Finite rate chemistry for USA-series codes - Formulation and applications

Palaniswamy, S.; Chakravarthy, Sukumar; Ota, Dale K.

doi:10.2514/6.1989-200

Cited by 27 publications

(9 citation statements)

References 7 publications

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“…The thermal and chemical nonequilibrium model is the one proposed by Grossman and Cinnella. 4 Similar to the codes described by Palaniswamy, Chakravarthy, and Ota, 6 and Hoffman, 7 memory allocation is performed dynamically. Through the input deck, the user can select the accuracy of the spatial approximation, the flux split scheme, the type of limiter, the time integration scheme (currently, this includes m-stage RungeKutta, hybrid AF/relaxation, and LU/relaxation with various options; e.g., frozen Jacobians), the boundary conditions, the dimensionality of the problem (two-dimensional, axisymmetric, or three-dimensional) along with other input options.…”

Section: Introductionmentioning

confidence: 99%

“…Candler, 1 ' 2 Liu and Vinokur, 3 Grossman and Cinnella, 4 and Wada et al 5 are among those authors who have dealt with both thermal and chemical nonequilibrium flows, and several investigators have developed computer codes with the capability for simulating portions of this wide range of flight conditions. 6 " 11 The purpose of this paper is to present a unified formulation for solving the three-dimensional Navier-Stokes equations in generalized coordinates, when arbitrary mixtures of thermally perfect gases are considered and allowed to be in any local thermochemical state, namely full nonequilibrium, chemical nonequilibrium, chemical equilibrium, or frozen. Consequently, the whole flight envelope of a typical hypersonic vehicle can be efficiently studied using only one code.…”

Section: Introductionmentioning

confidence: 99%

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Characteristic-based algorithms for flows in thermochemical nonequilibrium

et al. 1992

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Novel numerical techniques based upon Steger-Warming, Van Leer, and Roe-type flux splittings are presented in three-dimensional generalized coordinates for the Navier-Stokes equations governing flows out of chemical and thermal equilibrium. Attention is placed on convergence to steady-state solutions with fully coupled chemistry. Time integration schemes including explicit m-stage Runge-Kutta, implicit approximate-factorization, relaxation, and LU decomposition are investigated and compared in terms of residual reduction per unit of CPU time. Practical issues such as code vectorization and memory usage on modern supercomputers are discussed.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Characteristic-based algorithms for flows in thermochemical nonequilibrium

et al. 1992

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“…For 0 < T * ≤ 1.2, the noble gas collision integrals (1,1) * and (2,2) * depend only on T * and C * 6 and are given by 11 (1,1) * = 1.1874 C * 6 T * 1 3 1 + a 1 (T * ) 1 3 + a 2 (T * ) 2 3 + a 3 (T * ) + a 4 (T * ) 4 3 + a 5 (T * ) 5 3 + a 6 (T * ) 2 (A1a) (2,2) * = 1.1943 C * 6 T * where z = ln(T * ).…”

Section: Appendix: Noble and Molecular Collision Integralsmentioning

confidence: 99%

Transport Properties for the Chemical Oxygen-Iodine Laser

Copeland

2005

Journal of Thermophysics and Heat Transfer

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Transport models for computing the diffusivity, viscosity, and thermal conductivity of mixtures over a broad range of temperatures of interest to chemical oxygen-iodine lasers are presented. The individual species transport models are based on the corresponding states correlations for the rare gases and several non-or weakly polar polyatomic molecules developed by Mason, Kestin, and coworkers and extended by Paul to treat strongly polar molecules and the Thijsse expression for conductivity. New polynomial extensions for the molecular collision integrals to allow their computation for 0 < T * < -1 are developed. The potential and molecular parameters for the atomic and diatomic halogens are derived from viscosity data if available, estimated using the Tang-Toennies potential model and the Cambi potential parameter correlations, or obtained from the literature as appropriate.Results are compared to both experimental and theoretical data when available, and good agreement is obtained. Binary interaction potential parameters with which to compute the mixture viscosity and conductivity using the Chapman-Enskog theory are presented for 14 species. New approximate mixture rules that use only the pure species properties are also discussed. Parametric representations of the species viscosities and conductivities are provided for temperatures ranging from 50 to 1000 K. NomenclatureA * , B * , C * , E * = collision integral ratios, dimensionless a = effective rigid-core diameters,Å a 0 = Bohr radius, 0.529177Å C = internal contribution to the molar specific heat, erg/mol · K C P = molar specific heat at constant pressure, erg/mol · K C spn = empirical spin-polarization coefficient, dimensionless C V = molar specific heat at constant volume, erg/mol · K C 2n = long-range dispersion coefficients, erg · cm 2n C * 2n = reduced long-range dispersion coefficientsparametric fit coefficients D = binary mass or internal energy diffusion coefficient, cm 2 /s d = number of rotational degrees of freedom, dimensionless F, G, H = symmetric, positive definite matrix describing mixture transport properties f i j , f η , f λ = Kihara binary mass diffusion, viscosity, and conductivity correction factor, dimensionless g = quantum mechanical summation in the rotational exchange corrections, dimensionless h = Planck constant, h/2π , 1.054592 × 10 −27 erg · s I = rotational moment of inertia, g · cm 2 = number of molecular bond and nonbond electrons N E = effective number of electron oscillators N I , N O = number of inner and outer atomic electrons N S = number of species in the gas mixture N T = total number of atomic or molecular electrons P = gas pressure, torr R = universal gas constant, 8.31434 × 10 7 erg/particle · K R a = ath atom position relative to the molecular center of mass,Å r = intermolecular separation,Å r M = intermolecular equilibrium separation,Å r 2 = ratio of the internal to translational heat capacity, 2C int /5R, dimensionless s 2 = ratio of the rotational to translational heat capacity, 2C rot /5R, dimensionless T = gas ...

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“…Flow and boundary conditions for the case of 40-km altitude presented in [6] were adopted for the CFD solver. The finite rate chemistry employed by the CFD solver can be found in [59].…”

Section: Gpu-based Radiative Solver For Combustion and Propulsion 477mentioning

confidence: 99%

A High-Order-Accurate GPU-Based Radiative Transfer Equation Solver for Combustion and Propulsion Applications

Lee

Wilcox

et al. 2013

Numerical Heat Transfer, Part B: Fundamentals

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In this article we present a high-order-accurate solver for the radiative transfer equation (RTE) which uses the discontinuous Galerkin (DG) method and is designed for graphics processing units (GPUs). The compact nature of the high-order DG method enhances scalability, particularly on GPUs. High-order spatial accuracy can be used to reduce discretization errors on a given computational mesh, and can also reduce the mesh size needed to achieve a desired error tolerance. Computational efficiency is a key concern in solutions to radiative heat transfer problems, due to potentially large problem sizes created by (a) the presence of participating nongray media in a full-spectrum analysis, (b) the need to resolve a large number of angular directions and spatial extent of the domain for an accurate solution, and (c) potentially large variations in material and flow properties in the domain. We present here a simulation strategy, as well as a set of physical models, accompanied by a number of case studies, demonstrating the accuracy and superior performance in terms of computational efficiency of this approach.

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Finite rate chemistry for USA-series codes - Formulation and applications

Cited by 27 publications

References 7 publications

Characteristic-based algorithms for flows in thermochemical nonequilibrium

Characteristic-based algorithms for flows in thermochemical nonequilibrium

Transport Properties for the Chemical Oxygen-Iodine Laser

A High-Order-Accurate GPU-Based Radiative Transfer Equation Solver for Combustion and Propulsion Applications

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