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Methods utilize mathematical equations and models and specialized computer techniques. Techniques apply to food production, complex chemicals production, and polluted water purification.
A computational model is employed to study the reacting flow within the engine and near-field plumes of several small gaseous hydrogen-oxygen thrusters. The model solves the full Navier-Stokes equations coupled with species diffusion equations for a hydrogen-oxygen reaction kinetics system and includes a two-equation q-omega model for turbulence. Predictions of global performance parameters and localized flowfield variables are compared with experimental data in order to assess the accuracy with which these flowfields are modeled and to identify aspects of the model which require improvement. Predicted axial and radial velocities 3 mm downstream of the exit plane show reasonable agreement with the measurements. The predicted peak in axial velocity in the hydrogen film coolant along the nozzle wall shows the best agreement; however, predictions within the core region are roughly 15 percent below measured values, indicating an underprediction of the extent to which the hydrogen diffuses and mixes with the core flow. There is evidence that this is due to three-dimensional mixing processes which are not included in the axisymmetric model.
The stiff ordinary differential equation solution methods more commonly used for chemical kinetics problems are examined, and the efficiency and accuracy of several of the methods are compared by applying them to two combustion kinetics problems. The local sensitivity analysis methods developed to date are outlined, and their advantages and difficulties are briefly discussed. Examples are used to make comparisons among the different techniques.
A near-wall two-equation turbulence model of the K - epsilon type is developed for the description of high-speed compressible flows. The Favre-averaged equations of motion are solved in conjunction with modeled transport equations for the turbulent kinetic energy and solenoidal dissipation wherein a variable density extension of the asymptotically consistent near-wall model of So and co-workers is supplemented with new dilatational models. The resulting compressible two-equation model is tested in the supersonic flat plate boundary layer - with an adiabatic wall and with wall cooling - for Mach numbers as large as 10. Direct comparisons of the predictions of the new model with raw experimental data and with results from the K - omega model indicate that it performs well for a wide range of Mach numbers. The surprising finding is that the Morkovin hypothesis, where turbulent dilatational terms are neglected, works well at high Mach numbers, provided that the near wall model is asymptotically consistent. Instances where the model predictions deviate from the experiments appear to be attributable to the assumption of constant turbulent Prandtl number - a deficiency that will be addressed in a future paper.
A near-wall two-equation turbulence model of the k-epsilon type is developed for the description of high-speed compressible flows. The Favre-averaged equations of motion are solved in conjunction with modeled transport equations for the turbulent kinetic energy and solenoidal dissipation wherein a variable density extension of the asymptotically consistent near-wall model of So and co-workers is supplemented with new dilatational models. The resulting compressible two-equation model is tested in the supersonic flat plate boundary layer - with an adiabatic wall and with wall cooling - for Mach numbers as large as 10. Direct comparisons of the predictions of the new model with raw experimental data and with results from the K-omega model indicate that it performs well for a wide range of Mach numbers. The surprising finding is that the Morkovin hypothesis, where turbulent dilatational terms are neglected, works well at high Mach numbers, provided that the near wall model is asymptotically consistent. Instances where the model predictions deviate from the experiments appear to be attributable to the assumption of constant turbulent Prandtl number - a deficiency that will be addressed in a future paper.
Statistical mechanics theory for gas transport phenomena, obtaining Enskog equation from generalization of Boltzmann equation approximation of Liouville equation
The implementation of the k-kL turbulence model using multiple computational uid dy- namics (CFD) codes is reported herein. The k-kL model is a two-equation turbulence model based on Abdol-Hamid's closure and Menter's modi cation to Rotta's two-equation model. Rotta shows that a reliable transport equation can be formed from the turbulent length scale L, and the turbulent kinetic energy k. Rotta's equation is well suited for term-by-term mod- eling and displays useful features compared to other two-equation models. An important di erence is that this formulation leads to the inclusion of higher-order velocity derivatives in the source terms of the scale equations. This can enhance the ability of the Reynolds- averaged Navier-Stokes (RANS) solvers to simulate unsteady ows. The present report documents the formulation of the model as implemented in the CFD codes Fun3D and CFL3D. Methodology, veri cation and validation examples are shown. Attached and sepa- rated ow cases are documented and compared with experimental data. The results show generally very good comparisons with canonical and experimental data, as well as matching results code-to-code. The results from this formulation are similar or better than results using the SST turbulence model.
