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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Reexamining supercritical gas adsorption theories in nano-porous shales under geological conditions

Adsorption is an important phenomenon in surface chemistry, especially for nano-porous shales. In the shale gas-in-place, adsorbed gas could contribute up to 85%. However, adsorption is hard to quantitatively characterize due to different adsorption mechanisms, patterns, surfaces, and pore sizes. Moreover, key thermodynamic parameters, such as the enthalpy of adsorption, are challenging to determine due to uncertainties in adsorbed gas densities used in constructing absolute isotherms. In this paper, we revisit the Brunauer, Emmett, and Teller (BET) model, analytically simplify Ono-Kondo (OK) models for subsurface shales, and compare commonly used mono- and multilayer adsorption models (e.g., Langmuir, supercritical Dubinin-Radushkevich (SDR), supercritical BET (SBET), and simplified OK (OKs) models) with recently proposed pressure-dependent adsorption densities to develop a practical and reliable methodology that can be used in the supercritical state, typical for subsurface black shale conditions.Three independent data sets were used for nitrogen and methane adsorption isotherms at different temperatures. Furthermore, we demonstrate that adsorption predicted by the SDR model is comparable or lower than that predicted by the SBET model, but higher than the amounts predicted by Langmuir and OK models. The nitrogen BET method tends to underestimate the accessible SSA for methane. Measurement of isosteric heat of adsorption is suggested instead of the experimental fitting method, due to the significant difference between the calculated results by two commonly used methods. Experimental fitting and simulation methods are also briefly reviewed to guide future research on shale gas adsorption.

58 GEOSCIENCES↗
DOE OSTI2022

Iron corrosion in the “inert” supercritical CO 2 , ab initio dynamics insights: How impurities matter

Metal corrosion from exposure to supercritical fluids is a long-standing challenge lacking atomistic understanding for effective corrosion prevention in diverse important applications. Here, in this work, reactions relevant to corrosion in supercritical CO 2 (sCO 2 ), with H 2 O and NO 2 as impurities, are revealed using ab initio molecular dynamics and enhanced sampling methods. While little reactivity is observed in bulk sCO 2 , the iron surface is found to play a crucial almost-catalytic role in its own corrosion, activating the inert CO2 and hence facilitating $\ast$HCO 3 – and $\ast$CO 3 2– formation at the interface. Moreover, the hydrogen bond network of $\ast$H 2 O assists the H shuttling to the activated CO 2 and impurities, forming reactive species observed in experiments. Such atomistic insight elucidates the reaction mechanisms of metal corrosion in aqueous and supercritical fluids and can point to possible remedies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Beneficiation of coal using supercritical water and carbon dioxide extraction: sulfur removal

Abstract This work explores the use of carbon dioxide, water, and their mixtures as solvent for the precombustion beneficiation of raw coal without using any toxic mineral acids in the temperature range of 200–400 °C. The fluid polarity, ionic constant, and supercritical point can be adjusted by H 2 O/CO 2 ratio and temperature. Adding carbon dioxide to hydrothermal fluid also increases the ionization by forming carbonic acid. Extractions with supercritical fluids have several benefits including enhanced mass transport, ease of separation and recycle, wide range of extractive capability and tunability, better inherent safety, and in the case of carbon dioxide and water–low cost. A semi-continuous extraction system was designed and built in which pressure, temperature and the relative flow rates of CO 2 and H 2 O can be controlled. Coal powder is kept in a packed bed and the extraction is carried out at 143 bar pressure. Using sulfur as a model heteroatom, extractive efficiency is examined as a function of the temperature, fluid composition, fluid flow, and extraction time. The results indicate that carbon dioxide, water, and supercritical water-carbon dioxide (ScWC) all can effectively extract about 50% of total sulfur from bituminous coal in 1 h. Extraction above 350 °C decreased effectiveness, and extraction above the supercritical point of pure water caused hydrothermal carbonization. ScWC extraction may provide necessary control to prevent organic dissolution while removing sulfur.

