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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.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mathematical modeling and parameter estimation of MFI membranes for para/ortho‐xylene separation

Abstract A mathematical model of a membrane with a thin, oriented, and selective MFI layer, which also includes contributions from defects, pore blockages, support layer, and external mass transfer, was formulated based on the Maxwell‐Stefan equations. It was validated using reported (Kim et al., Angew Chemie Int Ed, 2018, 57:480–485; Jeon et al., Nature, 2017, 543:690–694) para/ortho‐xylene separation data from five MFI membranes. The diffusivities of the xylenes were considered to be the same for all membranes, while the thickness and the density of defects and pore blockage were treated as unique properties of each membrane, and their contributions were estimated by fitting the model to the corresponding separation data. The effects of these properties and the role of permeate pressure on the separation performance were subsequently analyzed. The proposed modeling, parameter estimation, and analysis framework allow one to quantitatively interpret the variation of separation performance, to understand separation bottlenecks, and to provide guidance for designing membranes with desired performance.

Liu, Jingjun↗
NASA NTRS1984

Mathematical modeling of the aerodynamic characteristics in flight dynamics

Basic concepts involved in the mathematical modeling of the aerodynamic response of an aircraft to arbitrary maneuvers are reviewed. The original formulation of an aerodynamic response in terms of nonlinear functionals is shown to be compatible with a derivation based on the use of nonlinear functional expansions. Extensions of the analysis through its natural connection with ideas from bifurcation theory are indicated.

Tobak, M.↗
DOE OSTI2018

Bistability analysis in mathematical model of M-phase control in Xenopus oocyte extracts

To gain more insight into the molecular mechanism that regulates eukaryotic cell cycle, we propose a modification to an existing Mathematical model of mitosis-promoting factor control in Xenopus oocyte extract. To achieve this, we redirect how cell exits from mitosis using ubiquitin ligase enzyme APCP:Cdc20 which is acting as a modifier in cyclin degradation. We present a modified wiring map using combination of mass action kinetics and Michaelis–Menten kinetics to represent the biochemical processes. This results in a system of non-linear ordinary differential equations. The equilibria of the system were analyzed analytically. Using MPF as a bifurcation parameter, we analytically derived conditions under which bistability can occur in the MPF activation module. We find that for bistability to occur, it is necessary that the rate of phosphorylation of Wee1 must be greater than the rate of its dephosphorylation and that the concentration of MPF must lie in certain range of parameter values. Numerical simulations conducted show that the time taken to exit the cell cycle is shorter than those published in some reports and the sensitivity analysis results suggest that the rate of synthesis of cyclin is the most sensitive parameter in the dynamics of cell cycle. Through numerical experiments, we found new parameter sets that will give rise to bistability in the MPF activation module.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Mathematical modeling of a moving bed reactor for post-combustion CO 2 capture

A mathematical model for a moving bed reactor with embedded heat exchanger has been developed for application to solid sorbent-based capture of carbon dioxide from flue gas emitted by coal-fired power plants. The reactor model is one-dimensional, non-isothermal, and pressure-driven. The two-phase (gas and solids) model includes rigorous kinetics and heat and mass transfer between the two phases. Flow characteristics of the gas and solids in the moving bed are obtained by analogy with correlations for fixed and fluidized bed systems. From the steady-state perspective, this work presents the impact of key design variables that can be used for optimization. From the dynamic perspective, the article shows transient profiles of key outputs that should be taken into account while designing an effective control system. Additionally, the article also presents performance of a model predictive controller for the moving bed regenerator under process constraints.

42 ENGINEERING↗
DOE OSTI2020

Mathematical Model of ATM Activation and Chromatin Relaxation by Ionizing Radiation

We propose a comprehensive mathematical model to study the dynamics of ionizing radiation induced Ataxia-telangiectasia mutated (ATM) activation that consists of ATM activation through dual mechanisms: the initiative activation pathway triggered by the DNA damage-induced local chromatin relaxation and the primary activation pathway consisting of a self-activation loop by interplay with chromatin relaxation. The model is expressed as a series of biochemical reactions, governed by a system of differential equations and analyzed by dynamical systems techniques. Radiation induced double strand breaks (DSBs) cause rapid local chromatin relaxation, which is independent of ATM but initiates ATM activation at damage sites. Key to the model description is how chromatin relaxation follows when active ATM phosphorylates KAP-1, which subsequently spreads throughout the chromatin and induces global chromatin relaxation. Additionally, the model describes how oxidative stress activation of ATM triggers a self-activation loop in which PP2A and ATF2 are released so that ATM can undergo autophosphorylation and acetylation for full activation in relaxed chromatin. In contrast, oxidative stress alone can partially activate ATM because phosphorylated ATM remains as a dimer. The model leads to predictions on ATM mediated responses to DSBs, oxidative stress, or both that can be tested by experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Mathematical Model For Scattering From Mirrors

Additional terms account for effects of particulate contamination. Semiempirical mathematical model of scattering of light from surface of mirror gives improved account of effects of particulate contamination. Models that treated only scattering by microscopic irregularities in surface gave bidirectional reflectance distribution functions differing from measured scattering intensities over some ranges of angles.

