Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “mixture experiment models”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Computational Tools to Design Molten Salt Electrolytes for High-Temperature Environments

Current Li-ion batteries are designed for a small operating window of 5 °C to 55 °C. Modifications to the electrolyte for operation in Mars atmosphere extended this range on the lower bound to ~ -40 °C. These operating-temperature ranges are far from those presented in high-temperature environments, such as the Venus surface, where temperatures are around 450 °C. Protecting the state-of-the-art Li-ion batteries require insulations that decreases the volumetric capacity and limiting the operational time-window. These unique challenges require a paradigm shift in materials used for designing high-temperature batteries. Molten salt electrolyte-based batteries offer a plausible route to designing high-temperature batteries. ZEBRA batteries are known to be one of the safest energy storage devices operating at 270-350 °C. Nitrate based eutectics, operating at 150 °C have also been used in Li-O2 batteries. In this study, we will examine molten-salt electrolyte transport and electrochemical properties using first-principles computations and benchmark against experiments. Further, we will present thermodynamics-based models for designing and predicting melting point of molten salt mixtures. Based on these computational tools, new molten salt mixtures designed with desired operating temperatures and electrochemical windows will be presented. Implications of these new eutectics in the context of high-temperature environment exploration will also be discussed.

Balachandran Radhakrishnan↗
DOE OSTI2021

Autoignition study of iso -cetane/tetralin blends at low temperature

iso-Cetane and tetralin are the two fuel components commonly considered in literature diesel surrogates, and are hydrocarbon classes representative of iso-alkanes and naphthoaromatics, respectively. Since both surrogate components are involved in the key reactions controlling the autoignition reactivity of diesel surrogates, autoignition studies of iso-cetane, tetralin, and their blending behavior at low temperatures can be helpful in developing/refining chemical kinetic models of diesel surrogates, in order to better predict diesel ignition response under low temperature combustion conditions. In this investigation, autoignition experiments of iso-cetane, tetralin, and their binary mixtures at varying blending ratios have been conducted in a rapid compression machine (RCM) in the temperature/pressure range of 630–930 K and 10–20 bar. For the neat fuel components, the newly-acquired RCM data have been compared with the literature experimental results at some overlapping conditions. In addition, a chemical kinetic model describing the oxidation of iso-cetane and tetralin compiled/updated from the diesel surrogate model developed by Lawrence Livermore National Laboratory is used to simulate the experimental datasets. It is shown that this model exhibits good agreement with the experimental results of tetralin and also predicts the total ignition delay times of iso-cetane at lower temperatures reasonably well. However, the current model fails to fully capture the increase of total ignition delay time with increasing amount of tetralin in the binary blends observed in the present RCM experiments. Therefore, chemical kinetic analyses of the current model are conducted to help identify possible reasons leading to the discrepancies between simulations and experiments. Furthermore, the chemical kinetic interactions between iso-cetane and tetralin are explored by including additional cross-reactions among iso-cetane, tetralin, and their fuel fragments in the current model to assess their effects on model predictions. As a result, based on the chemical kinetic analysis results, future direction for model refinements is discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1983

Viscosity of rock-ice mixtures and applications to the evolution of icy satellites

Theory and experiments are used to establish lower and upper bounds on the ratio of actual viscosity to pure ice viscosity for a suspension of rock particles in a water ice matrix. A rheological model for rock-ice mixtures is described, establishing bounds for the range of possible viscosity enhancements provided by a suspension of silicate spheres in an ice matrix. A parametrized thermal convection model is described and used to determine a criterion for criticality, defined as the heat flow and/or silicate volume fraction for which the satellite temperature profile intercepts the melting curve of water ice. The consequences of achieving this critical state are examined, and it is shown that under certain circumstances a 'runaway' differentiation can occur in which the silicates settle to form a core and extensive melting of water ice takes place, the latent heat being supplied by the gravitational energy of differentiation. A possible application of these results to Ganymede and Callisto is described.