DeCuir, Matthew J.↗
DOE OSTI2020

Volumetric efficiency and pressure pulsations of a triplex reciprocating supercritical CO 2 pump

A reciprocating triplex pump has been integrated into a closed-loop supercritical carbon dioxide test facility. The pump is designed to compress liquid or supercritical carbon dioxide and has a maximum volumetric flow rate of 51 L/min. A sweep across the pump’s speed range of 100–1000 rev/min was performed with inlet conditions between 60 and 160 bar. The volumetric efficiency was found to increase as pump speed increased from 10 to 40 % before it plateaued at higher pump speeds. The mechanical efficiency increased linearly with pump speed and was not affected by system pressure. Pressure pulsations caused by the plungers and valves were also measured at each speed. Additionally, a 35-liter buffer volume, connected near the pump’s discharge was isolated at each speed to determine its effectiveness as a pulsation dampener. Overall the reciprocating pump was shown to perform exceptionally with liquid or supercritical inlet conditions applicable to many supercritical fluid applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chemistry and Dynamics of Supercritical Carbon Dioxide and Methane in the Slit Pores of Layered Silicates

In the mid 2010s, high-pressure diffraction and spectroscopic tools opened a window into the molecular-scale behavior of fluids at the conditions of many CO 2 sequestration and shale/tight gas reservoirs - conditions where CO 2 and CH 4 are present as variably wet supercritical fluids. Integrating high-pressure spectroscopy and diffraction with molecular modeling has revealed much about the ways that supercritical CO 2 and CH 4 behave in reservoir components, particularly in the slit-shaped micro- and meso-pores of layered silicates (phyllosilicates) abundant in caprocks and shales. This Account summarizes how supercritical CO 2 and CH 4 behave in the slit pores of swelling phyllosilicates as functions of the H 2 O activity, framework structural features, and charge-balancing cation properties at 90 bar and 323 K – conditions similar to a reservoir at ~1 km depth. Slit pores containing cations with large radii, low hydration energy, and large polarizability readily interact with CO 2 , allowing CO 2 and H 2 O to adsorb and co-exist in these interlayer pores over a wide range of fluid humidities. In contrast, cations with small radii, high hydration energy, and low polarizability weakly interact with CO 2 leading to reduced CO 2 uptake and a tendency to exclude CO 2 from interlayers when H 2 O is abundant. The reorientation dynamics of confined CO 2 depends on the interlayer pore height, which is strongly influenced by the cation properties, framework properties, and fluid humidity. The silicate structural framework also influences CO 2 uptake and behavior - for example, smectites with increasing F-for-OH substitution in the framework take up greater quantities of CO 2 . Reactions that trap CO 2 in carbonate phases have been observed in thin H 2 O films near smectite surfaces, including a dissolution-reprecipitation mechanism when the edge surface area is high and an ion exchange-precipitation mechanism when the interlayer cation can form a highly insoluble carbonate. In contrast, supercritical CH 4 does not readily associate with cations, does not react with smectites, and is only incorporated into interlayer slit mesopores when (i) the pore has a $z$-dimension large enough to accommodate CH 4 , (ii) the smectite has low charge and (iii) the H 2 O activity is low. In conclusion, the adsorption and displacement of CH 4 by CO 2 and vice-versa have been studied on the molecular scale in one shale, but opportunities remain to examine behavioral details in this more complicated, slit-pore inclusive system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effects of Supercritical CO 2 Injection on the Shale Pore Structures and Mass Transport Rates

Characterizing the pore structures and transport properties of low-permeability shales is critical for evaluating these formations as potential seals or storage sites for geological CO 2 sequestration. Here, we use low-pressure gas adsorption in conjunction with nuclear magnetic resonance (NMR) to characterize the pore-size distribution of shales before and after injection of supercritical CO 2 . Nitrogen gas was used as the detecting phase for the adsorption experiments and pentane liquid was used for the NMR experiments. We also performed time-resolved NMR and gravimetric microbalance measurements to observe mass transport during desaturation. We use these data to estimate the self-diffusion coefficient of pentane and changes in the saturation state of the pore network. We analyzed samples with a range of compositions from the Wolfcamp shale before and after exposure to supercritical CO 2 for 3 days. Integrating the gas adsorption and NMR data shows how supercritical CO 2 injection alters the pore-size distribution for pore sizes <1 nm to 1 mm. Finally, our results provide insights on how the pore structure and mass transport properties of different shale lithologies may evolve during storage of supercritical CO 2 .

