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At least 469 records · Page 26

High altitude chemically reacting gas particle mixtures. Volume 1: A theoretical analysis and development of the numerical solution

The overall contractual effort and the theory and numerical solution for the Reacting and Multi-Phase (RAMP2) computer code are described. The code can be used to model the dominant phenomena which affect the prediction of liquid and solid rocket nozzle and orbital plume flow fields. Fundamental equations for steady flow of reacting gas-particle mixtures, method of characteristics, mesh point construction, and numerical integration of the conservation equations are considered herein.

Smith, S. D.↗

A numerical investigation of hydrogen combustion in Mach 2 flow

A numerical study is conducted of a reacting flowfield generated by a single hydrogen jet injected transversely behind a rearward facing step. A nonreacting mixing study was followed by a reacting simulation. The computation simulates a current experimental condition. The validation of the numerical solution was limited to a comparison of the wall-pressure distribution along the wall. The comparison indicates agreement between the experiment and the prediction with a maximum error of 7 percent. The addition of the reaction responsible for HO2 production (H + O2 + M = HO2 + M) to an initially simplified chemical mechanism reduced the exponential growth of the free radicals and reduced the amount of heat released by combustion; as a result, the flowfield was significantly changed. A reversed flow was obtained in limited regions of the flow.

Segal, Corin↗

Modern CFD applications for the design of a reacting shear layer facility

The RPLUS2D code, capable of calculating high speed reacting flows, was adopted to design a compressible shear layer facility. In order to create reacting shear layers at high convective Mach numbers, hot air streams at supersonic speeds, rendered by converging-diverging nozzles, must be provided. A finite rate chemistry model is used to simulate the nozzle flows. Results are compared with one-dimensional solutions at chemical equilibrium. Additionally, a two equation turbulence model with compressibility effects was successfully incorporated with the RPLUS code. The model was applied to simulate a supersonic shear layer. Preliminary results show favorable comparisons with the experimental data.

Yu, S. T.↗

Hydrogen Peroxide Concentrator

A relatively simple and economical process and apparatus for concentrating hydrogen peroxide from aqueous solution at the point of use have been invented. The heart of the apparatus is a vessel comprising an outer shell containing tubular membranes made of a polymer that is significantly more permeable by water than by hydrogen peroxide. The aqueous solution of hydrogen peroxide to be concentrated is fed through the interstitial spaces between the tubular membranes. An initially dry sweep gas is pumped through the interiors of the tubular membranes. Water diffuses through the membranes and is carried away as water vapor mixed into the sweep gas. Because of the removal of water, the hydrogen peroxide solution flowing from the vessel at the outlet end is more concentrated than that fed into the vessel at the inlet end. The sweep gas can be air, nitrogen, or any other gas that can be conveniently supplied in dry form and does not react chemically with hydrogen peroxide.

Parrish, Clyde F.↗

Chemical vapor transport growth of two-dimensional transition-metal dichalcogenides

A two-dimensional transition-metal dichalcogenide layer is grown by reacting a non- or low-volatile source material with a volatilized halogen or halide compound to produce a volatilized composition comprising at least one reaction product. The volatilized composition is flowed through an open chamber of a tube furnace with a temperature gradient, wherein the temperature changes along a path through which the volatilized composition flows through the open chamber of the tube furnace. Where the temperature along the path in the open chamber is in a reaction-temperature range, the volatilized composition is deposited as a two-dimensional crystalline transition-metal dichalcogenide layer.

Modtland, Brian J.↗

Passivation of Flexible YBCO Superconducting Current Lead With Amorphous SiO2 Layer

