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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Thermal design and validation of Mars 202 gas Dust Removal Tool (gDRT)

As part of the science goals for the planned Mars 2020 mission, two instruments, PIXL and SHERLOC, intend to study the Mars surface at a close scale. These two instruments are planned to be used on smooth rock surfaces that are free of dust and other particles. Such surfaces are prepared by using a drill with an abrading drill bit; residual dust and particles are then blown away using a compressed gas system—the Gas Dust Removal Tool (gDRT). Early in the design process a risk of valve leakage below the vendor’s -20C rating was identified. To mitigate this risk a parallel path was implemented: 1) qualify the valves to operate at -135C, and 2) develop thermal control capability to elevated temperatures in case qualification efforts are unsuccessful. While qualification efforts are ongoing, it is expected that the valves will be qualified to an operating temperature of -135C. In the event that qualification is not successful, thermal control has been realized via a thermally isolated valve configuration and thermostatically controlled heaters. Thermal testing of gDRT has validated this design and enabled thermal model correlation in order to provide more accurate survival energy predictions. The resulting energy consumption for heating the valves at the Jezero landing site represents a minimal impact to the Rover energy budget.

Novak, Keith↗
DOE OSTI2022

June 2022 Permeability Measurements in P-Tunnel, Nevada National Security Site

This document describes gas permeability measurements made in June 2022 in P-Tunnel at the Nevada National Security Site (NNSS). Four boreholes (AC-1, GI-5, GI-6, and HF-1) were tested with a dual packer system. The pressure versus flow rate data that were collected are analyzed using a numerical simulation method that captures compressible gas flow in partially saturated porous media using a close approximation to the geometry of the test setup. The first part of this document begins with data collection and a description of the packer assembly followed by details on data acquisition, measurement instrumentation, and equipment followed by a description of pre-test system verification. Next, the implementation of testing in the field is described, including how specific locations were chosen for testing. The second part of this document describes the numerical simulations used to back-out permeability from the pressure versus flow rate data. First, the numerical model is described, including assumptions. Next the details of the mesh that represents the experiment are described. A method for generating type curves in pressure versus flow rate space is presented and finally the data are mapped to permeability. We conclude with a discussion of the results.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2005

Analytic Modeling of the Hydrodynamic, Thermal, and Structural Behavior of Foil Thrust Bearings

A simulation and modeling effort is conducted on gas foil thrust bearings. A foil bearing is a self acting hydrodynamic device capable of separating stationary and rotating components of rotating machinery by a film of air or other gaseous lubricant. Although simple in appearance these bearings have proven to be complicated devices in analysis. They are sensitive to fluid structure interaction, use a compressible gas as a lubricant, may not be in the fully continuum range of fluid mechanics, and operate in the range where viscous heat generation is significant. These factors provide a challenge to the simulation and modeling task. The Reynolds equation with the addition of Knudsen number effects due to thin film thicknesses is used to simulate the hydrodynamics. The energy equation is manipulated to simulate the temperature field of the lubricant film and combined with the ideal gas relationship, provides density field input to the Reynolds equation. Heat transfer between the lubricant and the surroundings is also modeled. The structural deformations of the bearing are modeled with a single partial differential equation. The equation models the top foil as a thin, bending dominated membrane whose deflections are governed by the biharmonic equation. A linear superposition of hydrodynamic load and compliant foundation reaction is included. The stiffness of the compliant foundation is modeled as a distributed stiffness that supports the top foil. The system of governing equations is solved numerically by a computer program written in the Mathematica computing environment. Representative calculations and comparisons with experimental results are included for a generation I gas foil thrust bearing.

