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At least 541 records · Page 30

The effect of fluid flow due to the crystal-melt density change on the growth of a parabolic isothermal dendrite

The Ivantsov (1947) analysis of an isolated isothermal dendrite (with zero surface tension) growing into a supercooled liquid is extended to include the effects of the fluid flow due to volume contraction or expansion upon solidification. For an axisymmetric paraboloidal dendrite, an analytic solution to the Navier-Stokes equations is obtained. The magnitude of the flow is proportional to the relative density change epsilon, and the flow becomes negligible far from the surface of the dendrite. The temperature field consistent with this flow can also be found explicitly. The well-known expression that relates the dimensionless supercooling to the Peclet number in the absence of fluid flow is modified for nonzero epsilon, but the effect is of order epsilon and hence is seen to be minor for most values of epsilon and dimensionless supercooling that occur in practice.

Mcfadden, G. B.↗

Molecular Dynamics Investigation of Oil Wetting on Synthetic Polymer Substrates

Understanding the interaction of polymer surfaces with nonpolar, low surface tension liquids, or whether a substrate is oleophobic versus oleophilic, is critical for applications ranging from antifingerprint coatings to oil–water separation membranes and oil spill remediation. Despite its technological importance, the molecular mechanisms underpinning polymer–oil wetting are not well characterized. Here, we employ molecular dynamics simulations to investigate the behavior of n-hexadecane in contact with chemically distinct polymer surfaces, spanning eight constitutional unit chemistries as well as amorphous and crystalline morphologies. This permits a critical examination of both thermodynamic and dynamic descriptors of oleophobicity, including oil contact angle, dewetting free energy, interfacial diffusivity, and a proposed “ghost probe energy,” which does not require explicit simulation of oil–polymer interactions. We find that the oil contact angle does not reliably distinguish oleophobic behavior across polymer chemistries, whereas other metrics provide clearer and more consistent differentiation. Analysis of the results reveals that polymer–oil wetting behavior is primarily governed by interfacial van der Waals interactions and modulated by surface flexibility and morphology. Collectively, this work establishes a computational framework for characterizing oil wetting and provides additional insight into what molecular-level factors dictate trends in oleophobicity.

lipids↗

Liquid phase sintered compacts in space

A model that will explain the effect of gravity on liquid phase sintering was developed. Wetting characteristics and density segregation which are the two important phenomena in liquid phase sintering are considered in the model development. Experiments were conducted on some selected material combinations to study the gravity effects on liquid phase sintering, and to verify the validity of the model. It is concluded that: (1) The surface tension forces acting on solid particles in a one-g environment are not appreciably different from those anticipated in a 0.00001g/g sub 0 (or lower) environment. (2) The capillary forces are dependent on the contact angle, the quantity of the liquid phase, and the distance between solid particles. (3) The pores (i.e., bubbles) do not appear to be driven to the surface by gravity-produced buoyancy forces. (4) The length of time to produce the same degree of settling in a low-gravity environment will be increased significantly. (5) A low gravity environment would appear to offer a unique means of satisfactorily infiltrating a larger and/or complex shaped compact.

Mookherji, T. K.↗

Structure and Dynamics of Interfaces: Drops and Films

We aim to acquire measurements of the structure and dynamics of certain liquid-fluid interfaces using an ensemble of techniques in collaboration: (1) Total internal reflection (TIR) Surface light scattering spectroscopy (SLSS), (2) Brewster angle microscopy (BAM), and (3) Drop-shape analysis. SLSS and BAM can be done on a shared interfacial footprint. Results using a 50-50 mixture of pentane-isohexane, which extends the range of NASA's Confined Vapor Bubble (CVB) experiment, yield surface tension results that differ from the expected Langmuir Fit. These results were confirmed using both the SLSS and drop-shape analysis approaches.

pentane-isohexane mixture↗

Atomic Force Microscopy and Infrared Nanospectroscopy of COVID-19 Spike Protein for the Quantification of Adhesion to Common Surfaces

