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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Effect of Viscosity of a Deep Eutectic Solvent on CO 2 Capture Performance in an Energy-Efficient Membrane Contactor-Based Process

Greenhouse gas contributions to climate change have driven intense interest in the separation of CO 2 from wet flue gas streams. Deep eutectic solvents (DESs) are an emerging class of highly selective CO 2 absorbents. A prototypical DES, reline, is a mixture of choline chloride and urea. Reline is a thermally stable, nontoxic, and biodegradable solvent with negligible volatility and is inexpensive. We demonstrate a scalable and energy-efficient hollow fiber membrane contactor (HFMC)-based process using a green solvent for CO 2 capture. This process uses reline in HFMC to provide close interfacial interactions and contact between DES and CO 2 . This approach overcomes the disadvantages associated with direct absorption in DES and could potentially be applied to a variety of solvent-based CO 2 capture methods. Commercial, low-cost polymer hollow fiber membranes were evaluated for the capture of CO 2 with reline. From a mixed gas containing N 2 and CO 2 , the DES-based HFMC separated CO 2 with a purity of 97 mol %. The effect of the viscosity of reline on the CO 2 capture performance was investigated by adding water to the reline. The addition of water to reline significantly reduced its viscosity, which led to a permeate flux of 170 mmol/(m 2 ·h) at 35 °C, 4 bar, and 60 wt % water in solvent, which was approximately 8 times higher than that of the pure reline in the membrane contactor system. In situ Fourier transform infrared spectroscopy and nuclear magnetic resonance (NMR) revealed that reline absorbs CO 2 by physical absorption without forming new chemical compounds and that CO 2 separation by reline occurs via the pressure swing mechanism. This research provides fundamental insights about green physical solvent-based separation processes and a pathway toward industrial deployment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Carbohydrate-Containing Conjugated Polymers: Solvent-Resistant Materials for Greener Organic Electronics

Organic semiconducting polymers are exciting materials for electronic applications because of their good mechanical and optoelectronic properties. A major advantage of organic semiconductors is their solution processability. This allows access to a variety of simple and cost-effective device fabrication methods compared to the expensive, high-temperature processing methods required for silicon-based electronics. However, these materials often have low solubility, which limits their processing to toxic halogenated solvents. Also, their limited solubility often leads to interfacial mixing during device fabrication. Herein, this work explores the incorporation of environmentally friendly carbohydrate side chains in conjugated polymers to enhance processability in eco-friendly solvents. Moreover, a mild postprocessing treatment was designed to enable solvent resistance. Isoindigo-based polymers with varied ratios of acetyl-protected galactose side chains were synthesized to improve solubility in o-anisole in the protected state, while inducing solvent resistance through intramolecular hydrogen bonding in the deprotected state. Solvent resistance was confirmed both visually upon submersion in various solvents and using UV–visible spectroscopy. Importantly, the mild basic treatment to achieve solvent resistance has no negative impact on the electronic performance of these materials in organic field-effect transistors, even after subsequent submersion in various solvents, making them a valuable platform for the production of green processable multilayer electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Analytical advances to study the air – water interfacial chemistry in the atmosphere

Formation of aqueous secondary organic aerosol (aqSOA) at the air – liquid interface recently has attracted a lot of attention in atmospheric chemistry. The discrepancies in mass distributions, aerosol oxidative capacity, liquid water content, hygroscopic growth of aerosols, and formation of clouds and fogs suggest that interfacial chemistry play a more important role than previously deemed. However, detailed mechanisms at the air–water interface remain unclear owing to the lack of comprehensive understanding that underpins complicated interfacial phenomena, which are not easily measurable from field campaigns, laboratory measurements, or computational simulations. Here, this review highlights relevant and recent technical advancement employed to study aqSOA encompassing spectroscopy and mass spectrometry. The current knowledge on the aqSOA processes is digested with an emphasis on recent research of interfacial aqSOA formation including laboratory studies and model simulations. Finally, future directions of the interfacial chemistry are recommended for field and laboratory studies as well as theoretical efforts to resolve interfacial challenges in atmospheric chemistry.