Friedson, A. J.↗
DOE OSTI2023

DME-Propane Ignition Delay Time Measurements at Mixing Controlled Compression Ignition Engine-Relevant Conditions

The blend of dimethyl ether (DME, CH 3 OCH 3 ) and propane (C 3 H 8 ) is a potentially renewable fuel mixture that has the potential to replace diesel in compression ignition engines. The combination can potentially reduce particulate and greenhouse gas emissions compared to a conventional diesel engine operating under similar conditions. However, detailed conceptual and simulation studies must be conducted before adopting a new fuel on a compression ignition engine. For these simulations, accurate chemical kinetic models are necessary. However, the validity of chemical kinetic mechanisms in the literature is unknown for mixing controlled compression ignition (MCCI) engine operating conditions. Hence, in this work, we studied the ignition of dimethyl ether (DME) and propane blends in a shock tube at MCCI engine conditions. Ignition delay time (IDT) data was collected behind the reflected shock for DME-propane mixtures for heavy-duty compression ignition (CI) engine parameters. Undiluted experiments spanning temperatures of 700 to 1100 K and pressures of 55 to 84 bar for various blends (100% CH 3 OCH 3 / 0% C 3 H 8, 100% C 3 H 8 / 0% CH 3 OCH 3 , 60% CH 3 OCH 3 / 40% C 3 H 8 ) of DME and propane were combusted in synthetic air (21% O 2 / 79% N 2 ). Some experiments were conducted at higher pressures (90-120 bar) to understand model performance at these conditions. Comparisons of IDT were made with the predictions of recent chemical kinetic mechanisms for DME-propane mixture, including the Aramco3.0, NUIG, and Dames et al. mechanisms. All mechanisms overpredicted IDT compared to experimental values. Sensitivity analysis was conducted with Dames et al. model, and critical reactions sensitive to IDT of DME-propane mixture near 100 bar are outlined.

Mohammed, Zuhayr Pasha↗
DOE OSTI2023

Separation of volatile organic contaminants from water using a direct-contact dehumidifier: An experimental study and modeling

A packed-bed, direct-contact dehumidifier (PB-DCD) has been developed to selectively condense water from a gaseous mixture of organic contaminants. In this process, hot air is humidified by mixing with wastewater vapor in a static mixer and is dehumidified by subcooled fresh water passing through the PB-DCD in a counter-current configuration. The goal of this study is to understand the relationship between various operating parameters and how they affect separation of isopropyl alcohol (IPA) from the gaseous mixture with the purpose of expanding the investigation to other contaminants in the future. The process has been successfully used to separate IPA from wastewater. Different parameters including the concentration of IPA in water, feed temperature, air-to-vapor ratio, and cooling-water-to-vapor mass ratio, as well as residence time were examined to determine their influence on contaminant separation and clean water recovery rate. The Buckingham Pi theorem was applied to reduce the number of studying variables by generating non-dimensional groups. Experiments were performed to determine the relationship between the non-dimensional parameters and model mass transfer in the system. Mass transfer coefficients for multicomponent gaseous mixture condensation in a packed-bed direct contact condenser column are calculated and a modified correlation of mass transfer is developed. The parameters of the mass transfer model are obtained from operating conditions of the PB-DCD, stream conditions and thermodynamic properties. A modified Sherwood correlation is developed to predict IPA separation from a gaseous mixture consisting of air, water, and IPA. The modified Sherwood correlation is applied to successfully predict the Sherwood number with a mean absolute error equal to 6.6 %. According to the experimental results, the maximum IPA separation achieved was 76.3 %, which corresponds to a water recovery rate of 58.7 %.

42 ENGINEERING↗
NASA NTRS1986

Experimental basis for a Titan probe organic analysis

The recent Voyager flyby of Titan produced evidence for at least nine organic compounds in that atmosphere that are heavier than methane. Several models of Titan's atmosphere, as well as laboratory simulations, suggest the presence of organics considerably more complex that those observed. To ensure that the in situ measurements are definitive with respect to Titan's atmosphere, experiment concepts, and the related instrumentation, must be carefully developed specifically for such a mission. To this end, the possible composition of the environment to be analyzed must be bracketed and model samples must be provided for instrumentation development studies. Laboratory studies to define the optimum flight experiment and sampling strategy for a Titan entry probe are currently being conducted. Titan mixtures are being subjected to a variety of energy sources including high voltage electron from a DC discharge, high current electric shock, and laser detonation. Gaseous and solid products are produced which are then analyzed. Samples from these experiements are also provided to candidate flight experiments as models for instrument development studies. Preliminary results show that existing theoretical models for chemistry in Titan's atmosphere cannot adequetely explain the presence and abundance of all trace gases observed in these experiments.