The COVID-19 pandemic has claimed millions of lives worldwide, sickened many more, and has resulted in severe socio-economic consequences. As society returns to normal, understanding the spread and persistence of SARS CoV-2 on commonplace surfaces can help to mitigate future outbreaks of coronaviruses and other pathogens. We hypothesize that such an understanding can be aided from studying the binding and interaction of viral proteins with non-biological surfaces. Here, we propose a methodology for investigating the adhesion of the SARS CoV-2 spike glycoprotein on common inorganic surfaces such as aluminum-, copper-, iron-, silica-, and ceria-oxides as well as metallic gold. Quantitative adhesion was obtained from the analysis of measured forces at the nanoscale using an atomic force microscope operated under ambient conditions. Without imposing further constraints on the measurement conditions, our preliminary findings suggest that spike glycoproteins interact with similar adhesion forces across the majority of the metal oxides tested with the exception to gold, for which attraction forces ~10 times stronger than all other materials studied were observed. Ferritin, which was used as a reference protein, was found to exhibit similar adhesion forces as SARS CoV-2 spike protein. Further, this study results show that glycoprotein adhesion forces for similar ambient humidity, tip shape, and contact surface are non-specific to the properties of metal oxide surfaces, which are expected to be covered by a thin water film. The findings suggest that at ambient conditions glycoprotein adhesion to metal oxides is primarily controlled by the water capillary forces and they depend on the surface tension of the liquid (water). We discuss further strategies warranted to decipher the intricate nanoscale forces for improved quantification of the adhesion.

59 BASIC BIOLOGICAL SCIENCES↗

Capillary Channel Flow (CCF) EU2-02 on the International Space Station (ISS): An Experimental Investigation of Passive Bubble Separations in an Open Capillary Channel

It would be signicantly easier to design fluid systems for spacecraft if the fluid phases behaved similarly to those on earth. In this research an open 15:8 degree wedge-sectioned channel is employed to separate bubbles from a two-phase flow in a microgravity environment. The bubbles appear to rise in the channel and coalesce with the free surface in much the same way as would bubbles in a terrestrial environment, only the combined effects of surface tension, wetting, and conduit geometry replace the role of buoyancy. The host liquid is drawn along the channel by a pump and noncondensible gas bubbles are injected into it near the channel vertex at the channel inlet. Control parameters include bubble volume, bubble frequency, liquid volumetric flow rate, and channel length. The asymmetrically confined bubbles are driven in the cross-flow direction by capillary forces until they at least become inscribed within the section or until they come in contact with the free surface, whereupon they usually coalesce and leave the flow. The merging of bubbles enhances, but does not guarantee, the latter. The experiments are performed aboard the International Space Station as a subset of the Capillary Channel Flow experiments. The flight hardware is commanded remotely and continuously from ground stations during the tests and an extensive array of experiments is conducted identifying numerous bubble flow regimes and regime transitions depending on the ratio and magnitude of the gas and liquid volumetric flow rates. The breadth of the publicly available experiments is conveyed herein primarily by narrative and by regime maps, where transitions are approximated by simple expressions immediately useful for the purposes of design and deeper analysis.

fluid dynamics↗

Numerical simulation of fluid flow and heat transfer in a thin liquid film over a stationary and rotating disk and comparison with experimental data

In the first section, improvements in the theoretical model and computational procedure for the prediction of film height and heat-transfer coefficient of the free surface flow of a radially-spreading thin liquid film adjacent to a flat horizontal surface of finite extent are presented. Flows in the presence and absence of gravity are considered. Theoretical results are compared to available experimental data with good agreement. In the presence of gravity, a hydraulic jump is present, isolating the flow into two regimes: supercritical upstream from the jump and subcritical downstream of it. In this situation, the effects of surface tension are important near the outer edge of the disk where the fluid experiences a free fall. A region of flow separation is present just downstream of the jump. In the absence of gravity, no hydraulic jump or separated flow region is present. The variation of the heat-transfer coefficient for flows in the presence and absence of gravity are also presented. In the second section, the results of a numerical simulation of the flow field and associated heat transfer coefficients are presented for the free surface flow of a thin liquid film adjacent to a horizontal rotating disk. The computation was performed for different flow rates and rotational velocities using a 3-D boundary-fitted coordinate system. Since the geometry of the free surface is unknown and dependent on flow rate, rate of rotation, and other parameters, an iterative procedure had to be used to ascertain its location. The computed film height agreed well with existing experimental measurements. The flow is found to be dominated by inertia near the entrance and close to the free surface and dominated by centrifugal force at larger radii and adjacent to the disk. The rotation enhances the heat transfer coefficient by a significant amount.