Adiabatic demagnetization refrigerators (ADR) are operated in space to cool detectors of cosmic radiation to a few 10s of mK. A key element of the ADR is a superconducting magnet operating at about 0.3 K that is continually energized and de-energized in synchronism with a thermal switch, such that a piece of paramagnetic salt is alternately warm in a high magnetic field and cold in zero magnetic field. This causes the salt pill or refrigerant to cool, and it is able to suck heat from an object, e.g., the sensor, to be cooled. Current has to be fed into and out of the magnets from a dissipative power supply at the ambient temperature of the spacecraft. The current leads that link the magnets to the power supply inevitably conduct a significant amount of heat into the colder regions of the supporting cryostat, resulting in the need for larger, heavier, and more powerful supporting refrigerators. The aim of this project was to design and construct high-temperature superconductor (HTS) leads from YBCO (yttrium barium copper oxide) composite conductors to reduce the heat load significantly in the temperature regime below the critical temperature of YBCO. The magnet lead does not have to support current in the event that the YBCO ceases to be superconducting. Cus - tomarily, a normal metal conductor in parallel with the YBCO is a necessary part of the lead structure to allow for this upset condition; however, for this application, the normal metal can be dispensed with. Amorphous silicon dioxide is deposited directly onto the surface of YBCO, which resides on a flexible substrate. The silicon dioxide protects the YBCO from chemically reacting with atmospheric water and carbon dioxide, thus preserving the superconducting properties of the YBCO. The customary protective coating for flexible YBCO conductors is silver or a silver/gold alloy, which conducts heat many orders of magnitude better than SiO2 and so limits the use of such a composite conductor for passing current across a thermal gradient with as little flow of heat as possible to make an efficient current lead. By protecting YBCO on a flexible substrate of low thermal conductivity with SiO2, a thermally efficient and flexible current lead can be fabricated. The technology is also applicable to current leads for 4 K superconducting electronics current biasing. A commercially available thin-film YBCO composite tape conductor is first stripped of its protective silver coating. It is then mounted on a jig that holds the sample flat and acts as a heat sink. Silicon dioxide is then deposited onto the YBCO to a thickness of about 1 micron using PECVD (plasma-enhanced chemical vapor deposition), without heating the YBCO to the point where degradation occurs. Since SiO2 can have good high-frequency electrical properties, it can be used to coat YBCO cable structures used to feed RF signals across temperature gradients. The prime embodiment concerns the conduction of DC current across the cryogenic temperature gradient. The coating is hard and electrically insulating, but flexible.

Johannes, Daniel↗

Numerical study of a ramjet dump combustor flow field

Increased interest in ramjet propulsion systems with higher performance requirements and tighter constraints on system size and weight has lead to the need for improved techniques for analyzing and designing such systems. A computer program has been developed to analyze the turbulent reacting flow field in a ramjet dump combustor configuration. The program solves the axisymmetric Navier-Stokes and species equations throughout the engine diffuser and combustor providing a unified analysis of the complete engine flow field, including flow separation, fuel-air mixing, and preliminary results with chemical reaction. Details of the program development are given, along with a comparison of program results with data from a dump combustor simulation experiment, to allow assessment of the flow field modeling that is employed.

Drummond, J. P.↗

Multidimensional Unstructured-Grid Liquid Rocket Engine Nozzle Performance and Heat Transfer Analysis

The objectives of this study are to conduct a unified computational analysis for computing the design parameters such as axial thrust, convective and radiative wall heat fluxes for liquid rocket engine nozzles, so as to develop a computational strategy for computing those design parameters through parametric investigations. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, radiating, unstructured-grid, and pressure-based formulation, with grid refinement capabilities. Systematic parametric studies on effects of wail boundary conditions, combustion chemistry, radiation coupling, computational cell shape, and grid refinement were performed and assessed. Comparisons of the computed axial thrust performance, flow features, and wail heat fluxes with those of available test data and design calculations are presented.

Wang, Ten-See↗

A spectral multi-domain technique for viscous compressible reacting flows

The first application of a spectral multidomain method for viscous compressible flow is presented. The method imposes a global flux balance condition at the interface so that high-order continuity of the solution is preserved. The solution scheme can be adapted to the particular requirement in each subdomain. To illustrate these advantages, a Mach 11 shock calculation is presented to study the chemical kinetics initiated as air passes through a fully resolved shock wave.

Macaraeg, M. G.↗

A commercialized, continuous flow fiber optic sensor for trichloroethylene and haloforms

Purus, Inc. has commercialized a fiber optic chemical sensor using technology developed by Lawrence Livermore National Laboratory and licensed from The University of California. The basis for the sensor is the development of color within a reagent when exposed to an analyte. The sensor consists of an optrode, reagent delivery and recover system, fiber optic transmitter-receiver, controller, and display. Reagent is pumped through the optrode. Analyte diffuses across a gas permeable membrane and reacts with the reagent to form a colored product. The colored product is detected by measuring the absorbance of light from a 568 nm diode. Reagents are currently available for TCE and trihalomethanes. Initial reagent chemistry is based on the Fujiwara alkaline pyridine reaction. The optrode contacts only gas streams, but the volatility of the current analytes also allows measurements of aqueous streams, without being affected by aqueous interferents that are non-volatile. Sensitivity of the sensor has been demonstrated to 5 ppb aqueous solutions and 0.1 ppmv in flowing gas streams.