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

Ultrafast Control of Interfacial Exchange Coupling in Ferromagnetic Bilayer

Fast spin manipulation in magnetic heterostructures, where magnetic interactions between different materials often define the functionality of devices, is a key issue in the development of ultrafast spintronics. Although recently developed optical approaches such as ultrafast spin-transfer and spin–orbit torques open new pathways to fast spin manipulation, these processes do not fully utilize the unique possibilities offered by interfacial magnetic coupling effects in ferromagnetic multilayer systems. Here, ultrafast optically controlled interfacial exchange interactions in the ferromagnetic Co 2 FeAl/(Ga,Mn)As system at low laser fluence levels are experimentally demonstrated. The excitation efficiency of Co 2 FeAl with the (Ga,Mn)As layer is 30–40 times higher than the case with the GaAs layer at 5 K due to the modification of exchange coupling interaction via photoexcited charge transfer between the two ferromagnetic layers. In addition, the coherent spin precessions persist to room temperature, excluding the drive of pump-modulated magnetization in the (Ga,Mn)As layer and indicating a proximity-effect-related optical excitation mechanism. The results highlight the importance of interfacial exchange interactions in ferromagnetic heterostructures and how these magnetic coupling effects can be utilized for ultrafast, low-power spin manipulation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Droplet breakup by multimodal nonlinear Rayleigh Taylor instability

A droplet impacted by a shock wave will undergo a process of fragmentation due to the development of interfacial hydrodynamic instabilities. The interface experiences variable acceleration and shear that result in the development of both inertial (Rayleigh–Taylor) and shear (Kelvin–Helmholtz) instabilities. These perturbations grow in time and drive the fragmentation and breakup of the deformed droplet. Experiments are performed on nominally 0.86 mm water droplet subjected to a Mach 7.6 detonation wave, resulting in a high Weber number (~36,000) breakup event. Perturbation growth is measured from a series of high-speed (> MHz) shadowgraph images. It is proposed that, given the size of the large-scale perturbations observed in experiments, these instabilities are growing in the non-linear regime and can be described by bubble-merger models for nonlinear mixing. Calculations are performed for the growth rates and size of these instabilities using deformation and external flow models to establish the time-dependent boundary conditions. The concurrence of the measured perturbation widths and the predictions of the simple model lend credence to the theory. This novel approach serves to open a new avenue in the characterization of droplet breakup via hydrodynamic instabilities.

Droplet breakup↗
DOE OSTI2021

Plasma-driven solution electrolysis

Plasmas interacting with liquids enable the generation of a highly reactive interfacial liquid layer due to a variety of processes driven by plasma-produced electrons, ions, photons, and radicals. These processes show promise to enable selective, efficient, and green chemical transformations and new material synthesis approaches. While many differences are to be expected between conventional electrolysis and plasma–liquid interactions, plasma–liquid interactions can be viewed, to a first approximation, as replacing a metal electrode in an electrolytic cell with a gas phase plasma. For this reason, we refer to this method as plasma-driven solution electrochemistry (PDSE). In this Perspective, we address two fundamental questions that should be answered to enable researchers to make transformational advances in PDSE: How far from equilibrium can plasma-induced solution processes be driven? and What are the fundamental differences between PDSE and other more traditional electrochemical processes? Different aspects of both questions are discussed in five sub-questions for which we review the current state-of-the art and we provide a motivation and research vision.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Exceptional Mineral Scaling Resistance from the Surface Gas Layer: Impacts of Surface Wetting Properties and the Gas Layer Charging Mechanism

Mineral scaling is a phenomenon that occurs on submerged surfaces in contact with saline solutions. In membrane desalination, heat exchangers, and marine structures, mineral scaling reduces process efficiency and eventually leads to process failure. Therefore, achieving long-term scaling resistance is beneficial to enhancing process performance and reducing operating and maintenance costs. While evidence shows that superhydrophobic surfaces may reduce mineral scaling kinetics, prolonged scaling resistance is limited due to the finite stability of the entrained gas layer present in a Cassie–Baxter wetting state. Additionally, superhydrophobic surfaces are not always feasible for all applications, but strategies for long-term scaling resistance with smooth or even hydrophilic surfaces are often overlooked. In this study, we elucidate the role of interfacial nanobubbles on the scaling kinetics of submerged surfaces of varied wetting properties, including those that do not entrain a gas layer. We show that both solution conditions and surface wetting properties that promote interfacial bubble formation enhances scaling resistance. In the absence of interfacial bubbles, scaling kinetics decrease as surface energy decreases, while the presence of bulk nanobubbles enhances the scaling resistance of the surface with any wetting property. The findings in this study allude to scaling mitigation strategies that are enabled by solution and surface properties that promote the formation and stability of interfacial gas layers and provide insights to surface and process design for greater scaling resistance.