Faghri, Amir↗

Microphysics of liquid water in sub-10 nm ultrafine aerosol particles

Abstract. Ultrafine aerosol particles with sizes smaller than 50 nm have been shown in recent studies to serve as a large source of cloud condensation nuclei that can promote additional cloud droplet formation under supersaturation conditions. Knowledge of the microphysics of liquid water in these droplets remains limited, particularly in the sub-10 nm particle size range, due to experimental and theoretical challenges associated with the complexity of aerosol components and the small length scales of interest (e.g., difficulty of precisely sampling the liquid–air interface, questionable validity of mean-field theoretical representations). Here, we carried out molecular dynamics (MD) simulations of aerosol particles with diameters between 1 and 10 nm and characterized atomistic-level structure and water dynamics in well-mixed and phase-separated systems with different particle sizes, NaCl salinities, and pimelic acid (PML) organic surface loadings as a function of distance from the time-averaged Gibbs dividing interface or instantaneous water–air interface. We define a sphericity factor (ϕ) that can shed light on the phase-mixing state of nanodroplets, and we reveal an unexpected dependence of mixing state on droplet size. Our results also evidence an ion concentration enhancement in ultrafine aerosols, which should modulate salt nucleation kinetics in sub-10 nm droplets, and provide detailed characterization of the influence of droplet size on surface tension and on water self-diffusivity near the interface. Analysis of water evaporation free energy and water activity demonstrates the validity of the Kelvin equation and Köhler theory at droplet sizes larger than 4 nm under moderate salinities and organic loadings and the need for further extension to account for ion concentration enhancement in sub-10 nm aerosols, droplet-size-dependent phase separation effects, and a sharp decrease in the cohesiveness of liquid water in sub-4 nm droplets. Finally, we show that an idealized fractional surface coating factor (fs) can be used to categorize and reconcile water accommodation coefficients (α*) observed in MD simulations and experimental results in the presence of organic coatings, and we resolve the droplet size dependence of α*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Surface Instability of Liquid Propellants in Microgravity During Pulsed Settling Operations

Pulsing reaction control system (RCS) thrusters, vent valves, or other propulsion devices can preserve propellant resources in space, but this operation also effectively introduces a vibration to the vehicle. When the vibration is perpendicular to the liquid propellant surface, Faraday waves may be generated at the liquid-vapor interface. These Faraday instabilities can perturb or break up the liquid surface of cryogenic tanks, leading to inefficiencies in thermal management or even ullage collapse. Drawing from theory and experiments, an engineering model defining the allowable design regions for pulsed settling in microgravity was assembled and verified with computational fluid dynamics (CFD) simulations. A traditional settling metric, the Bond number, was also overlaid in the model to indicate which duty cycles were insufficient to overcome surface tension and aggregate propellant. Mission planners and engineers can consult the tool to rapidly evaluate the stability of a liquid-vapor interface given the pulse frequency and the excitation acceleration. Expressions developed for Faraday waves induced by a sinusoidal forcing input at standard gravity were found to provide excellent predictive capabilities for pulsed, or rectangular, waveforms in the absence of a consistent gravitational acceleration. This study extends the usage of these equations to an alternative forcing function and microgravity environments for the purpose of estimating natural frequencies, surface mode shapes, surface wave amplitudes, and the onset of droplet ejection. CFD simulations with the Loci/STREAM-VoF (Volume of Fluid) solver were initially validated against experimental results in standard gravity. Discrete points on the design map were then investigated with CFD and confirmed that the engineering model reliably indicates surface stability and most Faraday wave characteristics without requiring higher-fidelity tools. The engineering model is highly extensible and can be adapted for various propellant fill fractions, fluid properties, and tank sizes.