Wang, Yaujen↗
NASA NTRS1991

A mathematical model of the maximum power density attainable in an alkaline hydrogen/oxygen fuel cell

A mathematical model of a hydrogen/oxygen alkaline fuel cell is presented that can be used to predict the polarization behavior under various power loads. The major limitations to achieving high power densities are indicated and methods to increase the maximum attainable power density are suggested. The alkaline fuel cell model describes the phenomena occurring in the solid, liquid, and gaseous phases of the anode, separator, and cathode regions based on porous electrode theory applied to three phases. Fundamental equations of chemical engineering that describe conservation of mass and charge, species transport, and kinetic phenomena are used to develop the model by treating all phases as a homogeneous continuum.

Kimble, Michael C.↗
DOE OSTI2018

A Multi-scale Mathematical Model of Growth and Coalescence of Bubbles Beneath the Anode in an Aluminum Reduction Cell

Modeling of bubble shapes is challenging because of the wide range of length scales in aluminum reduction cells. A 3D multi-scale mathematical model was developed to understand the nucleation, growth and coalescence of bubbles beneath the anode and to investigate the transition of bubbles from the micro- to macro level. The motion of micro-bubbles is examined using the discrete bubble model (DBM) within a Lagrangian reference. An algorithm for the transition from discrete micro-bubbles to large bubbles, which are fully resolved by the volume of fluid (VOF) approach, is achieved using a user-defined function. The two-way coupling between discrete bubbles and continuous fluids is achieved by inter-phase momentum exchange. The model involves three kinds of bubble coalescence: micro-bubble coalescence is taken into account by the DBM; large bubbles swallowing up micro-bubbles are solved by the discrete-continuum transition model; the coalescence between large bubbles is handled by the VOF method. Numerical results show that the coverage and thickness of bubbles agree well with the experimental data in the literature. Bubble thickness stops increasing when the bubble elongates with the anode bottom, which is 4.0 to 4.5 mm. Meanwhile, two asymmetrical thick heads can be observed under the anode. Bubble release frequency increases with increasing current density.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Mathematical model for burden distribution in blast furnace

Burden distribution in a blast furnace is vital to its smooth running. However, it is difficult to directly measure the burden distribution for an operating blast furnace. Therefore, mathematical models have been applied to guide the charging process to achieve the desired burden distribution. The accuracies of such models depend on the prediction of falling curve, stockline profile formation, and burden descent mode. Here, a new stockline profile formation model is proposed in which new equations have been developed for the inner and outer repose angle by considering the influence of the burden flow's vertical and horizontal velocity at the apex of the stockline profile. Furthermore, validation of this new stockline profile formation model is provided through comparison between calculated results and experimental data for stockline profile. A stepped burden descending strategy, in which the burden would descend through a specified distance after each ring charging process, is proposed corresponding to the successive charging process. The influence of the burden descending strategy on the falling point, the final burden profile and radial depth ratio of ore to coke is also analysed. Our results show that the burden descending strategy greatly affects the final burden distribution, especially in the peripheral region.

42 ENGINEERING↗
NASA NTRS1981

Aerodynamic mathematical modeling - basic concepts

This lecture is a review of the basic concepts involved In the mathematical modeling of the aerodynamic response of an aircraft to arbitrary maneuvers. The review leads from Bryan's original formulation through the concepts of linear aerodynamic indicial functions and superposition to the extension of these concepts into the nonlinear regime. The nonlinear generalization yields a form for the aerodynamic response that can be built up from the responses to a limited number of well-defined characteristic motions, reproducible in principle either in wind-tunnel experiments or flow-field computations. A further generalization leads to a torn, accommodating the discontinuous and double-valued behavior characteristic of hysteresis in the steady-state aerodynamic response

Murray Tobak↗
NASA NTRS1995

Development and validation of a blade-element mathematical model for the AH-64A Apache helicopter

A high-fidelity blade-element mathematical model for the AH-64A Apache Advanced Attack Helicopter has been developed by the Aeroflightdynamics Directorate of the U.S. Army's Aviation and Troop Command (ATCOM) at Ames Research Center. The model is based on the McDonnell Douglas Helicopter Systems' (MDHS) Fly Real Time (FLYRT) model of the AH-64A (acquired under contract) which was modified in-house and augmented with a blade-element-type main-rotor module. This report describes, in detail, the development of the rotor module, and presents some results of an extensive validation effort.

Mansur, M. Hossein↗
DOE OSTI2016

Mathematical modeling of quartz particle melting process in plasma-chemical reactor

Among silica-based materials vitreous silica has a special place. The paper presents the melting process of a quartz particle under conditions of low-temperature plasma. A mathematical model is designed for stages of melting in the experimental plasma-chemical reactor. As calculation data show, quartz particles having the radius of 0.21≤ r{sub p} ≤0.64 mm completely melt at W = 0.65 l/s particle feed rate depending on the Nusselt number, while 0.14≤ r{sub p} ≤0.44 mm particles melt at W = 1.4 l/s. Calculation data showed that 2 mm and 0.4 mm quartz particles completely melted during and 0.1 s respectively. Thus, phase transformations occurred in silicon dioxide play the important part in its heating up to the melting temperature.

42 ENGINEERING↗