calcite↗
DOE OSTI2021

Interfaces in all solid state Li-metal batteries: A review on instabilities, stabilization strategies, and scalability

With technological advancements in electrochemical energy storage systems increasing at a spectacular rate, batteries equipped with a lithium anode hold the key towards unlocking high energy densities. While lithium-ion batteries with layered anodes (e.g. graphite) and liquid organic electrolytes have been ubiquitous in portable electronics, electric vehicles, and grid applications, all solid-state batteries that use the combination of a lithium anode and a solid-state electrolyte (SSE) will further advance the present technology. The underlying challenge that limits the successful development of all solid-state batteries (ASSBs) is dictated largely by the highly reactive interfaces at the anode/SSE and the cathode/SSE interface. In this comprehensive review, we present an overview of the following: (i) characterization of the electrode/SSE interface via multimodal characterization, which include X-ray-, electron-, neutron-, optical-, and computation-based methods: (ii) parasitic reactions that occur from chemical, mechanical or electrochemical instabilities and interfacial engineering strategies for improving the stability of these interfaces classified by the class of inorganic SSEs (sulfide-, NASICON-, and garnet-type SSEs); (iii) laboratory-to-industry scale processing perspectives of SSEs; (iv) scalability and manufacturing aspects of current interfacial strategies; and (v) the prospects of all ASSBs within the context of extreme fast charging capability. Here, this review seeks to highlight key efforts in the field of ASSBs, by focusing particularly on stabilizing the electrode/SSE interfaces, which will help to bridge fundamental studies to technological relevance.

25 ENERGY STORAGE↗
DOE OSTI2023

Interfacial microstructure and mechanical properties of rotary inertia friction welded dissimilar 422 martensitic stainless steel to 4140 low alloy steel joints

In this work, dissimilar rotary inertia friction welds between 422 martensitic stainless steel and 4140 martensitic low-alloy steel were made to fabricate prototype heavy-duty diesel engine pistons. The influence of the inertia friction welding process and post weld heat treatment (PWHT) temperature on the interfacial microstructure evolutions and corresponding effects on mechanical properties of the 422/4140 welds were evaluated in detail. Carbon diffused from the 4140 side to the 422 side during PWHT at 650 °C for 1.5 h, causing the formation of a hard carbide-rich layer on the 422 side, and a softer but discontinuous C-depleted layer the 4140 side. PWHT at 700 °C for 1.5 h greatly accelerated C diffusion across the interface relative to 650 °C, resulting in a thicker hard carbide-rich layer and a relatively thick and continuous layer of coarse C-depleted grains (ferrite) on the 4140 side. In addition, the PWHT temperature greatly influenced the tensile properties and fracture behavior of the welds, with the 650 °C PWHT-ed samples failing predominately in a ductile manner in the 4140 heat affected zone during tensile testing. Conversely, the 700 °C PWHT specimens exhibited a strength reduction compared with the 650 °C PWHT specimens because of additional coarsening of the interfacial ferrite layer and softening of the base materials during PWHT, with brittle fracture between the hard and soft layers the predominate failure mechanism. Based on the findings, a reduced PWHT temperature and/or time, minimizing the hardness differential of the base metals, and pre-heating the 422 steel prior to welding are the potential pathways to achieve a more optimal balance between desirable tempering and stress relief of the weld microstructure and undesirable C migration across the weld interface, and to reduce the strength mismatch across the weld.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multidimensional visualization of the dynamic evolution of Li metal via in situ/operando methods