Faraday Waves↗

Surface Instability of Liquid Propellants in Microgravity During Pulsed Settling Operations

Pulsing reaction control system (RCS) thrusters, vent valves, or other propulsion devices can preserve propellant resources in space, but this operation also effectively introduces a vibration to the vehicle. When the vibration is perpendicular to the liquid propellant surface, Faraday waves may be generated at the liquid-vapor interface. These Faraday instabilities can perturb or break up the liquid surface of cryogenic tanks, leading to inefficiencies in thermal management or even ullage collapse. Drawing from theory and experiments, an engineering model defining the allowable design regions for pulsed settling in microgravity was assembled and verified with computational fluid dynamics (CFD) simulations. A traditional settling metric, the Bond number, was also overlaid in the model to indicate which duty cycles were insufficient to overcome surface tension and aggregate propellant. Mission planners and engineers can consult the tool to rapidly evaluate the stability of a liquid-vapor interface given the pulse frequency and the excitation acceleration. Expressions developed for Faraday waves induced by a sinusoidal forcing input at standard gravity were found to provide excellent predictive capabilities for pulsed, or rectangular, waveforms in the absence of a consistent gravitational acceleration. This study extends the usage of these equations to an alternative forcing function and microgravity environments for the purpose of estimating natural frequencies, surface mode shapes, surface wave amplitudes, and the onset of droplet ejection. CFD simulations with the Loci/STREAM-VoF (Volume of Fluid) solver were initially validated against experimental results in standard gravity. Discrete points on the design map were then investigated with CFD and confirmed that the engineering model reliably indicates surface stability and most Faraday wave characteristics without requiring higher-fidelity tools. The engineering model is highly extensible and can be adapted for various propellant fill fractions, fluid properties, and tank sizes.

Faraday Waves↗

The Effect of Viscosity on the Spherical Stability of Oscillating Gas Bubbles

Gas bubbles driven in radial oscillations are subject to an instability of the spherical shape that is opposed by surface tension and viscosity. An exact linear formulation for the study of the phenomenon has been available for many years, but its complexity has discouraged a detailed investigation. With the recent theory of sonoluminescence of Lohse and co-workers, there has been a renewed interest in the problem and new data have become available. This paper presents a numerical method for the solution of the pertinent equations and compares the theory with these new data. The coupling of the strong nonlinearity of the bubble radial oscillations with the parametric mechanism of the surface instability results in a very complex structure for the stability boundary. Nevertheless, a good agreement between theory and data is found. A comparison with earlier approximate models is also made.

Hao, Y.↗

Framework for phase transitions between the Maxwell and Gibbs constructions

By taking the nucleon-to-quark phase transition within a neutron star as an example, we present a thermodynamically consistent method to calculate the equation of state of ambient matter so that transitions that are intermediate to those of the familiar Maxwell and Gibbs constructions can be described. This method does not address the poorly known surface tension between the two phases microscopically (as, for example, in the calculation of the core pasta phases via the Wigner-Seitz approximation) but instead combines the local and global charge neutrality conditions characteristic of the Maxwell and Gibbs constructions, respectively. Overall charge neutrality is achieved by dividing the leptons to those that obey local charge neutrality (Maxwell) and those that maintain global charge neutrality (Gibbs). The equation of state is obtained by using equilibrium constraints derived from minimizing the total energy density. The results of this minimization are then used to calculate neutron star mass-radius curves, tidal deformabilities, equilibrium and adiabatic sound speeds, and nonradial g-mode oscillation frequencies for several intermediate constructions. Various quantities of interest transform smoothly from their Gibbs structures to those of Maxwell as the local-to-total electron ratio η, introduced to mimic the hadron-to-quark interface tension from 0 (Gibbs) to ∞ (Maxwell), is raised from 0 to 1. As a result, a notable exception is the g-mode frequency for the specific case of η = 1 for which a gap appears between the quark and hadronic branches.

79 ASTRONOMY AND ASTROPHYSICS↗

Characterization of voids formed during liquid impregnation of nonwoven multifilament glass networks as related to composite processing

A technique based on matching the refractive index of an invading liquid to that of a fiber mat was used to study entrapment of air ('voids') that occurs during forced in-plane radial flow into nonwoven multifilament glass networks. The usefulness of this technique is demonstrated in quantifying and mapping the air pockets. Experiments with a series of fluids with surface tensions varying from 28 x 10(exp -3) to 36 x 10(exp -3) N/m, viscosities from 45 x 10(exp -3) to 290 x 10(exp -3) Pa.s, and inlet flow rates from 0.15 x 10(exp -6) to 0.75 x 10(exp -6) m(exp 3)/s, showed that void content is a function of the capillary number characterizing the flow process. A critical value of capillary number, Ca = 2.5 x 10(exp -3), identifies a zone below which void content increases exponentially with decreasing capillary number. Above this critical value, negligible entrapment of voids is observed. Similar experiments carried out on surface treated nonwoven mats spanning a range of equilibrium contact angles from 20 deg to 78 deg showed that there is a critical contact angle above which negligible entrapment is observed. Below this value, there is no apparent effect of contact angle on the void fraction - capillary number relationship described earlier. Studies on the effect of filament wettability, and fluid velocity and viscosity on the size of the entrapment (voids) were also carried out. These indicate that larger sized entrapments which envelop more than one pore are favored by a low capillary number in comparison to smaller, pore level bubbles. Experiments were carried out on deformed mats - imposing high permeability spots at regular intervals on a background of low permeability. The effect of these spatial fluctuations in heterogeneity of the mat on entrapment is currently being studied.