Corrosion of SAE 310 stainless steel in H2-H2O-H2S gas mixtures was studied at a constant temperature of 1150 K. Reactive gas mixtures were chosen to yield a constant oxygen potential of approximately 6 x 10 to the minus 13th power/cu Nm and sulfur potentials ranging from 0.19 x 10 to the minus 2nd power/cu Nm to 33 x 10 to the minus 2nd power/cu Nm. The kinetics of corrosion were determined using a thermobalance, and the scales were analyzed using metallography, scanning electron microscopy, and energy dispersive X-ray analysis. Two corrosion regimes, which were dependent on sulfur potential, were identified. At high sulfur potentials (p sub S sub 2 less than or equal to 2.7 x 10 to the minus 2nd power/cu Nm) the corrosion rates were high, the kinetics obeyed a linear rate equation, and the scales consisted mainly of sulfide phases similar to those observed from pure sulfication. At low sulfur potentials (P sub S sub 2 less than or equal to 0.19 x 10 to the minus 2nd power/cu Nm) the corrosion rates were low, the kinetics obeyed a parabolic rate equation, and scales consisted mainly of oxide phases.
We study the conditions which lead to the conversion of most Poynting flux into kinetic energy flux in cold, relativistic hydromagnetic winds. It is shown that plasma acceleration along a precisely radial flow is extremely inefficient due to the near cancellation of the toroidal magnetic pressure and tension forces. However, if the flux tubes in a flow diverge even slightly faster than radially, the fast magnetosonic point moves inward from infinity to a few times the light cylinder radius. Once the flow becomes supermagnetosonic, further divergence of the flux tubes beyond the fast point can accelerate the flow via the 'magnetic nozzle' effect, thereby further converting Poynting flux to kinetic energy flux. We show that the Grad-Shafranov equation admits a generic family of kinetic energy-dominated asymptotic wind solutions with finite total magnetic flux. The Poynting flux in these solutions vanishes logarithmically with distance. The way in which the flux surfaces are nested within the flow depends only on the ratio of angular velocity to poliodal 4-velocity as a function of magnetic flux. Radial variations in flow structure can be expressed in terms of a pressure boundary condition on the outermost flux surface, provided that no external toriodal field surrounds the flow. For a special case, we show explicitly how the flux surfaces merge gradually to their asymptotes. For flows confined by an external medium of pressure decreasing to zero at infinity we show that, depending on how fast the ambient pressure declines, the final flow state could be either a collimated jet or a wind that fills the entire space. We discuss the astrophysical implications of our results for jets from active galactic nuclei and for free pulsar winds such as that believed to power the Crab Nebula.
Reconnection is the most important process driving the Earth's magnetosphere. Key to the success of the MMS science plan is the coupling of theory and observation. Determining the kinetic processes occurring in the diffusion region and physical parameters that control the rate of magnetic reconnection are among primary objectives of the MMS mission. Analysis of the role played by particle inertial effects in the diffusion region where the plasma is unmagnetized will be presented. The reconnection electric field in he diffusion region is supported primarily by particle non-gyrotropic effects. At the quasi-steady stage the reconnection electric field serves to accelerate and heat the incoming plasma population to maintain the current flow in the diffusion region the pressure balance. The primary mechanism controlling the dissipation in the vicinity of the reconnection site is incorporated into the fluid description in terms of non-gyrotropic corrections to the. induction and energy equations. The results of kinetic and fluid simulations illustrating the physics of magnetic reconnection will be presented. We will dem~:tistrate that kinetic nongyrotropic effects can significantly alter the global magnetosphere evolution and location of reconnection sites.
Detached-eddy simulation (DES) based on the v(sup 2)-f Reynolds-averaged Navier-Stokes (RANS) model is developed and tested. The v(sup 2)-f model incorporates the anisotropy of near-wall turbulence which is absent in other RANS models commonly used in the DES community. The v(sup 2)-f RANS model is modified in order the proposed v(sup 2)-f-based DES formulation reduces to a transport equation for the subgrid-scale kinetic energy isotropic turbulence. First, three coefficients in the elliptic relaxation equation are modified, which is tested in channel flows with friction Reynolds number up to 2000. Then, the proposed v(sup 2)-f DES model formulation is derived. The constant, C(sub DES), required in the DES formulation was calibrated by simulating both decaying and statistically-steady isotropic turbulence. After C(sub DES) was calibrated, the v(sub 2)-f DES formulation is tested for flow around a circular cylinder at a Reynolds number of 3900, in which case turbulence develops after separation. Simulations indicate that this model represents the turbulent wake nearly as accurately as the dynamic Smagorinsky model. Spalart-Allmaras-based DES is also included in the cylinder flow simulation for comparison.
