Search NASA⌕ Search

SEARCH · Search NASA

Results for “reaction engineering”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19

Aerothermal Testing for Project Orion Crew Exploration Vehicle

The Project Orion Crew Exploration Vehicle aerothermodynamic experimentation strategy, as it relates to flight database development, is reviewed. Experimental data has been obtained to both validate the computational predictions utilized as part of the database and support the development of engineering models for issues not adequately addressed with computations. An outline is provided of the working groups formed to address the key deficiencies in data and knowledge for blunt reentry vehicles. The facilities utilized to address these deficiencies are reviewed, along with some of the important results obtained thus far. For smooth wall comparisons of computational convective heating predictions against experimental data from several facilities, confidence was gained with the use of algebraic turbulence model solutions as part of the database. For cavities and protuberances, experimental data is being used for screening various designs, plus providing support to the development of engineering models. With the reaction-control system testing, experimental data were acquired on the surface in combination with off-body flow visualization of the jet plumes and interactions. These results are being compared against predictions for improved understanding of aftbody thermal environments and uncertainties.

Berry, Scott A.↗

Integrated Pressure-Fed Liquid Oxygen / Methane Propulsion Systems - Morpheus Experience, MARE, and Future Applications

An integrated liquid oxygen (LOx) and methane propulsion system where common propellants are fed to the reaction control system and main engines offers advantages in performance, simplicity, reliability, and reusability. LOx/Methane provides new capabilities to use propellants that are manufactured on the Mars surface for ascent return and to integrate with power and life support systems. The clean burning, non-toxic, high vapor pressure propellants provide significant advantages for reliable ignition in a space vacuum, and for reliable safing or purging of a space-based vehicle. The NASA Advanced Exploration Systems (AES) Morpheus lander demonstrated many of these key attributes as it completed over 65 tests including 15 flights through 2014. Morpheus is a prototype of LOx/Methane propellant lander vehicle with a fully integrated propulsion system. The Morpheus lander flight demonstrations led to the proposal to use LOx/Methane for a Discovery class mission, named Moon Aging Regolith Experiment (MARE) to land an in-situ science payload for Southwest Research Institute on the Lunar surface. Lox/Methane is extensible to human spacecraft for many transportation elements of a Mars architecture. This paper discusses LOx/Methane propulsion systems in regards to trade studies, the Morpheus project experience, the MARE NAVIS (NASA Autonomous Vehicle for In-situ Science) lander, and future possible applications. The paper also discusses technology research and development needs for Lox/Methane propulsion systems.

Hurlbert, Eric↗

Transfer of Training on the Vertical Motion Simulator

This paper describes a transfer-of-training study in the NASA Ames Vertical Motion Simulator (VMS). Sixty-one general aviation pilots, divided in four groups, trained on four challenging commercial transport tasks with four motion conditions: no motion, small hexapod, large hexapod, and VMS motion. Then, every pilot repeated the tasks with VMS motion to determine if training with different motion conditions had an effect. New objective motion criteria guided the selection of the motion parameters for the small and large hexapod conditions. Considering results that were statistically significant, or marginally, the motion condition used in training affected 1) longitudinal and lateral touchdown location; 2) the number of secondary stall warnings in a stall recovery; 3) pilot ratings of motion utility and maximum load factor obtained in an overbanked upset recovery; and 4) pilot ratings of motion utility and pedal input reaction time in the engine-out-on-takeoff task. Since the motion condition revealed statistical differences on objective measures in all the tasks, even with some in the direction not predicted, trainers should be cautious not to oversimplify the effects of platform motion. Evidence suggests that the new objective motion criteria may offer valid standardization benefits, as instances arose when the higher-fidelity hexapod motion, as predicted by the criteria, provided better cues in training than the lower-fidelity hexapod motion.