Mckay, C. P.↗
DOE OSTI2024

Anomaly Detection in Connected and Autonomous Vehicle Trajectories Using LSTM Autoencoder and Gaussian Mixture Model

Connected and Autonomous Vehicles (CAVs) technology has the potential to transform the transportation system. Although these new technologies have many advantages, the implementation raises significant concerns regarding safety, security, and privacy. Anomalies in sensor data caused by errors or cyberattacks can cause severe accidents. To address the issue, this study proposed an innovative anomaly detection algorithm, namely the LSTM Autoencoder with Gaussian Mixture Model (LAGMM). This model supports anomalous CAV trajectory detection in the real-time leveraging communication capabilities of CAV sensors. The LSTM Autoencoder is applied to generate low-rank representations and reconstruct errors for each input data point, while the Gaussian Mixture Model (GMM) is employed for its strength in density estimation. The proposed model was jointly optimized for the LSTM Autoencoder and GMM simultaneously. The study utilizes realistic CAV data from a platooning experiment conducted for Cooperative Automated Research Mobility Applications (CARMAs). The experiment findings indicate that the proposed LAGMM approach enhances detection accuracy by 3% and precision by 6.4% compared to the existing state-of-the-art methods, suggesting a significant improvement in the field.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Data-Efficient Methods for Determining Flory–Huggins χ Parameters in Multicomponent Polymer Formulations

Polymer formulations are essential in diverse applications including personal care products, coatings, paints, adhesives, and plastic materials. Designing these formulations requires navigating large, complex design spaces, where phase and self-assembly behavior critically impact performance. The Flory–Huggins χ parameter, which quantifies segmental miscibility, is widely used to parametrize the excess free energy of mixing in formulation models. In this work, we introduce two data-efficient, top-down methods for estimating χ parameters using the Random Phase Approximation (RPA): (i) Boundary Nonlinear Regression (Boundary-NLR), which fits theoretical spinodal boundaries to experimental phase boundaries, and (ii) Surrogate Model Inverse Parameter Estimation (SMIPE), which uses a Gaussian Process Classifier to fit sparse phase maps via a surrogate model. Both methods allow rapid parametrization of polymer field-theoretic models without the need for additional experiments. We evaluate these approaches on data sets involving polymer–solvent–nonsolvent ternary mixtures and block copolymer–solvent systems, demonstrating their robustness to experimental noise and their relevance for real-world formulation design.

copolymers↗
NASA NTRS1982

Dynamic effects of combustion

The dynamic effects of combustion are due to the evolution of exothermic energy and its deposition in the compressible medium where the process takes place. The paper examines the dynamics of combustion phenomena, including ignition, turbulent flame propagation (inflammation), explosion, and detonation, with emphasis on their exothermic characteristics. Ignition and explosion are treated as problems of nonlinear mechanics, and their dynamic behavior is described in terms of phase space models and cinematographic laser shear interferograms. The results of a numerical random vortex model of turbulent flame propagation are confirmed in a combustion tunnel experiment, where it was observed that a fresh mixture of burnt and unburnt gases can sustain combustion with a relatively small expenditure of overall mass flow, due to the increasing specific volume of burnt gases inside the flame front. An isentropic pressure wave is found to precede the accelerating flame in the process of detonation, and components of this presssure wave are shown to propagate at local sonic velocities.

Oppenheim, A. K.↗
NASA NTRS1985

Chemistry of the outer planets: Investigations of the chemical nature of the atmosphere of Titan

It is clear from the experiments that a variety of complex organic models can be produced by lightning in a Titan-like gas mixture. The dominant products were found to be acetylene and hydrogen cyanide, with smaller amounts of many other species. Any aerosol produced by lightning inititated process will consist of a complex mixture of organic compounds, many of which should easily be identified by pyrolytic gas chromatography. Work will continue to expand the data base of molecules produced by lightning and other processes in order to assist in the design of appropriate analytical instruments for the upcoming Saturn/Titan mission and any other planetary probes.

Scattergood, Thomas W.↗
NASA NTRS1993

Multiple solutions in a rotating annulus flow model

A series of numerical experiments is conducted for rotating annulus flow using Miller et al.'s (1992) Geophysical Flow Simulation (GFS) model; a mixture of 25-percent upwind-differencing and 75-percent center-differencing is employed to approximate the temperature advective terms. Attention is given to the wavenumber selection time and wavenumber regimes, the sensitivity in the wavenumber transition regions, and hysteresis and irregular wavenumber selections.