58 GEOSCIENCES↗
DOE OSTI2023

The Local Electronic Structure of Supercritical CO 2 from X-ray Raman Spectroscopy and Atomistic-Scale Modeling

Supercritical CO 2 is encountered in several technical and natural systems related to biology, geophysics, and engineering. While the structure of gaseous CO 2 has been studied extensively, the properties of supercritical CO 2 , particularly close to the critical point, are not well-known. Here, in this work, we combine X-ray Raman spectroscopy, molecular dynamics simulations, and first-principles density functional theory (DFT) calculations to characterize the local electronic structure of supercritical CO 2 at conditions around the critical point. The X-ray Raman oxygen K-edge spectra manifest systematic trends associated with the phase change of CO 2 and the intermolecular distance. Extensive first-principles DFT calculations rationalize these observations on the basis of the 4sσ Rydberg state hybridization. X-ray Raman spectroscopy is found to be a sensitive tool for characterizing electronic properties of CO 2 under challenging experimental conditions and is demonstrated to be a unique probe for studying the electronic structure of supercritical fluids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Influence of Equation-of-States on Supercritical CO2 Combustion Mixtures

Abstract Fossil fuel based direct-fired supercritical CO2 (sCO2) cycles are gaining the attention of industry, academia, and government due to their remarkable efficiency and carbon capture at high-source temperatures. Modeling plays an important role in the development of sCO2 combustors because experiments are very expensive at the designed operating conditions of these direct-fired cycles. Inaccurate density estimates are detrimental to the simulation output. Hence, this work focuses on comprehensive evaluation of the influence and applicability of various equation-of-states (EOS) which are being used in the supercritical combustion modeling literature. A state-of-the-art supercritical combustion modeling methodology is used to simulate counter-flow supercritical CO2 flames by using various equation-of-states. The results show that using the corresponding state principle to evaluate compressibility factor is not accurate. Also, van der Waal type EOSs predictions can be as accurate as complex Benedict–Webb–Rubin EOSs; hence van der Waal EOSs are more suitable to simulate sCO2 combustor simulations. Non-ideal effects are significant under the operating conditions considered in this work. The choice of EOS significantly influences the flame structure and heat release rate. Also, assuming the binary interaction parameter as zero is reasonable in sCO2 combustion simulations.

Energy & Fuels↗
NASA NTRS1974

Review of NASA supercritical airfoils

NASA supercritical airfoils are characterized by a substantially reduced curvature of the midcord region of the upper surface together with increased camber near the trailing edge. The basic aerodynamic phenomena associated with the airfoils and representative wind tunnel results are discussed. The results indicate that the drag rise Mach numbers for NASA supercritical airfoils are 0.1 higher than for comparable NACA 6-series airfoils. A recent analytic method for predicting the aerodynamic characteristics of supercritical airfoils is described. The flight demonstration programs of three applications of supercritical airfoils utilizing the F-8, T-2C and F-111 as test beds are summarized.