Zaal, Peter M. T.↗

Multiple-Effector Control Allocation: Theory and Practice

Redundant controls are ubiquitous in many aerospace domains, including aircraft, spacecraft, and launch vehicles. Multiple control effectors having different capabilities (e.g., reaction controls, aerosurfaces, and vectored engines) must be optimally allocated to achieve high-performance and robust vehicle control, while considering different constraints, cost, or performance metrics associated with various control mixing schemes. These can include force or deflection limits, rate limits, propellant usage or drag penalties, cross-axis coupling, uncertainties, or even servoelastic interactions. This presentation introduces the fundamentals of control allocation theory, based on linear algebra and convex sets, using a handful of examples taken from the air and space vehicle domains. It is shown that even simple methods can provide verifiable and quantifiable performance benefits over ad-hoc approaches, and can support enhanced functions like fault tolerance and control reconfiguration.

Bill Benson↗

Autonomous Constrained Control for Arbitrary Configurations of Gimbaling Thrusters in SE(3)

In order to develop robust autonomy in spacecraft, it is desirable to develop methods for controlling a spacecraft in various configurations with any combination of thrusters of various types and both for static RCS thrusters and gimbaling thrusters. In the case of a stuck thruster imposing unplanned and undesired motion both translational and rotational or in the case of a malfunctioning thruster, it is desirable for that spacecraft to have the ability to identify and overcome that problem without human intervention. To that end, a spacecraft must be able to rapidly and autonomously reconfigure thruster firing histories and update guidance protocols. In this paper, a method for a spacecraft to autonomously select thrusters of any configuration is presented. The residual motion imposed by off-nominal or not-fully-controllable thruster configurations is identified by the spacecraft and solved for, both for static reaction control systems and gimbaling engines.

Matthew M. Witta↗

The hard start phenomena in hypergolic engines. Volume 4: The chemistry of hydrazine fuels and nitrogen tetroxide propellant systems

The various chemical reactions that occur and that could possibly occur in the RCS engines utilizing hydrazine-type fuel/nitrogen tetroxide propellant systems, prior to ignition (preignition), during combustion, and after combustion (postcombustion), and endeavors to relate the hard-start phenomenon to some of these reactions are discussed. The discussion is based on studies utilizing a variety of experimental techniques and apparatus as well as current theories of chemical reactions and reaction kinetics. The chemical reactions were studied in low pressure gas flow reactors, low temperature homogeneous- and heterogeneous-phase reactors, simulated two-dimensional (2-D) engines, and scaled and full size engines.

Miron, Y.↗

Long‐Range Confinement‐Driven Enrichment of Surface Oxygen‐Relevant Species Promotes C−C Electrocoupling in CO 2 Reduction

Abstract CO 2 reduction is a highly attractive route to transform CO 2 into useful feedstocks, of which C 2 products are more desired than C 1 , yet face high kinetic barriers of C−C electrocoupling. Here, the engineering of pore‐enabled local confinement reaction environments is reported for tuning the enrichment of surface‐adsorbed oxygen‐relevant species and the establishment of their pronounced benefits in promoting C−C coupling over oxide‐derived Cu‐based catalysts. A new approach of utilizing the microphase separation of a block copolymer is developed to fabricate bicontinuous mesoporous CuO nanofibers (CuO‐BPNF). The enhanced confinement from long‐range mesochannels enables the adsorption of OH ad /O ad on the Cu surface at a wide negative potential range of −0.7 – −1.3 V in CO 2 reduction, which cannot be achieved over conventional deficient and short‐range pores. Constant‐potential DFT calculations reveal that the surface‐bound oxygen species weakens *CO affinity with the Cu (111) surface and lowers the kinetic barriers for both *CO−CO dimerization and *CO hydrogenation to enable *CO−CHO coupling. Accordingly, a CO 2 ‐to‐C 2 Faradaic efficiency of 74.7% over CuO‐BPNF is shown, significantly larger than counterparts with conventional pores. This work offers a general design principle of confinement engineering to manage the adsorption of reactive species for steering reaction pathways in interfacial catalysis.