Lu, Huei-Iin↗
DOE OSTI2023

Targeted rRNA depletion enables efficient mRNA sequencing in diverse bacterial species and complex co-cultures

Bacterial mRNA sequencing is inefficient due to the abundance of ribosomal RNA that is challenging to deplete. While commercial kits target rRNA from common bacterial species, they are frequently inefficient when applied to divergent species, including those from environmental isolates. Similarly, other methods typically employ large probe sets that tile the entire length of rRNAs; however, such approaches are infeasible when applied to many species. Therefore, we present EMBR-seq+, which requires fewer than 10 oligonucleotides per rRNA by combining rRNA blocking primers with RNase H-mediated depletion to achieve rRNA removal efficiencies of up to 99% in diverse bacterial species. Furthermore, in more complex microbial co-cultures between Fibrobacter succinogenes strain UWB7 and anaerobic fungi, EMBR-seq+ depleted both bacterial and fungal rRNA, with a fourfold improvement in bacterial rRNA depletion compared with a commercial kit, thereby demonstrating that the method can be applied to non-model microbial mixtures. Notably, for microbes with unknown rRNA sequences, EMBR-seq+ enables rapid iterations in probe design without requiring to start experiments from total RNA. Finally, efficient depletion of rRNA enabled systematic quantification of the reprogramming of the bacterial transcriptome when cultured in the presence of the anaerobic fungi Anaeromyces robustus or Caecomyces churrovis. We observed that F. succinogenes strain UWB7 downregulated several lignocellulose-degrading carbohydrate-active enzymes in the presence of anaerobic gut fungi, suggesting close interactions between two cellulolytic species that specialize in different aspects of biomass breakdown. Thus, EMBR-seq+ enables efficient, cost-effective, and rapid quantification of the transcriptome to gain insights into non-model microbial systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Incorporating polar field data for improved solar flare prediction

In this paper, we consider incorporating data associated with the sun’s north and south polar field strengths to improve solar flare prediction performance using machine learning models. When used to supplement local data from active regions on the photospheric magnetic field of the sun, the polar field data provides global information to the predictor. While such global features have been previously proposed for predicting the next solar cycle’s intensity, in this paper we propose using them to help classify individual solar flares. We conduct experiments using HMI data employing four different machine learning algorithms that can exploit polar field information. Additionally, we propose a novel probabilistic mixture of experts model that can simply and effectively incorporate polar field data and provide on-par prediction performance with state-of-the-art solar flare prediction algorithms such as the Recurrent Neural Network (RNN). Our experimental results indicate the usefulness of the polar field data for solar flare prediction, which can improve Heidke Skill Score (HSS2) by as much as 10.1%.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Impact of Variable Gas Mixtures on Bubble Size Distribution and Mass Transfer in Gas Fermentation Reactors

Gas fermentation has emerged as a promising new technology for the generation of fuels and chemicals from mixtures of greenhouse and energy rich gas streams (CO2/CH4/H2/CO) via microbial bioreaction. Example pathways include biomethanation (CO2/H2 to CH4), biogas upgrading, CO fermentation and wet-waste conversion. Effective Gas-liquid mass-transfer is an important physical phenomenon that determines the design and scale-up of these systems. There is currently a knowledge-gap regarding bubble-size distributions when using a mixture of gases with vastly different properties, which can have a significant impact on overall mass-transfer. For example, hydrogen bubbles are more buoyant compared to other relatively heavier gases (CO2/CH4/CO), resulting in a large distribution of residence times and bubble sizes. This work therefore develops a deeper understanding of bubble dynamics and interphase mass transfer in such heterogenous gas mixtures through well-resolved computational models. We use a detailed multiphase computational-fluid-dynamics (CFD) model to study the impact of gas-mixtures on overall mass-transfer in bubble column and air-lift reactors. The CFD tool previously developed by the authors (1) for simulating aerobic fermentation reactors at scale is used in this study. The Reynolds-averaged mass, momentum, energy, and species transport equations are solved for interpenetrating gas and liquid phase in this model. We use a population balance-based bubble-size-distribution model that is validated against small-scale experiments in our solver. Results pertaining to multiple simulations of gas-fermentation reactors are presented where gas mixtures with varying compositions of CO2/CH4/CO/H2 are imposed at the sparger boundaries. The spatio-temporal variations in bubble-size distribution and mass transfer coefficient is analyzed for varying superficial velocities and gas-compositions for varying sizes of bubble-column and airlift reactors.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗
DOE OSTI2015

What dynamics can be expected for mixed states in two-slit experiments?

