analysis of combustion efficiency, thermal load in the internal insulation, plume radiation, etc.

Sabnis, J. S.↗
NASA NTRS1988

Supersonic combusting flow - A comparison of numerical and experimental results

The flow field of an unconfined coaxial supersonic burner (SSB) was obtained numerically, using a CFD code. The explicit MacCormack algorithm, with point implicit treatment of chemistry source terms, was employed in the CFD code. Combustion of hydrogen and air was simulated by a two-step finite-rate combustion model whereas turbulence was accounted for by a Prandtl mixing length scheme. Boundary conditions and some important features of the numerical scheme were discussed. The qualitative features of the numerical solution were compared with those obtained by regular as well as schlieren photographs. General agreements of the CFD solution and the experimental photographs were observed.

Chitsomboon, T.↗
NASA NTRS1995

Computational study of inlet injection for a Pre-Mixed, Shock-Induced Combustion (PM/SIC) engine

A computational simulation of reacting 2-D and 3-D flowfields in a model inlet section of a Pre-Mixed, Shock-Induced Combustion (PM/SIC) engine concept was performed. LARCK, a multi-dimensional Navier-Stokes code with finite-rate kinetics chemistry developed at NASA LaRC by J.A. White, was adapted for this simulation. The flow conditions in the simulation match those envisioned for the PM/SIC engine experiments currently planned at LaRC. The reacting flowfields were Mach 6.3 freestream air and Mach 2 hydrogen at various pressure and temperature conditions injected through a slot injector at the base of the inlet section. In the PM/SIC engine, fuel is injected at the inlet section upstream of the combustor, and reaction is initiated by the shock wave at the inlet which increases the gas temperature and pressure beyond the kinetic limits for reaction. Many challenges exist prior to establishing shock-controlled combustion as a practical engine concept. These challenges include fuel injection schemes that can provide proper fuel-air mixing without creating large losses in the inlet section, and control of the combustion process so that early ignition or combustion propagation through the inlet boundary layer does not occur. For this project, a parametrics study was carried out to model the fuel injection of hydrogen at different flow conditions. It was found that, as the fuel temperature and pressure were increased, the potential for pre-ignition was high at a short distance downstream of the slot injector. The next stage of this work will investigate injection techniques for enhancing mixing of fuel and air in a manner that prevents or reduces the potential for premature ignition observed numerically.

Gonzalez, D. E.↗
NASA NTRS2020

CFD Predictions of Soot & CO Emissions Generated by a Partially-Fueled 9-Element Lean-Direct Injection Combustor

A study was undertaken to investigate the CO & soot emissions generated by a partially-fueled 9- element LDI (Lean-Direct Injection) combustor configuration operating in the idle range of jet engine conditions. In order to perform the CFD analysis, several existing soot/chemistry models were implemented into the OpenNCC (Open National Combustion Code). The calculations were based on a Reynolds-Averaged Navier Stokes (RANS) simulation with standard k-epsilon turbulence model, a 62- species jet-a/air chemistry, a 2-equation soot model, & a Lagrangian spray solver. A separate transport equation was solved for all individual species involved in jet-a/air combustion. In the test LDI configuration we examined, only five of the nine injectors were fueled with the major pilot injector operating at an equivalence ratio of near one and the other four main injectors operating at an equivalence ratio near 0.55. The calculations helped to identify several reasons behind the soot & CO formation in different regions of the combustor. The predicted results were compared with the reported experimental data on soot mass concentration (SMC) & emissions index of CO (EICO). The experimental results showed that an increase in either T3 and/or F/A ratio lead to a reduction in both EICO & SMC. The predicted results were found to be in reasonable agreement. However, the predicted EICO differed substantially in one test condition associated with higher F/A ratio.