Chemistry↗

Windowed multipole representation of R -matrix cross sections

Nuclear cross sections are basic inputs to any nuclear computation. Campaigns of experiments are fitted with the parametric R-matrix model of quantum nuclear interactions, and the resulting cross sections are documented—both pointwise and as resonance parameters (with uncertainties)—in standard evaluated nuclear data libraries (ENDF, JEFF, BROND, JENDL, CENDL, TENDL): these constitute our common knowledge of fundamental low-energy nuclear cross sections. In the past decade, a collaborative effort has been deployed to establish a new nuclear cross-section library format—the Windowed Multipole Library—with the goal of considerably reducing the computational cost of cross-section calculations in nuclear transport simulations. This work lays the theoretical foundations underpinning these efforts. From general R-matrix scattering theory, we derive the windowed multipole representation of nuclear cross sections. Though physically and mathematically equivalent to R-matrix cross sections, the windowed multipole representation is particularly well suited for subsequent temperature treatment of angle-integrated cross sections, in particular Doppler broadening, which is the averaging of cross sections over the thermal motion of the target atoms. Doppler broadening is of critical importance in neutron transport applications, as it ensures the stability of many nuclear reactors (negative thermal reactivity). Yet, Doppler broadening of nuclear cross sections has been a considerable bottleneck for nuclear transport computations, often requiring memory-costly pretabulations. We show that the windowed multipole representation can perform accurate Doppler broadening analytically (up to the first reaction threshold), from which we derive cross-section temperature derivatives to any order—all computable on the fly (without precalculations stored in memory). Furthermore, we here establish a way of converting the R-matrix resonance parameters uncertainty (covariance matrices) into windowed multipole parameters uncertainty. We show that generating stochastic nuclear cross sections by sampling from the resulting windowed multipole covariance matrix can reproduce the cross-section uncertainty in the original nuclear data file. The windowed multipole representation is therefore a novel nuclear physics formalism able to generate Doppler broadened stochastic nuclear cross sections on the fly, unlocking breakthrough computational gains for nuclear computations. Through this foundational paper, we hope to make the windowed multipole representation accessible, reproducible, and usable for the nuclear physics community, as well as provide the theoretical basis for future research on expanding its capabilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Caution on Using Tetrahydrofuran for Processing Crystalline Silica Samples From Engineered Stone for XRD Analysis

Abstract We conducted laboratory experiments to investigate a suspected effect of tetrahydrofuran (THF) on quantifying crystalline silica in samples collected from working with engineered stone when THF is used to process samples prior to the X-ray diffraction (XRD) analysis. Two groups of samples from grinding either engineered stone or granite were simultaneously taken from a laboratory testing system, with one group of samples using THF for processing and another group using muffle furnace for ashing. For each stone type, we also tested four levels of respirable dust loading on the samples by varying the grinding time from 1 to 8 min. Statistical analysis of the experimental results on crystalline silica contents of the two groups of samples showed that the difference between the two methods was not significant (P ≥ 0.05) for the granite at all four levels of respirable dust loading and for the engineered stone at the two levels of respirable dust loading greater than 0.5 mg. However, the crystalline silica content from using THF processing was significantly lower (P = 0.001) than that from using muffle furnace ashing for engineered stone when the respirable dust loading levels were less than 0.5 mg. For the engineered stone dust samples with grinding times of 1 and 2 min, the average respirable dust loading was about 0.19 and 0.34 mg, respectively; while the crystalline silica content from using THF processing was 30.9 and 21.5% lower than that from using muffle furnace ashing, respectively. Since most full-shift samples from field assessments in this industry are expected to have respirable dust loading less than 0.5 mg, muffle furnace or radio frequency plasma ashing should be specified as the preferred sample processing method instead of the THF processing method for quantification of crystalline silica when engineered stone is expected to present to avoid artificially reduced silica content values, which are likely caused by the reactions between THF and the resins in engineered stone.