Weak-measurement-based experiments (Kocsis et al., 2011) have shown that, at least for pure states, the average evolution of independent photons in Young’s two-slit experiment is in compliance with the trajectories prescribed by the Bohmian formulation of quantum mechanics. But, what happens if the same experiment is repeated assuming that the wave function associated with each particle is different, i.e., in the case of mixed (incoherent) states? This question is investigated here by means of two alternative numerical simulations of Young’s experiment, purposely devised to be easily implemented and tested in the laboratory. Contrary to what could be expected a priori, it is found that even for conditions of maximal mixedness or incoherence (total lack of interference fringes), experimental data will render a puzzling and challenging outcome: the average particle trajectories will still display features analogous to those for pure states, i.e., independently of how mixedness arises, the associated dynamics is influenced by both slits at the same time. Physically this simply means that weak measurements are not able to discriminate how mixedness arises in the experiment, since they only provide information about the averaged system dynamics. - Highlights: • The dynamics associated with mixture states in investigated by means of two simple Young’s two-slit models. • The models are prepared to be easily implemented and tested in the laboratory by means of weak measurements. • Bohmian mechanics has been generalized to encompass statistical mixtures. • Even for conditions of maximal mixedness numerical simulations show that the dynamics is strongly influenced by both slits. • Accordingly, weak measurements are unable to discriminate how mixedness arises in an experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Effect of pore penetration on transport through supported membranes studied by electron microscopy and pervaporation

It has long been recognized that the performance of supported membranes comprising a thin, selective layer and a microporous support layer, is affected by penetration of the selective layer into the porous support. We have attempted to shed light on this phenomenon using a combination of pervaporation experiments and hard angle dark-field scanning transmission electron microscopy (HAADF-STEM). We use a nanophase-separated polystyrene-b-polydimethylsiloxane-b-polystyrene (SDS) as the selective layer and microporous polytetrafluoroethylene (PTFE) as the support layer. Effective permeabilities of butanol and water were measured as a function of selective layer thickness using a dilute butanol/water mixture as the feed in pervaporation. We were able to estimate the pore penetration layer thickness by comparing experiments with model calculations. We were also able to directly observe the pore penetration by HAADF-STEM. The choice in using a nanophase-separated block copolymer as the selective layer enabled identification of the regions of pore penetration. In conclusion, the pore penetration layer thickness obtained from the HAADF-STEM micrographs corresponded well with estimates based on pervaporation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The effect of organic acids on wettability of sandstone and carbonate rocks

This paper examines the role of crude oil’s organic acid surface active compounds (SAC) in determining the reservoir wettability over a range of salinities and temperatures. To isolate the effects of individual SACs, this project used model oil mixtures of pure decane and single SACs to represent the oleic phase. Due to the large number of experiments in this study, we used wettability measurement method by the modified flotation technique (MFT) to produce fast, reliable, and quantitative results. The results showed that oil wetting by decane increased with temperature for carbonate rocks. Sandstones oil wetting showed little temperature dependency. The presence of long-chained acids in decane increased oil wetting in sandstone and carbonate rocks as salinity was lowered, while the short-chained acid increased water wetting under the same conditions. The effect of organic acids on wettability was slightly enhanced with increasing temperature for all rock types.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Measurements of continuum lowering in solid-density plasmas created from elements and compounds

The effect of a dense plasma environment on the energy levels of an embedded ion is usually described in terms of the lowering of its continuum level. For strongly coupled plasmas, the phenomenon is intimately related to the equation of state; hence, an accurate treatment is crucial for most astrophysical and inertial-fusion applications, where the case of plasma mixtures is of particular interest. In this study, we present an experiment showing that the standard density-dependent analytical models are inadequate to describe solid-density plasmas at the temperatures studied, where the reduction of the binding energies for a given species is unaffected by the different plasma environment (ion density) in either the element or compounds of that species, and can be accurately estimated by calculations only involving the energy levels of an isolated neutral atom. Lastly, the results have implications for the standard approaches to the equation of state calculations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