The Euler code is used extensively for computation of transonic unsteady aerodynamics. The boundary layer code solves the 3-D, compressible, unsteady, mean flow kinetic energy integral boundary layer equations in the direct mode. Inviscid-viscous coupling is handled using porosity boundary conditions. Some of the advantages and disadvantages of using the Euler and boundary layer equations for investigating unsteady viscous-inviscid interaction is examined.
The lattice Boltzmann equation (LBE) is a kinetic formulation which offers an alternative computational method capable of solving fluid dynamics for various systems. Major advantages of the method are owing to the fact that the solution for the particle distribution functions is explicit, easy to implement, and the algorithm is natural to parallelize. In this final report, we summarize the works accomplished in the past three years. Since most works have been published, the technical details can be found in the literature. Brief summary will be provided in this report. In this project, a second-order accurate treatment of boundary condition in the LBE method is developed for a curved boundary and tested successfully in various 2-D and 3-D configurations. To evaluate the aerodynamic force on a body in the context of LBE method, several force evaluation schemes have been investigated. A simple momentum exchange method is shown to give reliable and accurate values for the force on a body in both 2-D and 3-D cases. Various 3-D LBE models have been assessed in terms of efficiency, accuracy, and robustness. In general, accurate 3-D results can be obtained using LBE methods. The 3-D 19-bit model is found to be the best one among the 15-bit, 19-bit, and 27-bit LBE models. To achieve desired grid resolution and to accommodate the far field boundary conditions in aerodynamics computations, a multi-block LBE method is developed by dividing the flow field into various blocks each having constant lattice spacing. Substantial contribution to the LBE method is also made through the development of a new, generalized lattice Boltzmann equation constructed in the moment space in order to improve the computational stability, detailed theoretical analysis on the stability, dispersion, and dissipation characteristics of the LBE method, and computational studies of high Reynolds number flows with singular gradients. Finally, a finite difference-based lattice Boltzmann method is developed for inviscid compressible flows.
A simple, rational approach is presented for developing continuum models for large repetitive beam-like and plate-like lattices with arbitrary configurations subjected to static, thermal and dynamic loadings. The continuum models for these structures are shear flexible beams and plates. They account for local effects in the repeating element of the actual structure and are characterized by their thermoelastic strain and kinetic energies from which the equations of motion and constitutive relations can be derived. The procedure for developing the expressions for thermoelastic strain and kinetic energies of the continuum involves introducing basic assumptions regarding the variation of the temperature, displacement and strain components in one or two directions (for plate-like and beam-like lattices) and obtaining effective thermoelastic and dynamic coefficients of the continuum in terms of material properties and geometry of the original lattice structure. The high accuracy of the continuum models developed is demonstrated by means of numerical examples.
A fully second-order closure model for turbulent reacting flows is suggested based on Favre statistics. For diffusion flames the local thermodynamic state is related to single conserved scalar. The properties of pressure fluctuations are analyzed for turbulent flows with fluctuating density. Closure models for pressure correlations are discussed and modeled transport equations for Reynolds stresses, turbulent kinetic energy dissipation, density-velocity correlations, scalar moments and dissipation are presented and solved, together with the mean equations for momentum and mixture fraction. Solutions of these equations are compared with the experimental data for high heat release free mixing layers of fluorine and hydrogen in a nitrogen diluent.
A fully second-order closure model for turbulent reacting flows is suggested based on Favre statistics. For diffusion flames the local thermodynamic state is related to a single conserved scalar. The properties of pressure fluctuations are analyzed for turbulent flows with fluctuating density. Closure models for pressure correlations are discussed and modelled transport equations for Reynolds stresses, turbulent kinetic energy dissipation, density-velocity correlations, scalar moments and dissipation are presented and solved, together with the mean equations for momentum and mixture fraction. Solutions of these equations are compared with the experimental data for high heat release free mixing layers of fluorine and hydrogen in a nitrogen diluent.
Rate constant estimates accuracy assessed for differential equations in connection with kinetics of enzymatic reaction
Kinetic theory development of equations for multicomponent gaseous mixtures symmetric diffusion coefficients