Public, Environmental & Occupational Health↗

Orion Guidance and Control Ascent Abort Algorithm Design and Performance Results

During the ascent flight phase of NASA s Constellation Program, the Ares launch vehicle propels the Orion crew vehicle to an agreed to insertion target. If a failure occurs at any point in time during ascent then a system must be in place to abort the mission and return the crew to a safe landing with a high probability of success. To achieve continuous abort coverage one of two sets of effectors is used. Either the Launch Abort System (LAS), consisting of the Attitude Control Motor (ACM) and the Abort Motor (AM), or the Service Module (SM), consisting of SM Orion Main Engine (OME), Auxiliary (Aux) Jets, and Reaction Control System (RCS) jets, is used. The LAS effectors are used for aborts from liftoff through the first 30 seconds of second stage flight. The SM effectors are used from that point through Main Engine Cutoff (MECO). There are two distinct sets of Guidance and Control (G&C) algorithms that are designed to maximize the performance of these abort effectors. This paper will outline the necessary inputs to the G&C subsystem, the preliminary design of the G&C algorithms, the ability of the algorithms to predict what abort modes are achievable, and the resulting success of the abort system. Abort success will be measured against the Preliminary Design Review (PDR) abort performance metrics and overall performance will be reported. Finally, potential improvements to the G&C design will be discussed.

Proud, Ryan W.↗

Template for Systems Engineering Tools Trade Study

A discussion of Systems Engineering tools brings out numerous preferences and reactions regarding tools of choice as well as the functions those tools are to perform. A recent study of Systems Engineering Tools for a new Program illustrated the need for a generic template for use by new Programs or Projects to determine the toolset appropriate for their use. This paper will provide the guidelines new initiatives can follow and tailor to their specific needs, to enable them to make their choice of tools in an efficient and informed manner. Clearly, those who perform purely technical functions will need different tools than those who perform purely systems engineering functions. And, everyone has tools they are comfortable with. That degree of comfort is frequently the deciding factor in tools choice rather than an objective study of all criteria and weighting factors. This paper strives to produce a comprehensive list of criteria for selection with suggestions for weighting factors based on a number of assumptions regarding the given Program or Project. In addition, any given Program will begin with assumptions for its toolset based on Program size, tool cost, user base and technical needs. In providing a template for tool selection, this paper will guide the reader through assumptions based on Program need; decision criteria; potential weighting factors; the need for a compilation of available tools; the importance of tool demonstrations; and finally a down selection of tools. While specific vendors cannot be mentioned in this work, it is expected that this template could serve other Programs in the formulation phase by alleviating the trade study process of some of its subjectivity.

Michelle D Bailey↗

Thermal Cyclic Behavior of Thermal and Environmental Barrier Coatings Investigated Under High-Heat-Flux Conditions

Environmental barrier coatings (EBC's) have been developed to protect silicon-carbide- (SiC) based ceramic components in gas turbine engines from high-temperature environmental attack. With continuously increasing demands for significantly higher engine operating temperature, future EBC systems must be designed for both thermal and environmental protection of the engine components in combustion gases. In particular, the thermal barrier functions of EBC's become a necessity for reducing the engine-component thermal loads and chemical reaction rates, thus maintaining the required mechanical properties and durability of these components. Advances in the development of thermal and environmental barrier coatings (TBC's and EBC's, respectively) will directly impact the successful use of ceramic components in advanced engines. To develop high-performance coating systems, researchers must establish advanced test approaches. In this study, a laser high-heat-flux technique was employed to investigate the thermal cyclic behavior of TBC's and EBC's on SiC-reinforced SiC ceramic matrix composite substrates (SiC/SiC) under high thermal gradient and thermal cycling conditions. Because the laser heat flux test approach can monitor the coating's real-time thermal conductivity variations at high temperature, the coating thermal insulation performance, sintering, and delamination can all be obtained during thermal cycling tests. Plasma-sprayed yttria-stabilized zirconia (ZrO2-8 wt% Y2O3) thermal barrier and barium strontium aluminosilicate-based environmental barrier coatings (BSAS/BSAS+mullite/Si) on SiC/SiC ceramic matrix composites were investigated in this study. These coatings were laser tested in air under thermal gradients (the surface and interface temperatures were approximately 1482 and 1300 C, respectively). Some coating specimens were also subject to alternating furnace cycling (in a 90-percent water vapor environment at 1300 C) and laser thermal gradient cycling tests (in air), to investigate the water vapor effect. All cyclic tests were conducted using a 60-min hot-time temperature.