Bruckner, Robert J.↗
DOE OSTI2021

Concentric Ring Gas Atomization Die Design for Optimized Particle Production

In partnership with Linde plc (formerly Praxair, Inc.), Ames Laboratory will further develop and commercialize its concentric-ring high pressure gas atomization (CR-HPGA) gas-die technology with a goal to improve the precision of metal powder production in a desired size range and quality. The successful commercialization of this technology could reduce production cost of metal powders and improve reliability of this industrial process, increasing specialty alloy powder availability for new applications and adoption into additive manufacturing and multiple materials sectors. The project scope is to [1] utilize AMES compressible gas flow and melt break-up models to explore a wide swath of parameter space available for the CR-HPGA technology, identifying the most promising gas-die designs for fabrication, [2] verify and optimize the new gas-die design, fabricate it and select preferred operating parameters by gas-only flow imaging and aspiration pressure measurements, down-selecting gas compositions and atomization parameters for full scale testing, [3] perform pilot-scale atomization trials with Al and/or Cu alloys of a new CR-HPGA gas-die at selected parameters, [4] evaluate gas-die performance by comparing resulting powder size distribution and powder quality attributes with equivalent powders made by conventional close-coupled HPGA technology, and [5] assess (through Praxair partnership) reduction in operational costs of new CR-HPGA gas-die through the use of an inert gas recovery/recycling system. In partnership with Praxair, Inc., the team, led by Ames Laboratory senior metallurgist Iver Anderson, intend to demonstrate the performance of an optimized CR-HPGA gas-die design in a pilot scale atomizer and better understand the design and operational controls to increase overall benefits for precision metal powder production.

42 ENGINEERING↗
NASA NTRS1992

Propulsion simulator for magnetically suspended wind tunnel models

Simulation of propulsion induced aerodynamic forces and moments, which arise as a result of interactions between propulsive jets and the free stream, is one of the most desired capabilities in magnetic suspension wind tunnels. The feasibility of generating exhaust jets of appropriate characteristics onboard magnetically suspended models was examined. Four concepts of remotely operated propulsion simulators was considered. Three conceptual designs involving conventional technologies such as compressed gas cylinders, liquid monopropellants, and solid propellants were developed. The fourth concept, a laser assisted thruster, which can potentially simulate both inlet and exhaust flows, was found to require very high power levels. The measurement of aerodynamic forces and/or moments were demonstrated, including the effects of exhaust jets, in MSBS wind tunnels. Two propulsion simulator models were developed, a small scale and a large scale unit, both using compressed, liquified CO2 as propellant. Results of the wind tunnel tests with the small scale simulator are discussed.

Joshi, P. B.↗
NASA NTRS1990

Propulsion simulation for magnetically suspended wind tunnel models

The feasibility of simulating propulsion-induced aerodynamic effects on scaled aircraft models in wind tunnels employing Magnetic Suspension and Balance Systems. The investigation concerned itself with techniques of generating exhaust jets of appropriate characteristics. The objectives were to: (1) define thrust and mass flow requirements of jets; (2) evaluate techniques for generating propulsive gas within volume limitations imposed by magnetically-suspended models; (3) conduct simple diagnostic experiments for techniques involving new concepts; and (4) recommend experiments for demonstration of propulsion simulation techniques. Various techniques of generating exhaust jets of appropriate characteristics were evaluated on scaled aircraft models in wind tunnels with MSBS. Four concepts of remotely-operated propulsion simulators were examined. Three conceptual designs involving innovative adaptation of convenient technologies (compressed gas cylinders, liquid, and solid propellants) were developed. The fourth innovative concept, namely, the laser-assisted thruster, which can potentially simulate both inlet and exhaust flows, was found to require very high power levels for small thrust levels.

Joshi, Prakash B.↗
DOE OSTI2024

Embedded Fluidic Sensing and Control with Soft Open‐Cell Foams

Abstract The synthesis of soft matter intelligence with circuit‐driven logic has enabled a new class of robots that perform complex tasks or conform to specialized form factors in unique ways that cannot be realized through conventional designs. Translating this hybrid approach to fluidic systems, the present work addresses the need for sheet‐based circuit materials by leveraging the innate porosity of foam—a soft material—to develop pneumatic components that support digital logic, mixed‐signal control, and analog force sensing in wearables and soft robots. Analytical tools and experimental techniques developed in this work serve to elucidate compressible gas flow through porous sheets, and to inform the design of centimeter‐sized foam resistors with fluidic resistances on the order of 10 9 Pa s m −3 . When embedded inside soft robots and wearables, these resistors facilitate diverse functionalities spanning both sensing and control domains, including digital logic using textile logic gates, digital‐to‐analog signal conversion using ladder networks, and analog sensing of forces up to 40 N via compression‐induced changes in resistance. By combining features of both circuit‐based and materials‐based approaches, foam‐enabled fluidic circuits serve as a useful paradigm for future hybrid robotic architectures that fully embody the sensing and computing capabilities of soft fluidic materials.