The growing demands for high-energy density electrical energy storage devices stimulate the coupling of conversion-type cathodes and lithium (Li) metal anodes. While promising, the use of these “Li-free” cathodes brings new challenges to the Li anode interface, as Li needs to be dissolved first during cell operation. In this study, we have achieved a direct visualization and comprehensive analysis of the dynamic evolution of the Li interface. The critical metrics of the interfacial resistance, Li growth, and solid electrolyte interface (SEI) distribution during the initial dissolution/deposition processes were systematically investigated by employing multidimensional analysis methods. They include three-electrode impedance tests, in situ atomic force microscopy, scanning electrochemical microscopy, and cryogenic scanning transmission electron microscopy. The high-resolution imaging and real-time observations show that a loose, diffuse, and unevenly distributed SEI is formed during the initial dissolution process. This leads to the dramatically fast growth of Li during the subsequent deposition, deviating from Fick’s law, which exacerbates the interfacial impedance. The compactness of the interfacial structure and enrichment of electrolyte species at the surface during the initial deposition play critical roles in the long-term stability of Li anodes, as revealed by operando confocal Raman spectroscopic mapping. In conclusion, our observations relate to ion transfer, morphological and structural evolution, and Li (de)solvation at Li interfaces, revealing the underlying pathways influenced by the initial dissolution process, which promotes a reconsideration of anode investigations and effective protection strategies.

25 ENERGY STORAGE↗
DOE OSTI2025

A Novel Manufacturing Process of Lightweight Automotive Seats (Integration of Additive Manufacturing and Reinforced Polymer Composite)

Lightweight automotive seats offer multiple benefits to original equipment manufacturers in terms of cost savings from various aspects, including less material usage, more integrated processes, and compliance with Corporate Average Fuel Economy Standards. Original equipment manufacturers have been focusing on innovative ways to produce light weight automotive seats. The commercially available automotive seats are currently made of multiple metal components combined through welding and fasteners. The use of additive manufacturing and composite structures is particularly useful for light weighting the automotive components. Additive manufacturing (AM) offers multiple advantages over traditional manufacturing processes such as freedom of design thereby enabling complex structural geometries, mass customization and waste minimization, and control over the fiber alignment through deposition in a predetermined pattern. Combining metal inserts with polymer composites through a novel manufacturing process allows design of lightweight and high-performance materials for automotive components. However, fabricating these metal polymer composite structures through traditional manufacturing processes limits their mechanical properties due to limited design freedom, lack of control over fiber orientation in composite parts, and poor interfacial bonding between the constituent materials. It is essential to develop a novel manufacturing process to enable high throughput production of lightweight automotive seats using metal and polymer composites. As such it is important to design the automotive seat suitable for manufacturing via this process and perform mechanical characterization on various subcomponents of the seat to ensure that the design and performance requirements provided by the auto manufacturer are met. The aim of this project is to develop a novel manufacturing technique to produce lightweight automotive seat by combining AM with conventional manufacturing processes. The car seat back panel will be designed via topology optimization and numerical simulations to minimize the overall weight while ensuring it meets all the performance requirements. The optimization of the seat back structure will be based on computational stress analysis to maximize the stiffness and minimize the weight. Materials currently used by Ford Motor Company will be adopted for a few subcomponents while the in-house composite materials will be used for the rest of the seat back. The composite and metallic materials will be tested to determine their mechanical properties as these are necessary for simulations. A novel manufacturing process will be developed to integrate AM metal inserts with discontinuous reinforced composite through large scale additive manufacturing and compression overmolding processes. The developed manufacturing technique will be used to fabricated various subcomponents suitable for the seat back design and mechanically tested to determine their properties. The manufacturing of the lightweight seat back design through this process involves integrated AM metal inserts with the composite structure for recliner connection. The manufacturing of the entire seat back which is lightweight through the novel manufacturing process will be discussed. The performance of the designed seat back will be investigated through numerical simulations and shown to meet all the requirements provided by the auto manufacturer. The final goal of developing a novel manufacturing process for lightweight automotive seats is met through design optimization of seat back, manufacturing of subcomponents, mechanical characterization, and validation through numerical simulations. The routes to achieve the final goal of the project and the depth in which they were investigated changed throughout the project due to personnel changes and the COVID-19 pandemic. The project resulted in the development of a novel manufacturing process to integrate metal inserts with tailored polymer composite preforms through overmolding. Leveraging this proven manufacturing process, a lightweight seat back was designed through topology optimization and numerical simulations. The designed seat back uses AM metal inserts and compression overmolding of tailored polymer composite preforms obtained via large scale additive manufacturing. The metal polymer composite structures fabricated through this process exhibited enhancement in stiffness and improved ductility upon testing. Overall, the project provided an alternative design and manufacturing technique for automotive seat back that enables weight saving while meeting the safety and performance requirements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Interfacial Void Formation and Self-Healing in Oxide Scales on Al-containing High-Entropy Alloy