Zhu, Dongming↗

Theoretical determination of chemical rate constants using novel time-dependent methods

The work completed within the grant period 10/1/91 through 12/31/93 falls primarily in the area of reaction dynamics using both quantum and classical mechanical methodologies. Essentially four projects have been completed and have been or are in preparation of being published. The majority of time was spent in the determination of reaction rate coefficients in the area of hydrocarbon fuel combustion reactions which are relevant to NASA's High Speed Research Program (HSRP). These reaction coefficients are important in the design of novel jet engines with low NOx emissions, which through a series of catalytic reactions contribute to the deterioration of the earth's ozone layer. A second area of research studied concerned the control of chemical reactivity using ultrashort (femtosecond) laser pulses. Recent advances in pulsed-laser technologies have opened up a vast new field to be investigated both experimentally and theoretically. The photodissociation of molecules adsorbed on surfaces using novel time-independent quantum mechanical methods was a third project. And finally, using state-of-the-art, high level ab initio electronic structure methods in conjunction with accurate quantum dynamical methods, the rovibrational energy levels of a triatomic molecule with two nonhydrogen atoms (HCN) were calculated to unprecedented levels of agreement between theory and experiment.

Dateo, Christopher E.↗

Concepts Relevant for the Kinetic Analysis of Reversible Reaction Systems

The net rate of a reversible chemical reaction is the difference between unidirectional rates of traversal along forward and reverse reaction paths. In a multistep reaction sequence, the forward and reverse trajectories, in general, are not the microscopic reverse of one another; rather, each unidirectional route is comprised of distinct rate-controlling steps, intermediates, and transition states. Consequently, traditional descriptors of rate (e.g., reaction orders) do not reflect intrinsic kinetic information but instead conflate unidirectional contributions determined by (i) the microscopic occurrence of forward/reverse reactions (i.e., unidirectional kinetics) and (ii) the reversibility of reaction (i.e., nonequilibrium thermodynamics). This review aims to provide a comprehensive resource of analytical and conceptual tools which deconvolute the contributions of reaction kinetics and thermodynamics to disambiguate unidirectional reaction trajectories and precisely identify rate- and reversibility-controlling molecular species and steps in reversible reaction systems. The extrication of mechanistic and kinetic information from bidirectional reactions is accomplished through equation-based formalisms (e.g., De Donder relations) grounded in principles of thermodynamics and interpreted in the context of theories of chemical kinetics developed in the past 25 years. Here, the aggregate of mathematical formalisms detailed herein is general to thermochemical and electrochemical reactions and encapsulates a diverse body of scientific literature encompassing chemical physics, thermodynamics, chemical kinetics, catalysis, and kinetic modeling.

42 ENGINEERING↗

Engine Load Path Calculations - Project Neo

A mathematical model of the engine and actuator geometry was developed and used to perform a static force analysis of the system with the engine at different pitch and yaw angles. This analysis yielded the direction and magnitude of the reaction forces at the mounting points of the engine and actuators. These data were used to validate the selection of the actuators installed in the system and to design a new spherical joint to mount the engine on the test fixture. To illustrate the motion of the system and to further interest in the project, a functional 3D printed version of the system was made, featuring the full mobility of the real system.

geometry↗

Deep reaction network exploration at a heterogeneous catalytic interface

Characterizing the reaction energies and barriers of reaction networks is central to catalyst development. However, heterogeneous catalytic surfaces pose several unique challenges to automatic reaction network characterization, including large sizes and open-ended reactant sets, that make ad hoc network construction the current state-of-the-art. Here, we show how automated network exploration algorithms can be adapted to the constraints of heterogeneous systems using ethylene oligomerization on silica-supported single-site Ga 3+ as a model system. Using only graph-based rules for exploring the network and elementary constraints based on activation energy and size for identifying network terminations, a comprehensive reaction network is generated and validated against standard methods. The algorithm (re)discovers the Ga-alkyl-centered Cossee-Arlman mechanism that is hypothesized to drive major product formation while also predicting several new pathways for producing alkanes and coke precursors. These results demonstrate that automated reaction exploration algorithms are rapidly maturing towards general purpose capability for exploratory catalytic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NUMERICAL INVESTIGATION OF FUEL PROPERTY EFFECTS ON MIXED-MODE COMBUSTION IN A SPARK-IGNITION ENGINE