Mahale, Anant D.↗

Surface Charge at an Oil/Water Interface Promoting the Enhancement and Assignment of Water Combination Bands

Given the different polarities and distinct chemical structures, it is no wonder that oil and water are incompatible neighbors. They can be forced to cooperate if provided sufficient energy or a suitable intermediary. Emulsions are the result of such a cooperation, where an emulsifying agent (the intermediary) in the form of a surfactant or a cocktail of surface stabilizing compounds allows for the ‘mixing’ of oil and water. Surfactant stabilized emulsions that are nanoscale in size (nanoemulsions) have caught the attention of many because of their newly discovered use in the synthesis of nanomaterials, oil recovery, drug delivery, and food science. Unlike smaller emulsions (e.g. microemulsions with 2-20 nm diameters), very little is known about the molecular level properties of nanoemulsions (NEs) whose diameters are in the 100-500 nm range. One thing that is well known is the macroscopic properties of droplets from these two size regimes are dramatically different, often for reasons not yet fully understood. Nanoemulsions do not form spontaneously and require an external shear beyond ordinary procedures used to create micelles. This shear is required to overcome the effects of surface tension and create droplets in the nanoscale regime. Once formed, however, they can be stable for long periods of time, making them very attractive for commercial and pharmaceutical products requiring a long shelf life. What is not well known is the interfacial molecular processes that lead to the formation and stability of nanoemulsions including those stabilized by surfactants and/or polymers. Such knowledge is important in understanding the molecular structure-function relationship that assists in predicting what additives and solvents are necessary for a specific application. Key to advancing nanoemulsion utility is to develop the needed molecular-level understanding of the structure and bonding interactions present at the surface of these soft nanoparticles.