The exceptional high-temperature oxidation resistance of Al-containing high-entropy alloys (HEAs) is often attributed to the formation of a protective α-Al 2 O 3 scale. However, the dynamic, atomic-scale mechanisms governing the stability of this scale—including interfacial void formation and the often-postulated but rarely visualized “self-healing” capacity—remain poorly understood. Herein, we reveal the complex evolution of the triple-layer oxide scale on an Al 10 CoCrFeNi HEA through combined electron microscopy and diffraction study. We show that interfacial voids are an inherent consequence of the scaling process, originating from two distinct mechanisms: the Kirkendall effect at the interface between the γ-Al 2 O 3 /α-Al 2 O 3 and alloy driven by cationic diffusion imbalance and volumetric contraction due to phase transformations at the spinel/Cr 2 O 3 interface. Crucially, we provide microstructural evidence consistent with an intrinsic self-healing response. This process is driven by coupled inward diffusion of oxygen and outward diffusion of metal cations, leading to the in-situ formation of transient θ-Al 2 O 3 and spinel phases that partially fill and seal the voids. Here, these results provide atomic-scale insights into the phase evolution, defect formation, and self-repair of oxide scales in HEAs—highlighting pathways to enhance their oxidation resistance in extreme environments.

High-entropy alloy↗
DOE OSTI2022

Crystallization pathways and interfacial drivers for the formation of hierarchical architectures

The development of structural hierarchy on various length scales during crystallization process is ubiquitous in biological systems and is also observed in synthetic nanomaterials. The driving forces for the formations of complex architectures range from local interfacial interactions, that modify interfacial speciation, local supersaturation, and nucleation barriers, to macroscopic interparticle forces. Although it is enticing to interpret the formation of hierarchical architectures as the assembly of independently nucleated building blocks, often crystallization pathways follow monomer-by-monomer addition with structural complexity arising from interfacial chemical coupling and strongly correlated fluctuation dynamics in the electric double layers. Here, the mechanism of the development of structural hierarchy through heterogeneous nucleation, coupled interfacial nucleation and assembly, and oriented attachment of independently nucleated particles is discussed. In this article, the emphasis is made on the discussion of the underlying interfacial forces and chemical coupling that drives crystallization pathways towards the formation of structural hierarchy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ambient-Pressure Chemical Recycling of Thermoset Carbon Fiber-Reinforced Polymers via Low-Temperature Solvolysis: Techno-Economic and Life-Cycle Assessment

Carbon fiber-reinforced polymer (CFRP) waste is rapidly accumulating, with global volumes projected to exceed 500,000 tons annually by 2050. Virgin carbon fiber production is extremely energy- and cost-intensive, and growing demand has intensified supply-chain vulnerabilities associated with precursor availability and reliance on critical materials. Scalable recycling technologies therefore offer not only environmental benefits but also opportunities to reduce material costs and strengthen domestic composite supply chains. This study introduces an efficient, mild chemical recycling method for epoxy-amine CFRPs, utilizing acetic acid (80 wt%) and zinc acetate (1 wt%) at atmospheric pressure and low temperature (~110 °C). The solvolysis process preserves residual resin (~40%) on recycled carbon fibers (rCF), enhancing interfacial bonding in remanufactured composite materials. Recycled fibers retain ~90% of their mechanical properties, and recovered oligomers show potential for reuse in epoxy formulations, supporting material circularity. Techno-economic analysis (TEA) and life-cycle assessment (LCA) confirm the scalability and sustainability of this process.

Recycling CFRP↗
DOE OSTI2025

Mechanistic Insights into Oxygen Reduction Reaction on Metal Cathode Over BaZrO 3 -Based Electrolyte under Moist Atmosphere: Interfacial Interactions and Reaction Pathways

The oxygen reduction reaction (ORR) is a critical process that often governs the overall performance of electrochemical systems such as proton conducting solid oxide fuel cells. Despite its significance, the current understanding about the ORR, especially when it involves H 2 O is still limited. In this study, the proton involved ORR (PI-ORR) on metal cathode (e.g., Pt) over BaZrO 3 (BZO) electrolyte is investigated using density functional theory (DFT) under moist atmosphere. Two scenarios are considered: one at relatively high temperature (900 K) in the presence of oxygen vacancy in BZO substrate and one at relatively low temperature (700 K) without oxygen vacancy. We systematically explored oxygen vacancy effects on adsorption sites and proton transfer pathways, calculated energy profiles and Gibbs free energies for elementary steps along the O 2 dissociated and the O 2 concerted reaction pathways. We also evaluated H 2 O impacts on intermediate oxygen species (*O and *OH) through Ab Initio molecular dynamics. These analyses revealed pathway-dependent reaction mechanisms and hydration effects at triple-phase boundary, advancing fundamental understanding of PI-ORR in metal cathode/Ba-based electrolyte systems for energy applications.