In the present study, mixed-mode combustion of an E30 fuel in a direct-injection spark-ignition engine is numerically investigated at a fuel-lean operating condition using multidimensional computational fluid dynamics (CFD). A fuel surrogate matching Research Octane Number (RON) and Motor Octane Number (MON) of E30 is first developed using neural network based non-linear regression model. To enable efficient 3D engine simulations, a 164-species skeletal reaction mechanism incorporating NO, chemistry is reducedfrom a detailed chemical kinetic model. A hybrid approach that incorporates the G-equation model for tracking turbulentflame front, and the multi-zone well-stirred reactor model for predicting auto-ignition in the end gas, is employed to account for turbulent combustion interactions in the engine cylinder. Predicted in-cylinder pressure and heat release rate traces agree well with experimental measurements. The proposed modelling approach also captures moderated cyclic variability. Two different types of combustion cycles, corresponding to purely deflagrative and mixed-mode combustion, are observed. In contrast to the purely deflagrative cycles, mixed-mode combustion cycles feature early flame propagation followed by end-gas auto-ignition, leading to two distinctive peaks in heat release rate traces. The positive correlation between mixed-mode combustion cycles and early flame propagation is well captured by simulations. With the validated numerical setup, effects of NOx chemistry on mixed-mode combustion predictions are investigated. NOx chemistry is found to promote auto-ignition through residual gas recirculation, while the deflagrative flame propagation phase remains largely unaffected. Local sensitivity analysis is then performed to understand effects of physical and chemical properties of the fuel, i.e., heat of evaporation (HoV) and laminar flame speed (S-L). An increased HoV tends to suppress end-gas auto-ignition due to increased vaporization cooling, while the impact of HoV on flame propagation is insignificant. In contrast, an increased SL is found to significantly promote both flame propagation and auto-ignition. The promoting effect of SL on auto-ignition is not a direct chemical effect; it is rather caused by an advancement of the combustion phasing, which increases compression heating of the end gas.

detailed chemical kinetics↗

Summary of Propulsion System Needs in Support of Project Constellation

In January 2004, the President of the United States established the Vision for Space Exploration (VSE) to return man to the moon and ultimately to extend manned space travel to Mars. This paper will summarize the manned space flight liquid propulsion system needs in support of Project Constellation over the next 10 years. It will include all engine needs to return man to the moon. An overview of engines currently under contract, those baselined but not yet under contract, and those engine needs that hav.e yet to be initiated. Project Constellation includes the components as shown Figure 1. Liquid propulsion systems supporting the manned portion of these elements include the following: the Crew Exploration Vehicle named Orion (crew module reaction control system (CMRCS), service module Orion Main Engine (OME), service module auxiliary RCS, and service module reaction control system (SMRCS)), the Crew Launch Vehicle named Ares 1 (J2X upper stage, first stage roll control system, second stage reaction control system, and the Ares I-X roll control system), the Heavy Lift Launch Vehicle named Ares V (RS68B first stage booster, J-2X upper stage, roll control systems, and the Earth Departure Stage (EDS) (powered by the same Ares V Upper Stage J-2X), and the Lunar Lander named Altair with both descent and ascent stages (lunar orbit insertion and descent main engine, ascent main engine, and attitude control systems for both stages). In addition, there may be additional engine needs for early demonstrators, but those will not be speculated on as part of this paper. Also, other portions of the VSE architecture, including the planned Orion abort demonstrations and the Lunar Precursor Robotic Program, are not addressed here as they either use solid motors or are focused on unmanned precursor missions.

Sumrall, Phil↗