AN ADAPTIVE FINITE ELEMENT METHOD WITH DYNAMIC LES FOR TURBULENT REACTIVE FLOWS
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Fluorinated gases are critical to a number of high-technology industries including semiconductor manufacturing and related processes such as flat panel display, LED, and photovoltaic manufacturing. These fluorinated gases have very high global warming potentials (GWPs) and, unfortunately are chemically very stable, in some cases lasting for thousands of years in the atmosphere. For environmental reasons, it is imperative that the release of these gases be minimized, but existing methods to destroy them requires a significant amount of energy. The goal of this project was to develop a more energy efficient method of destroying these high GWP gases using computational fluid dynamics, but the computational requirements are significant. In this project, we bring together resources available at the national labs, including high-performance computing hardware and modern computational methods, in order to explore an industrially important problem with key environmental and economic impact. In this project, we examined the state-of-the-art models for the physical processes involved, and made subtle changes to arrive at alternative formulations considerably better suited for computation and study. We examined several representative scenarios and developed a set of analyses techniques and tools that could be used to explore the systems in much greater detail. This exploratory project has demonstrated to ALZETA that HPC can indeed provide a unique view into their complex engineering problem - one that is simply inaccessible by any other means. The tools allow us to explore the details of the chemical process, and allow one to construct "what-if" scenarios to address shortcomings of the physical device in its current operating modes. However, as with many sources of completely new information, many new questions are illuminated with this capability. It will take considerable time, effort and experience before we learn to probe the solutions, pose operating scenarios and confirm modifications to the device that lead to real engineering advances.
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A simple model of compressible reacting flow is studied. First, a dispersion relation is derived for the linearized problem making a distinction between frozen and equilibrium sound speed. Second, the stability of the Von Neumann-Richtmyer scheme applied to this model is studied. A natural generalization of the C.F.L. condition is found.
Capabilities of several computational schemes combined and enhanced. Advanced Rocket Injector-Combustor Code is computer program for numerical simulation of two-phase flows of chemically reacting or nonreacting components. Applied to sprays of fuel in injectors and combustors, flows in heat exchangers, evaporators, and mass-diffusion systems; and two-dimensional or axisymmetric flows containing liquid or solid suspensions. Used in research for development and verification of various physical models.
A hypersonic flow simulation methodology is developed for analyzing thermochemical nonequilibrium and viscous phenomena associated with space-flight vehicles at realistic conditions. The computer code consists of grid generation, Navier-Stokes and species models, and equation solvers for a complete configuration at arbitrary angles of attack. Provisions are implemented in the code to consider chemically frozen or equilibrium chemistry, inviscid model, conic configurations and simplifications of physical parameters for verifying solution consistency and accuracy. Implications of physical modeling and input parameters on a blunt-cone flow are investigated in details. Applications to USA Orbiter-like vehicles have emphasized the leeside canopy flow as well as the bow-wing shock interaction problem at Mach 22 and 40 deg angle of attack. Comparison of windward centerline pressures and heating rates with available wind-tunnel and flight data is in progress.
The current computational methods for solving transport equations of turbulent reacting single-phase flows are critically reviewed, with primary attention given to those methods that lead to model-free simulations. In particular, consideration is given to direct numerical simulations using spectral (Galerkin) and pseudospectral (collocation) methods, spectral element methods, and Lagrangian methods. The discussion also covers large eddy simulations and turbulence modeling.
Recent work has been done with the goal of establishing ultralow emission aircraft gas turbine combustors. A significant portion of the effort is the development of three dimensional computational combustor models. The KIVA-II computer code which is based on the Implicit Continuous Eulerian Difference mesh Arbitrary Lagrangian Eulerian (ICED-ALE) numerical scheme is one of the codes selected by NASA to achieve these goals. This report involves a simulation of jet injection through slanted slots within the Rich burn/Quick quench/Lean burn (RQL) baseline experimental rig. The RQL combustor distinguishes three regions of combustion. This work specifically focuses on modeling the quick quench mixer region in which secondary injection air is introduced radially through 12 equally spaced slots around the mixer circumference. Steady state solutions are achieved with modifications to the KIVA-II program. Work currently underway will evaluate thermal mixing as a function of injection air velocity and angle of inclination of the slots.
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An investigation of surface area production is conducted for supercritical mixing layers; the results are relevant to flame area evolution and fluid disintegration. In this study, the surface is chosen perpendicular to the mass fraction gradient.
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