08 - HYDROGEN↗
DOE OSTI2025

Dual interfacial H-bonding-enhanced deep-blue hybrid copper–iodide LEDs

Solution-processed light-emitting diodes based on non-toxic copper–iodide hybrids are a compelling solution for efficient and stable deep-blue lighting, owing to their tunability, high photoluminescence efficiency and environmental sustainability. Here we present a hybrid copper–iodide that shows near-unity photoluminescence quantum yield (99.6%) with an emission wavelength of 449 nm and colour coordinates (0.147, 0.087), alongside its emission mechanism and charge transport characteristics. Here, we use the thin film of this hybrid as the sole active emissive layer to fabricate deep-blue light-emitting diodes and subsequently enhance the device performance through a dual interfacial hydrogen-bond passivation strategy. This synergetic surface modification approach, integrating a hydrogen-bond-acceptor self-assembled monolayer with an ultrathin polymethyl methacrylate capping layer, effectively passivates both heterojunctions of the copper–iodide hybrid emissive layer and optimizes charge injections. We achieve a maximum external quantum efficiency of 12.57%, a maximum luminance of 3,970.30 cd m −2 with colour coordinates (0.147, 0.091) and an excellent operational stability (half-lifetime) of 204 hours under ambient conditions. We further showcase a large-area device of 4 cm 2 that maintains high efficiency. Our findings reveal the potential of copper–iodide-based hybrid materials for applications in solid-state lighting and display technologies, offering a versatile strategy for enhancing device performances.

14 SOLAR ENERGY↗
DOE OSTI2023

Energy-Resolved Femtosecond Hot Electron Dynamics in Single Plasmonic Nanoparticles

Efficient excitation and harvesting of hot carriers from nanoscale metals is central to many emerging photochemical, photovoltaic, and ultrafast optoelectronic applications. Nevertheless, direct experimental evidence of the energy-dependent femtosecond dynamics in ubiquitous tens-of-nanometer gold structures remains elusive, despite the potentially rich interplay between interfacial and internal plasmonic fields, excitation distributions, and scattering processes. To explore the effects of nanoscale structure on these dynamics, we employ simultaneous time-, angle-, and energy-resolved photoemission spectroscopy of single plasmonic nanoparticles. Photoelectron velocity and electric field distributions reveal bulk-like ballistic hot electron transport in different geometries, lacking any signatures of surface effects. Energy-resolved dynamics are measured in the 1–2 eV range and extrapolated to lower energies via Boltzmann theory, providing a detailed view of hot electron lifetimes within nanoscale gold. Here, we find that particles with relevant dimensions as small as 10 nm serve as exemplary platforms for studying intrinsic metal dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A purely kinetic description of the evaporation of water droplets

The process of water evaporation, although deeply studied, does not enjoy a kinetic description that captures known physics and can be integrated with other detailed processes such as drying of catalytic membranes embedded in vapor-fed devices and chemical reactions in aerosol whose volumes are changing dynamically. In this work, we present a simple, three-step kinetic model for water evaporation that is based on theory and validated by using well-established thermodynamic models of droplet size as a function of time, temperature, and relative humidity as well as data from time-resolved measurements of evaporating droplet size. Additionally, the kinetic mechanism for evaporation is a combination of two limiting processes occurring in the highly dynamic liquid-vapor interfacial region: direct first order desorption of a single water molecule and desorption resulting from a local fluctuation, described using third order kinetics. The model reproduces data over a range of relative humidities and temperatures only if the interface that separates bulk water from gas phase water has a finite width, consistent with previous experimental and theoretical studies. The influence of droplet cooling during rapid evaporation on the kinetics is discussed; discrepancies between the various models point to the need for additional experimental data to identify their origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