Rajappan, Anoop↗
NASA NTRS1989

Progress on a Taylor weak statement finite element algorithm for high-speed aerodynamic flows

A new finite element numerical Computational Fluid Dynamics (CFD) algorithm has matured to the point of efficiently solving two-dimensional high speed real-gas compressible flow problems in generalized coordinates on modern vector computer systems. The algorithm employs a Taylor Weak Statement classical Galerkin formulation, a variably implicit Newton iteration, and a tensor matrix product factorization of the linear algebra Jacobian under a generalized coordinate transformation. Allowing for a general two-dimensional conservation law system, the algorithm has been exercised on the Euler and laminar forms of the Navier-Stokes equations. Real-gas fluid properties are admitted, and numerical results verify solution accuracy, efficiency, and stability over a range of test problem parameters.

Baker, A. J.↗
DOE OSTI2021

Performance and Durability of Pure-Water-Fed Anion Exchange Membrane Electrolyzers Using Baseline Materials and Operation

Water electrolysis powered by renewable electricity produces green hydrogen and oxygen gas, which can be used for energy, fertilizer, and industrial applications and thus displace fossil fuels. Pure-water anion-exchange-membrane (AEM) electrolyzers in principle offer the advantages of commercialized proton-exchange-membrane systems (high current density, low cross over, output gas compression, etc.) while enabling the use of less-expensive steel components and nonprecious metal catalysts. AEM electrolyzer research and development, however, has been limited by the lack of broadly accessible materials that provide consistent cell performance, making it difficult to compare results across studies. Further, even when the same materials are used, different pretreatments and electrochemical analysis techniques can produce different results. Here, we report an AEM electrolyzer comprising commercially available catalysts, membrane, ionomer, and gas-diffusion layers operating near 1.9 V at 1 A cm –2 in pure water. After the initial break in, the performance degraded by 0.67 mV h –1 at 0.5 A cm –2 at 55 °C. We detail the key preparation, assembly, and operation techniques employed and show further performance improvements using advanced materials as a proof-of-concept for future AEM-electrolyzer development. Here, the data thus provide an easily reproducible and comparatively high-performance baseline that can be used by other laboratories to calibrate the performance of improved cell components, nonprecious metal oxygen evolution, and hydrogen evolution catalysts and learn how to mitigate degradation pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Outbursts of H2O in Comet P/Halley

Comet Halley gas-production monitoring efforts in March 1986 with the NASA Kuiper Airborne Observatory's Fourier transform spectrometer have indicated rapid temporal variations in H2O emissions; a continuous record of an H2O outburst was thus obtained. The event, in which H2O brightness increased by a factor of 2.2 in less than 10 min, is ascribable to an energetic process in the nucleus whose character may have been that of amorphous H2O ice crystallization, chemical explosion, thermal stress, or a compressed gas pocket. The timing and energy of the event appear to require an internal energy source; amorphous ice crystallization is held to be most consistent with compositional and thermal models of cometary nuclei as well as the observations.

Larson, Harold P.↗
NASA NTRS2003

Pneumatically Actuated Miniature Peristaltic Vacuum Pumps

Pneumatically actuated miniature peristaltic vacuum pumps have been proposed for incorporation into advanced miniature versions of scientific instruments that depend on vacuum for proper operation. These pumps are expected to be capable of reaching vacuum-side pressures in the torr to millitorr range (from .133 down to .0.13 Pa). Vacuum pumps that operate in this range are often denoted roughing pumps. In comparison with previously available roughing pumps, these pumps are expected to be an order of magnitude less massive and less power-hungry. In addition, they would be extremely robust, and would operate with little or no maintenance and without need for oil or other lubricants. Portable mass spectrometers are typical examples of instruments that could incorporate the proposed pumps. In addition, the proposed pumps could be used as roughing pumps in general laboratory applications in which low pumping rates could be tolerated. The proposed pumps could be designed and fabricated in conventionally machined and micromachined versions. A typical micromachined version (see figure) would include a rigid glass, metal, or plastic substrate and two layers of silicone rubber. The bottom silicone layer would contain shallow pump channels covered by silicone arches that could be pushed down pneumatically to block the channels. The bottom silicone layer would be covered with a thin layer of material with very low gas permeability, and would be bonded to the substrate everywhere except in the channel areas. The top silicone layer would be attached to the bottom silicone layer and would contain pneumatic- actuation channels that would lie crosswise to the pump channels. This version is said to be micromachined because the two silicone layers containing the channels would be fabricated by casting silicone rubber on micromachined silicon molds. The pneumatic-actuation channels would be alternately connected to a compressed gas and (depending on pump design) either to atmospheric pressure or to a partial vacuum source. The design would be such that the higher pneumatic pressure would be sufficient to push the silicone arches down onto the substrates, blocking the channels. Thus, by connecting pneumatic- actuation channels to the two pneumatic sources in spatial and temporal alternation, waves of opening and closing, equivalent to peristalsis, could be made to move along the pump channels. A pump according to this concept could be manufactured inexpensively. Pneumatic sources (compressors and partial vacuum sources) similar those needed for actuation are commercially available; they typically have masses of .100 g and power demands of the order of several W. In a design-optimization effort, it should be possible to reduce masses and power demands below even these low levels and to integrate pneumatic sources along with the proposed pumps into miniature units with overall dimensions of no more than a few centimeters per side.