Wells, James C.↗

Further analytical study of hybrid rocket combustion

Analytical studies of the transient and steady-state combustion processes in a hybrid rocket system are discussed. The particular system chosen consists of a gaseous oxidizer flowing within a tube of solid fuel, resulting in a heterogeneous combustion. Finite rate chemical kinetics with appropriate reaction mechanisms were incorporated in the model. A temperature dependent Arrhenius type fuel surface regression rate equation was chosen for the current study. The governing mathematical equations employed for the reacting gas phase and for the solid phase are the general, two-dimensional, time-dependent conservation equations in a cylindrical coordinate system. Keeping the simplifying assumptions to a minimum, these basic equations were programmed for numerical computation, using two implicit finite-difference schemes, the Lax-Wendroff scheme for the gas phase, and, the Crank-Nicolson scheme for the solid phase.

Hung, W. S. Y.↗

Modeling of the reactant conversion rate in a turbulent shear flow

Results are presented of direct numerical simulations (DNS) of spatially developing shear flows under the influence of infinitely fast chemical reactions of the type A + B yields Products. The simulation results are used to construct the compositional structure of the scalar field in a statistical manner. The results of this statistical analysis indicate that the use of a Beta density for the probability density function (PDF) of an appropriate Shvab-Zeldovich mixture fraction provides a very good estimate of the limiting bounds of the reactant conversion rate within the shear layer. This provides a strong justification for the implementation of this density in practical modeling of non-homogeneous turbulent reacting flows. However, the validity of the model cannot be generalized for predictions of higher order statistical quantities. A closed form analytical expression is presented for predicting the maximum rate of reactant conversion in non-homogeneous reacting turbulence.

Frankel, S. H.↗

Three-dimensional numerical predictions of the flow behind a rearward-facing-step in a supersonic combustor

A CFD code was developed to compute the mixing and combustion of hydrogen fuel in the turbulent flow fields of scramjets. The code is based on the complete Reynold's time-averaged three-dimensional Navier-Stokes equations, and chemical species equations. The code includes a global finite rate hydrogen-air chemical reaction model and the Baldwin-Lomax (1978) turbulence model. The validity of this CFD code was demonstrated by comparing computed results from the code with existing data for three configurations, each containing an important feature of the scramjet combustor flow. The code was then applied to the reacting flow field in a complex combustor model in which hydrogen fuel was injected transversely into a supersonic hot airstream through several fuel injectors.

Uenishi, K.↗

Ionizable-Substance Detector

Device that includes all conventional components of fuel cell and electrolyzer continuously monitors concentration of ionizable substance in stream of fluid without significantly disrupting flow or chemical composition. Among substances monitored are hydrogen, sodium, fluorine, chlorine, oxygen, and bromine. Useful in early detection of fluctuations, malfunctions, or hazards. Particularly useful for detecting hydrogen in stream of water in closed system containing oxygen, wherein concentration of hydrogen must not exceed given maximum, lest hydrogen react explosively with oxygen. Also used to monitor exhaust stream to comply with environmental-protection requirements.

Mcelroy, William↗

Multiphase computational fluid dynamics modeling of reacting flows in absorption columns for carbon capture

First-principles derived computational fluid dynamics (CFD) simulations have been proposed as a fundamental tool for investigating solvent-based CO 2 absorption in packed columns due to their ability to accurately represent the underlying nonlinear, multiscale dynamics. Numerous studies have previously utilized such CFD simulations to investigate hydrodynamics of columns with structured and random packings by assessing the key hydrodynamic metrics such as the interfacial and wetted areas. While mapping such metrics for different conditions is essential to the optimization of absorption columns, it is not sufficient, as the CO 2 capture rate depends also on the coupled, nonlinear dynamics from the underlying chemical reaction kinetics, thermodynamics, and heat-transfer rates. In this work, we present detailed CFD simulation results augmented by incorporating the effects of interfacial physical mass transfer of CO 2 , heat release from chemical reaction kinetics, and thermophysical property variations from resulting temperature gradients. We demonstrate the applicability of the proposed approach in numerically assessing the performance of packed columns by evaluating key hydrodynamic quantities, CO 2 absorption rates, and temperature rise in a reference column with packings that are structurally similar to the Sulzer Mellapak™ 250.Y packing, for different solvent inflow velocities and temperatures. Predictions from simulation results are found to be consistent with the trends in experimental observations from the literature, suggesting that the predictive capabilities of the simulation framework can be leveraged to guide the future development of absorber-column designs and optimized process flowsheets.