Whitcomb, R. T.↗
NASA NTRS1973

Preliminary lift and drag characteristics of the F-8 supercritical wing airplane

A flight research program is being conducted using a supercritical wing attached to a modified F-8 fuselage to demonstrate the potential benefits of the supercritical wing concept in a realistic cruise flight environment. One of the primary goals of the flight program is to determine the drag-divergence Mach number, that is, the Mach number at which the total vehicle drag increases significantly. Another objective of the program is to show how well wind-tunnel data can be used to predict the performance of a supercritical wing configuration in the transonic Mach number region from 0. 9 to 1. 0. Comparisons of this nature are important in view of the uncertainties in the present methods for extrapolating wind-tunnel-model data to flight Reynolds numbers, determining the effect of wall interference on the model results, and simulating the flow separation characteristics on the model wing to correspond to the large-scale wing. However, in comparing these wind-tunnel and flight results, it must be taken into account that this supercritical wing test configuration is of only intermediate scale und that a full-scale transport would have Reynolds numbers three to five times larger.

Jon S. Pyle↗
NASA NTRS1980

Controlled supercritical crossflow on supersonic wings - An experimental validation

Leading edges of wings with high lift at supersonic speeds are discussed. Under these conditions, the leading edge must generate a controlled supercritical crossflow such that high lift is obtained without boundary layer separation. The leading edge concept that accomplishes this is the supersonic counterpart of the leading edge of the 2-D supercritical airfoil at transonic speeds. Wind tunnel test results on a cambered wing with a controlled supercritical crossflow leading edge successfully validated the concept. The main results are presented at the M = 1.62 design point, with off-design results given for the range of Mach numbers from 1.60 to 2.00. Surface pressure, oil flow photographs, and force data are presented and analyzed. A flat wing with the same thickness distribution was also tested and the results were used both for comparison with the designed wing and to illustrate the development of the supercritical crossflow region which, for the flat wing, is terminated by a distinct crossflow shock wave.

Mason, W. H.↗
NASA NTRS1981

Historical background and design evolution of the transonic aircraft technology supercritical wing

Two dimensional wind tunnel test results obtained for supercritical airfoils indicated that substantial improvements in aircraft performance at high subsonic speeds could be achieved by shaping the airfoil to improve the supercritical flow above the upper surface. Significant increases in the drag divergence Mach number, the maximum lift coefficient for buffer onset, and the Mach number for buffet onset at a given lift coefficient were demonstrated for the supercritical airfoil, as compared with a NACA 6 series airfoil of comparable thickness. These trends were corroborated by results from three dimensional wind tunnel and flight tests. Because these indicated extensions of the buffet boundaries could provide significant improvements in the maneuverability of a fighter airplane, an exploratory wind tunnel investigation was initiated which demonstrated that significant aerodynamic improvements could be achieved from the direct substitution of a supercritical airfoil on a variable wing sweep multimission airplane model.

Ayers, T. G.↗
NASA NTRS1982

Supercritical maneuvering fighter configuration. Wind-tunnel investigation at Mach numbers of 0.60 to 0.95

A wind tunnel investigation was conducted to study the application of supercritical technology to highly maneuverable combat aircraft. The configuration studied has a leading-edge sweep of 45 deg and an aspect ratio of 3.28. Two supercritical-wing shapes were tested at Mach numbers from 0.60 to 0.95 with angles of attack from -2 deg to 17 deg. On supercritical wing was designed to achieve a high level of transonic maneuver performance at a Mach number of 0.90; however, excessive flow separation developed on this wing at a Mach number of 0.85. A second supercritical wing was tested which had significantly reduced flow separation and improved drag characteristics at a Mach number of 0.85 and maintained the performance of the original wing at the higher Mach numbers. Leading-edge vortex generators did not improve the performance of the second wing; however, a sharp leading-edge flap produced sizable drag reductions at Mach numbers from 0.60 to 0.90.

Mann, M. J.↗
NASA NTRS1984

Supercritical convection, critical heat flux, and coking characteristics of propane

The heat transfer characteristics of propane at subcritical and supercritical pressure were experimentally evaluated using electrically heated Monel K-500 tubes. A design correlation for supercritical heat transfer coefficient was established using the approach previously applied to supercritical oxygen. Flow oscillations were observed and the onset of these oscillations at supercritical pressures was correlated with wall-to-bulk temperature ratio and velocity. The critical heat flux measured at subcritical pressure was correlated with the product of velocity and subcooling. Long duration tests at fixed heat flux conditions were conducted to evaluate coking on the coolant side tube wall and coking rates comparable to RP-1 were observed.