Feldman, Sabrina↗
NASA NTRS2017

Oxygen Candle Background for Subs and Space

"At any time and without warning, a submarine may have to remain submerged for several days on account of the presence of the enemy, or rough weather, or serious accident to the machinery. Fortunately such occurrences are rare; but every commanding officer must be prepared to meet such an emergency that will afford his men the greatest possible chance of survival." Reference (1) This quotation is taken from a review of submarine air purification technology published by the Bureau of Medicine and Surgery in 1919. At that time, the U.S. Navy had just begun to experiment with possible air purification devices and supplies of oxygen that might permit submarines to remain submerged longer that the untreated closed atmosphere would allow. Submariners were exposed to elevated levels of carbon dioxide and reduced levels of oxygen that would be considered completely unacceptable by current standards. It was a different world, but humans are still humans, and the requirements for safe and effective functioning in a self-contained environment are really unchanged. The maximum submergence time for submarines as published in that work was approximately 48 hours, reference (1) In early submarines, the preferred supply of oxygen was 1800 psig compressed gas bled into the boat as needed, references (1,2). The need for added oxygen was occasionally "measured" by the physiological impact on the crew rather than a reliable instrument, reference (1). The design of submarine oxygen supply was limited to approximately 25 day submerged operation, reference (2). It was not until 1958 that U.S. submarines were able to carry out dives beyond that period and necessitated new sources of oxygen, reference (2). A curious second source of oxygen at the time was compressed air vessels that were bled into the boat while "vitiated" air (air with reduced oxygen and elevated carbon dioxide) from the opposite end of the boat was compressed into waiting empty vessels, reference (1). The periodic use of pressurized air to control oxygen caused swings in ambient pressure that was uncomfortable to the crew, reference (1). As early as 1919, liquid oxygen was a commercially available product and its use on submarines was contemplated, reference (1). It is interesting that even at this date, 1919, the danger of oils or greases when exposed to compressed or liquid oxygen was recognized: "One precaution must be always taken. No oil or grease should be used in the gauge or fittings or a dangerous explosion may result."

Graf, John↗
DOE OSTI2022

The density distribution and physical origins of intermittency in supersonic, highly magnetized turbulence with diverse modes of driving

The probability density function (PDF) of the logarithmic density contrast, s = ln (ρ/ρ 0 ), with gas density ρ and mean density ρ 0 , for hydrodynamical supersonic turbulence is well known to have significant non-Gaussian (intermittent) features that monotonically increase with the turbulent Mach number, M. By studying the mass- and volume-weighted s-PDF for an ensemble of 36 sub-to-trans-Alfvenic mean-field, supersonic, isothermal turbulence simulations with different modes of driving, relevant to molecular gas in the cool interstellar medium, we show that a more intricate picture emerges for the non-Gaussian nature of s. Using four independent measures of the non-Gaussian components, we find hydrodynamical-like structure in the highly magnetized plasma for M≲4. However, for M≳4, the non-Gaussian signatures disappear, leaving approximately Gaussian s-statistics – exactly the opposite of hydrodynamical turbulence in the high-M limit. We also find that the non-Gaussian components of the PDF increase monotonically with more compressive driving modes. To understand the M≲4 non-Gaussian features, we use one-dimensional pencil beams to explore the dynamics along and across the large-scale magnetic field, B 0 . Here we discuss kinetic, density, and magnetic field fluctuations from the pencil beams, and identify physical sources of non-Gaussian components to the PDF as single, strong shocks coupled to fast magnetosonic compressions that form along B 0 . We discuss the Gaussianization of the M≳4 s-fields through the lens of two phenomenologies: the self-similarity of the s-field and homogenization of the dynamical time-scales between the over- and underdense regions in the compressible gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A Review of the Research and Development of Brayton Cycle Technology in Nuclear Power Applications with a Focus on Compressor Technology