Absorption columns↗

Towards a generalized computational fluid dynamics technique for all Mach numbers

Currently there exists no single unified approach for efficiently and accurately solving computational fluid dynamics (CFD) problems across the Mach number regime, from truly low speed incompressible flows to hypersonic speeds. There are several CFD codes that have evolved into sophisticated prediction tools with a wide variety of features including multiblock capabilities, generalized chemistry and thermodynamics models among other features. However, as these codes evolve, the demand placed on the end user also increases simply because of the myriad of features that are incorporated into these codes. In order for a user to be able to solve a wide range of problems, several codes may be needed requiring the user to be familiar with the intricacies of each code and their rather complicated input files. Moreover, the cost of training users and maintaining several codes becomes prohibitive. The objective of the current work is to extend the compressible, characteristic-based, thermochemical nonequilibrium Navier-Stokes code GASP to very low speed flows and simultaneously improve convergence at all speeds. Before this work began, the practical speed range of GASP was Mach numbers on the order of 0.1 and higher. In addition, a number of new techniques have been developed for more accurate physical and numerical modeling. The primary focus has been on the development of optimal preconditioning techniques for the Euler and the Navier-Stokes equations with general finite-rate chemistry models and both equilibrium and nonequilibrium thermodynamics models. We began with the work of Van Leer, Lee, and Roe for inviscid, one-dimensional perfect gases and extended their approach to include three-dimensional reacting flows. The basic steps required to accomplish this task were a transformation to stream-aligned coordinates, the formulation of the preconditioning matrix, incorporation into both explicit and implicit temporal integration schemes, and modification of the numerical flux formulae. In addition, we improved the convergence rate of the implicit time integration schemes in GASP through the use of inner iteration strategies and the use of the GMRES (General Minimized Resisual) which belongs to the class of algorithms referred to as Krylov subspace iteration. Finally, we significantly improved the practical utility of GASP through the addition of mesh sequencing, a technique in which computations begin on a coarse grid and get interpolated onto successively finer grids. The fluid dynamic problems of interest to the propulsion community involve complex flow physics spanning different velocity regimes and possibly involving chemical reactions. This class of problems results in widely disparate time scales causing numerical stiffness. Even in the absence of chemical reactions, eigenvalue stiffness manifests itself at transonic and very low speed flows which can be quantified by the large condition number of the system and evidenced by slow convergence rates. This results in the need for thorough numerical analysis and subsequent implementation of sophisticated numerical techniques for these difficult yet practical problems. As a result of this work, we have been able to extend the range of applicability of compressible codes to very low speed inviscid flows (M = .001) and reacting flows.

Walters, R. W.↗

Volatile Products of the Autoxidation of Poly(ethylenimine) in CO 2 Sorbents

Poly(ethyleneimine) (PEI)-based CO 2 sorbents are a promising material class for use in CO 2 capture applications, particularly direct air capture (DAC), due to their high amine content and CO 2 capacities. The sorbent lifetime is a key uncertainty in the deployment of these materials in such applications, as they oxidize under conditions relevant to candidate DAC process cycles. Here, in this study, we utilize thermogravimetric analysis/differential scanning calorimetry/FTIR spectroscopy to characterize the nature, rate, and quantity of volatile species formed from the oxidation of PEI when supported on mesoporous Al 2 O 3 . We show that NH 3 , CO 2 , and H 2 O are primary volatile species formed from PEI oxidation and that their production rate matches the overall oxidation rate as measured via heat flow from a differential scanning calorimeter. We show that the total quantity of NH 3 evolved is consistent with terminal primary amines being cleaved from the polymer chain and that approximately one hydrogen atom per PEI repeat unit reacts to form H 2 O during the reaction. Finally, metadynamics and quantum chemical simulations performed on a simplified system are used to highlight the likely importance of radicals in the elementary reactions that comprise the oxidation reaction set. The findings here represent the first characterization of the volatile products from the oxidation of PEI in CO 2 sorbents and lead to a greater understanding of the mechanisms behind the oxidative degradation of these materials.

36 MATERIALS SCIENCE↗

Progress in the development of PDF turbulence models for combustion

A combined Monte Carlo-computational fluid dynamic (CFD) algorithm was developed recently at Lewis Research Center (LeRC) for turbulent reacting flows. In this algorithm, conventional CFD schemes are employed to obtain the velocity field and other velocity related turbulent quantities, and a Monte Carlo scheme is used to solve the evolution equation for the probability density function (pdf) of species mass fraction and temperature. In combustion computations, the predictions of chemical reaction rates (the source terms in the species conservation equation) are poor if conventional turbulence modles are used. The main difficulty lies in the fact that the reaction rate is highly nonlinear, and the use of averaged temperature produces excessively large errors. Moment closure models for the source terms have attained only limited success. The probability density function (pdf) method seems to be the only alternative at the present time that uses local instantaneous values of the temperature, density, etc., in predicting chemical reaction rates, and thus may be the only viable approach for more accurate turbulent combustion calculations. Assumed pdf's are useful in simple problems; however, for more general combustion problems, the solution of an evolution equation for the pdf is necessary.

Hsu, Andrew T.↗