Rousar, D. C.↗
NASA NTRS1982

Experimental trim drag values and flow-field measurements for a wide-body transport model with conventional and supercritical wings

The purpose of this study was to determine if advanced supercritical wings incur higher trim drag values at cruise conditions than current wide body technology wings. Relative trim drag increments were measured in an experimental wind tunnel investigation conducted in the Langley 8 Foot Transonic Pressure Tunnel. The tests utilized a high aspect ratio supercritical wing and a wide body aircraft wing, in conjunction with five different horizontal tail configurations, mounted on a representative wide body fuselage. The three low tail and two T-tail configurations were designed to measure the effects of horizontal tail size, location, and camber on the trim drag increments for the two wings. Longitudinal force and moment data were taken at a Mach number of 0.82 and design cruise lift coefficients for the wide body and supercritical wings of 0.45 and 0.55, respectively. The data indicate that the supercritical wing does not have significantly higher trim drag than the wide body wing. A reduction in tail size, combined with relaxed static stability, produced trim drag reductions for both wings. The cambered tails had higher trim drag increments than the symmetrical tails for both wings, and the T-tail configurations had lower trim drag increments than the low tail configurations.

Jacobs, P. F.↗
NASA NTRS1988

Fundamental kinetics and mechanistic pathways for oxidation reactions in supercritical water

Oxidation of the products of human metabolism in supercritical water has been shown to be an efficient way to accomplish the on-board water/waste recycling in future long-term space flights. Studies of the oxidation kinetics of methane to carbon dioxide in supercritical water are presented in this paper in order to enhance the fundamental understanding of the oxidation of human waste compounds in supercritical water. It is concluded that, although the elementary reaction models remain the best hope for simulating oxidation in supercritical water, several modifications to existing mechanisms need to be made to account for the role of water in the reaction mechanism.

Webley, Paul A.↗
NASA NTRS1987

Results of LFC experiment on slotted swept supercritical airfoil in Langley's 8-foot transonic pressure tunnel

A large chord swept supercritical laminar-flow control (LFC) airfoil was designed, constructed, and tested in the Langley 8-foot Transonic Pressure Tunnel (TPT). The LFC airfoil experiment was established to provide basic information concerning the design and compatibility of high performance supercritical airfoils with suction boundary-layer control achieved through fine slots or porous surface concepts. Shockless pressure distribution was achieved. Full chord laminar flow was achieved on upper and lower surfaces. Full chord laminar flow was maintained at subcritical speeds and over large supercritical zones. Feasibility of combined suction laminarization and supercritical airfoil technology was demonstrated.

Brooks, Cuyler W., Jr.↗
NASA NTRS1955

A Theoretical and Experimental Investigation of the Lift and Drag Characteristics of Hydrofoils at Subcritical and Supercritical Speeds

A theoretical and experimental investigation at subcavitation speeds was made of the effect of the free-water surface and rigid boundaries on the lift and drag of an aspect-ratio-10 hydrofoil at both subcritical and supercritical speeds and of an aspect ratio-4 hydrofoil at supercritical speeds. Approximate theoretical solutions for the effects of the free-water surface and rigid boundaries on drag at subcritical speeds are developed. An approximate theoretical solution for the effects of these boundaries on drag at subcritical speeds is also presented. The agreement between theory and experiment at both supercritical and subcritical speeds is satisfactory for engineering calculations of hydrofoil characteristics from aerodynamic data. The experimental investigation indicated no appreciable effect of the limiting speed of wave propagation on lift-curve slope or angle of zero lift. It also showed that the increase in drag as the critical speed is approached from the supercritical range is gradual. The result is contrary to the abrupt increase at the critical speed predicted by theory.

Wadlin, Kenneth L↗