This study reviews the integration of Brayton Cycle (BC) systems in nuclear power generation, emphasizing their potential to enhance thermal efficiency and operational flexibility over traditional Rankine Cycle (RC) systems. Key working fluids, such as helium (He), supercritical carbon dioxide (sCO 2 ), nitrogen (N 2 ), and air, are evaluated for their performance, efficiency, and compatibility with nuclear systems. He is recognized for its high thermal conductivity and inertness at elevated temperatures, while sCO 2 demonstrates advantages in compactness and efficiency in midrange temperatures. This article also highlights the importance of compressor designs in optimizing BC performance and reviews, available compressor technologies. Axial and centrifugal compressor designs enable efficient gas compression while managing the thermal and mechanical stresses associated with high-pressure operations in nuclear systems. Combined with variable geometry components and advanced materials, these technologies address the challenges posed by varying load conditions. Despite the promising features of BC systems, several challenges persist, including high leakage rates and material degradation under extreme conditions, which necessitate robust sealing technologies and thorough testing. The insights gained from operational experiences at facilities, such as the Oberhausen II plant and the High-Temperature He Test Facility (HHV), underscore the complexities involved in designing high-temperature gas turbines for nuclear applications. This review concludes that as the nuclear industry evolves, BC systems hold significant promise for contributing to a sustainable energy future, particularly in the context of small modular reactors (SMRs) and microreactors. Further exploration of combined cycle configurations that combine BCs with RCs may enhance overall efficiency and flexibility in power generation.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

The cold high-pressure approach to hydrogen delivery

In view of the very expensive and wasteful nature of today's approaches to H 2 delivery, in this work we explore the possibility of transporting cold (200 K) high pressure (875 bar) H 2 in thermally insulated trailers and dispensing H 2 directly from the trailer, with the potential to eliminate station compressor, cascade, and refrigerator, leading to major reductions in station complexity, maintenance, electricity consumption, and cost, while improving functionality by enabling essentially unlimited back to back refuels, and improving safety due to reduced H 2 expansion energy at low temperature. Detailed techno-economic analysis shows promise for substantial delivery cost reductions through cold high pressure H 2 dispensed directly from the trailer. Results indicate that: (1) Terminal operations for cold high pressure H 2 delivery are $\$$0.32/kg H 2 more expensive than for 350 bar compressed gas delivery (today's lowest cost H 2 delivery technology) due to higher level of pressurization (to 1000 bar) and chilling needs (to 165 K). (2) Trailer cost drops slightly ($\$$0.73 vs. $\$$0.81/kg H 2 for a 350 bar trailer) due to increased capacity (1035 kg H 2 delivered vs. 700 kg) compensating for increased capital cost ($\$$906,900 for cold high pressure H 2 vs. $\$$634,000 for 350 bar trailer). (3) Cold hydrogen delivery presents major advantages in fueling station cost, reduced from $\$$1.27 to $\$$0.46/kg H 2 due to elimination of major system components: compressor, cascade, and chiller. (4) Total compression cost (terminal + station) drops from $\$$0.92/kg H 2 ($\$$0.32 terminal and $\$$0.60 station) for 350 bar trailers to $\$$0.55/kg H 2 (all at the terminal) for cold high pressure H 2 . (5) Elimination of small-scale station compressors is the main contributor to reduced delivery cost due to their inefficiency, capital expense, and maintenance needs. In summary, total delivery cost reduction vs. 350 bar trailer equals $\$$0.58/kg H 2 (from $\$$2.96 to 2.38/kg H 2 ), equivalent to 24% of the total delivery cost. This large cost advantage will improve the economics of H 2 vehicles facilitating the transition to a future of zero emission transportation.

