Fast Computational Kinetics Program

Batch kinetics (1-D) algorithm development, stirred reactor (O-D) algorithm development, and interactive computer programs are summarized

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

An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces

Formulating Viscous Hydrodynamics for Large Velocity Gradients

Viscous corrections to relativistic hydrodynamics, which are usually formulated for small velocity g radients, have recently been extended from Navier-Stokes formulations to a class of treatments based on Israel-Stewart equations. Israel-Stewart treatments, which treat the spatial components of the s tress-energy tensor tau_ij as dynamical objects, introduce new parameters, such as the relaxati on times describing non-equilibrium behavior of the elements tau_ij. By considering linear resp onse theory and entropy constraints, we show how the additional parameters are related to fluctuatio ns of tau_ij. Furthermore, the Israel-Stewart parameters are analyzed for their ability to prov ide stable and physical solutions for sound waves. Finally, it is shown how these parameters, which are naturally described by correlation functions in real time, might be constrained by lattice calcu lations, which are based on path-integral formulations in imaginary time.Comment: 16 page

The Growth and Survival of Early Instars of \u3ci\u3eBellura Obliqua\u3c/i\u3e (Lepidoptera: Noctuidae) on \u3ci\u3eTypha Latifolia\u3c/i\u3e and \u3ci\u3eTypha Angustifolia\u3c/i\u3e

Larvae of the noctuid moth Bellura obliqua are frequently encountered on Typha latifolia, but less commonly on Typha angustifolia. Experiments were conducted to compare the growth and survivorship of early B. obliqua instars on the two species of cattail. In short-term growth chamber experiments there were no significant differences in the survivorship, relative growth rate (RGR), relative consumption rate (RCR), or the efficiency of conversion of ingested food (ECI) between first-instar larvae reared on leaves of the two species. Third-instar larvae fed stems, however, had a greater RGR and higher ECI when reared on T. lalifolia. Differences in growth are apparently not related to differences in hostplant nitrogen or acid-detergent fiber content. In a long term greenhouse experiment, using transplanted cattails, larvae reared on T. latifolia grew somewhat larger and had a significantly higher survival rate than those reared on T. angustifolia. Host plant structure is postulated to influence larval survivorship. Typha is under consideration for use as a bio-energy crop and planting T. angustifolia may help to reduce infestations in cultivated stands

Forage Feeding Systems for Dairy Cattle

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Fabrication process of a high temperature polymer matrix engine duct

The process that was used in the molding of an advanced composite outer by-pass duct planned for the F404 engine is discussed. This duct was developed as a potential replacement for the existing titanium duct in order to reduce both the weight and cost of the duct. The composite duct is now going into the manufacturing technology portion of the program. The duct is fabricated using graphite cloth impregnated with the PMR-15 matrix system

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent

CREKID: A computer code for transient, gas-phase combustion of kinetics

A new algorithm was developed for fast, automatic integration of chemical kinetic rate equations describing homogeneous, gas-phase combustion at constant pressure. Particular attention is paid to the distinguishing physical and computational characteristics of the induction, heat-release and equilibration regimes. The two-part predictor-corrector algorithm, based on an exponentially-fitted trapezoidal rule, includes filtering of ill-posed initial conditions, automatic selection of Newton-Jacobi or Newton iteration for convergence to achieve maximum computational efficiency while observing a prescribed error tolerance. The new algorithm was found to compare favorably with LSODE on two representative test problems drawn from combustion kinetics