Raju, M. S.↗
NASA NTRS1988

Numerical study of chemically reacting flows using an LU scheme

A new computational fluid dynamic code has been developed for the study of mixing and chemical reactions in the flow fields of ramjets and scramjets. The code employs an implicit finite volume, lower-upper symmetric successive overrelaxation scheme for solving the complete two-dimensional Navier-Stokes equations and species transport equations in a fully-coupled and very efficient manner. The combustion processes are modeled by an 8-species, 14-step finite rate chemistry model whereas turbulence is simulated by a Baldwin-Lomax algebraic model. The validity of the code is demonstrated by comparing the numerical calculations with both experimental data and previous calculations of a cold flow helium injection into a straight channel and premixed hydrogen-air reacting flows in a ramped duct. The code is then used to calculate the mixing and chemical reactions of a hydrogen jet transversely injected into a supersonic airstream. Results are presented describing the flow field, the recirculation regions in front and behind the injector, and the chemical reactions.

Shuen, Jian Shun↗
NASA NTRS1988

Numerical study of chemically reacting flows using an LU scheme

A new computational fluid dynamic code has been developed for the study of mixing and chemical reactions in the flow fields of ramjets and scramjets. The code employs an implicit finite volume, lower-upper symmetric successive overrelaxation scheme for solving the complete two-dimensional Navier-Stokes equations and species transport equations in a fully-coupled and very efficient manner. The combustion processes are modeled by an 8-species, 14-step finite rate chemistry model whereas turbulence is simulated by a Baldwin-Lomax algebraic model. The validity of the code is demonstrated by comparing the numerical calculations with both experimental data and previous calculations of a cold flow helium injection into a straight channel and premixed hydrogen-air reacting flows in a ramped duct. The code is then used to calculate the mixing and chemical reactions of a hydrogen jet transversely injected into a supersonic airstream. Results are presented describing the flow field, the recirculation regions in front and behind the injector, and the chemical reactions.

Shuen, Jian Shun↗
NASA NTRS1989

A numerical study of chemically reacting flow in nozzles

The space station uses small rocket motors, called thrusters, for orientation control. Because of the lack of viable design tools for small rockets, the initial thruster design was basically a very small version of a large rocket motor. Thrust measurements of the initial design were lower than predicted. To improve predictions it was decided to develop a verison of the RPLUS2D reacting flow code for thruster calculations. RPLUS2D employs an implicit finite volume, lower-upper symmetric successive overrelaxation (LU-SSOR) scheme for solving the complete two-dimensional Navier-Stokes equations and species transport equations in a coupled and very efficient manner. The combustion processes are modeled by a 9-species, 18 step finite-rate chemistry model, and the turbulence is simulated by a Baldwin-Lomax algebraic model. The code is extended to handle multiple subsonic inlet conditions where the total mass flow is governed by conditions calculated at the thruster-throat. Results are shown for a thruster design where the overall mixture ratio is hydrogen rich. A calculation of a large area ratio divergent nozzle is also presented.

Vanoverbeke, Thomas J.↗
NASA NTRS1989

A numerical study of chemically reacting flow in nozzles

The Space Station uses small rocket motors, called thrusters, for orientation control. Because of the lack of viable design tools for small rockets, the initial thruster design was basically a very small version of a large rocket motor. Thrust measurements of the initial design were lower than predicted. To improve predictions it was decided to develop a version of the RPLUS2D reacting flow code for thruster calculations. RPLUS2D employs an implicit finite volume, lower-upper symmetric successive overrelaxation (LU-SSOR) scheme for solving the complete two-dimensional Navier-Stokes equations and species transport equations in a coupled and very efficient manner. The combustion processes are modeled by a 9-species, 18 step finite-rate chemistry model, and the turbulence is simulated by a Baldwin-Lomax algebraic model. The code is extended to handle multiple subsonic inlet conditions where the total mass flow is governed by conditions calculated at the thruster-throat. Results are shown for a thruster design where the overall mixture ratio is hydrogen rich. A calculation of a large area ratio divergent nozzle is also presented.

Vanoverbeke, Thomas J.↗