08 HYDROGEN↗
NASA NTRS1956

Boundary Layer

The fundamental, practically the most important branch of the modern mechanics of a viscous fluid or a gas, is that branch which concerns itself with the study of the boundary layer. The presence of a boundary layer accounts for the origin of the resistance and lift force, the breakdown of the smooth flow about bodies, and other phenomena that are associated with the motion of a body in a real fluid. The concept of boundary layer was clearly formulated by the founder of aerodynamics, N. E. Joukowsky, in his well-known work "On the Form of Ships" published as early as 1890. In his book "Theoretical Foundations of Air Navigation," Joukowsky gave an account of the most important properties of the boundary layer and pointed out the part played by it in the production of the resistance of bodies to motion. The fundamental differential equations of the motion of a fluid in a laminar boundary layer were given by Prandtl in 1904; the first solutions of these equations date from 1907 to 1910. As regards the turbulent boundary layer, there does not exist even to this day any rigorous formulation of this problem because there is no closed system of equations for the turbulent motion of a fluid. Soviet scientists have done much toward developing a general theory of the boundary layer, and in that branch of the theory which is of greatest practical importance at the present time, namely the study of the boundary layer at large velocities of the body in a compressed gas, the efforts of the scientists of our country have borne fruit in the creation of a new theory which leaves far behind all that has been done previously in this direction. We shall herein enumerate the most important results by Soviet scientists in the development of the theory of the boundary layer.

Loitsianskii. L. G.↗
DOE OSTI2022

Matrimid substrates with bicontinuous surface and macrovoids in the bulk: A nearly ideal substrate for composite membranes in CO 2 capture

Scalable fabrication of thin-film composite (TFC) membrane for post-combustion carbon capture is often limited by the availability of high-performance nanoporous substrate. Ideally, the substrate should allow for fast gas transport at the selective layer/substrate interface as well as in the bulk of the substrate. In this study, highly permeable Matrimid substrates were prepared via vapor- and nonsolvent-induced phase separations. The phase separation mechanism of the Matrimid®/N-methyl-2-pyrrolidone casting solution was modulated by the addition of LiCl to control the solution thermodynamic stability, and nanoporous Matrimid substrates were formed with a bicontinuous surface and macrovoids in the bulk. This hierarchically optimized structure resulted in a CO 2 permeance of 2.60 × 10 5 GPU (1 GPU = 1 × 10 –6 cm 3 (STP) cm –2 s –1 cmHg –1 = 3.349 × 10 –10 mol m –2 s –1 Pa –1 ), which was ca. 11 times more permeable than a benchmark polyethersulfone substrate with cellular pores. The benefit of using this new substrate was demonstrated by coating a 170-nm amine-containing polymer to form a TFC facilitated transport membrane. The membrane exhibited a CO 2 permeance of 932 GPU at 57°C, which was 72 GPU higher than the counterpart coated on the benchmark substrate. Meanwhile, the CO 2 /N 2 selectivity was remained at 158. This permeance improvement could be well explained by the resistance-in-series model, where the improved permeance was attributed to the reductions in substrate and lateral diffusion mass transfer resistances. The upper bound (UB) analysis indicates that the Matrimid substrate is nearly ideal for the state-of-the-art polymers for CO 2 /N 2 separation. Here, the substrate improvement could also reduce the parasitic energy associated with the membrane process due to the reduced membrane cost and flue gas compression requirement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Broad range material-to-system screening of metal–organic frameworks for hydrogen storage using machine learning

Hydrogen is pivotal in the transition to sustainable energy systems, playing major roles in power generation and industrial applications. Metal–organic frameworks (MOFs) have emerged as promising mediums for efficient hydrogen storage. However, identifying potential candidates for deployment is challenging due to the vast number of currently available synthesized MOFs. This study integrates molecular simulations, machine learning, and techno-economic analysis to evaluate the performance of MOFs across broad operation conditions for hydrogen storage applications. While previous screenings of MOF databases have predominantly emphasized high hydrogen capacities under cryogenic conditions, this study reveals that optimal temperatures and pressures for cost minimization depend on the raw price of the MOF. Specifically, when MOFs are priced at $15/kg, among the 9720 MOFs tested, 9692 MOFs achieve the lowest cost at temperatures between 170 K and 250 K and a pressure of 150 bar. Under these optimal conditions, 362 MOFs deliver a lower levelized cost of storage than 350 bar compressed gas hydrogen storage. Furthermore, this study reveals key material properties that result in low system cost, such as high surface areas (>3000 m2/g), large void fractions (>0.78), and large pore volumes (>1.1 cm3/g).

Hydrogen storage↗