36 MATERIALS SCIENCE↗

Hydrophobicity of Cryogenic Fluids for Fuel Transfer in Space Applicaitons

Introduction Hydrophobicity is the tendency of a fluid to repel another material or fluid. Hydrophobiciy can be measured through the wetting angle of the fluid on the surface of the other material. The greater the wetting angle, the more hydrophobic the surface is against the fluid. Hydrophobicity properties can be caused by one of two means, either through physical properties or chemical properties [\citenum{NARBUTT2020121}]. Physical hydrophobicity due to the surface of a solid creating surface roughness/patterning, minimizing the contact area between the fluid and the surface. This can be observed throughout nature, such as the surface of lotus leaves or butterfly wings. This physical property can be induced on a variety of surfaces, namely through laser etching, allowing a surface to be finely lineated to imitate these natural surfaces while controlling quantity, depth, and patterns of the etching on the surface [\citenum{10.1063/1.4905616}]. Physical hydrophobicity is therefore dependent on several variables, including the surface that the fluid is on and properties of the fluid itself, such as density and surface tension, both of which are dependent on temperature and/or pressure. Chemical hydrophobicity [\citenum{MadeiraHydrophobocicicici}] is due to the inherent chemical properties of the materials being used. This is most commonly due to the molecular structures changing the polarity of the materials. Depending on a nonpolar material will repel a polar material, proving to be hydrophobic, conversely if the polarity of the materials is the same (polar – polar, nonpolar – nonpolar), they will attract each other. Cryogenics refers to the behavior of materials at very low temperatures (<\ang{-100} C) [\citenum{ZOHURI20181}]. In space applications many things are inherently cryogenic, therefore this is an important field. There has been little research in how hydrophobicity changes at cryogenic temperatures. Cryogenic fluids are commonly used as fuels for spacecraft, therefore, integrating a hydrophobic surface can increase the transfer rate of the fuel. To test this, several experiments were set up to determine the hydrophobic properties of cryogenic fluids, including nitrogen (LN2), argon (LAr), oxygen (LOx), hydrogen (LH2), and methane (CH4), at cryogenic temperatures. Etched Wafer Testing A silicon wafer cut from a crystal of silicon [100] was used to model the potential hydrophobicity of various cryogenic fluids. Silicon [100] references to the crystallographic orientation of the silicon crystals in the wafer. These wafers were then laser etched to create a surface that is more likely to be hydrophobic. To test the hydrophobicity of the wafers at cryogenic temperatures, the temperatures of the wafers must be reduced to the same temperature as the cryogenic fluid being used to prevent rapid boil-off. To achieve this a double-walled vacuum insulated glass chamber was utilized. The chamber is open, with a double-walled glass that can be placed in a vacuum to remove condensation from the outside to allow easier viewing of the experiment. Furthermore, the silicon wafer's temperature must be lowered to the temperature of LN2, as well as maintain the temperature throughout the experiment. To achieve this a piece of 6061 aluminum was used, creating a stand-off for the wafer and it would allow for the insulation of the temperature of the wafers. The container was then filled with LN2 and once the LN2 stabilized the vaporization and the levels of LN2 dropped under the height of the wafer, the wafer was then allowed to air dry. Once the wafer was dry from the LN2, drops of LN2 were placed on the surface of the wafer for observation. During the first trial, the LN2 that was dropped on the surface displayed nonhydrophobic behaviors, spreading out along the surface, with a minimal wetting angle (too small to be measured). This process was repeated for liquid argon. Further testing with other cryogenic liquids will require different testing apparatuses due to being more volatile. Furthermore, several papers [\citenum{voltvolt7}] have suggested that running a voltage can induce a hydrophobic effect throughout a surface, further testing will include a voltage (constant and oscillating) to determine if voltage influences inducing hydrophobicity at cryogenic temperatures. Chemical Testing Coating the interior walls of the fuel tanks and fuel lines can successfully create a hydrophobic surface. The inherent problem is finding a material that can be used to coat the surface, furthermore, at these temperatures, the coating will remain solid, which could pose issues in maintaining the hydrophobic properties. To test this water (polar) is hydrophobic against oils and fats (nonpolar), therefore the same experiment as the etched wafer testing was conducted to determine if the hydrophobic properties will persist as the nonpolar material remains solid and the polar material remains a fluid. The water remained hydrophobic, allowing testing can expand to the cryogenic fluids. However, another hurdle is faced in finding a chemically opposite material to the cryogenic fluids being tested. As many of the cryogenic fluids being tested are diatomic, they are inherently nonpolar, therefore, the material used for the hydrophobic coating must be polar. Polar greases and lubricants are difficult to come by, however, lithium stearate, appears to be a potential candidate for creating a coated hydrophobic surface for cryogenic fluids at cryogenic temperatures.

Cryogenics↗

Extending the capillary wave model to include the effect of bending rigidity: X-ray reflectivity and diffuse scattering

The surface roughness of a thin film at a liquid interface exhibits contributions of thermally excited fluctuations. This thermal roughness depends on temperature (𝑇), surface tension (𝛾), and elastic material properties, specifically the bending modulus (𝜅) of the film. A nonzero 𝜅 suppresses the thermal roughness at small length scales compared to an interface with zero 𝜅, as expressed by the power spectral density of the thermal roughness. The description of the x-ray scattering of the standard capillary wave model (CWM), which is valid for zero 𝜅, is extended to include the effect of 𝜅. The extended CWM (eCWM) provides a single analytical form for both the specular x-ray reflectivity (XRR) and the diffuse scattering around the specular reflection, and recovers the expression of the CWM at its zero 𝜅 limit. This theoretical approach enables the use of single-shot grazing incidence x-ray off-specular scattering (GIXOS) measurements for characterizing the structure of thin films on a liquid surface. The eCWM analysis approach decouples the thermal roughness factor from the surface scattering signal, providing direct access to the intrinsic surface-normal structure of the film and its bending modulus. Moreover, the eCWM facilitates the calculation of reflectivity at any desired resolution (pseudo-XRR approach). The transformation into pseudo-XRR provides the benefit of using widely available XRR software to perform GIXOS analysis. The extended range of the vertical scattering vector (𝑄 𝑧 ) available with the GIXOS pseudo-XRR approach allows for a higher spatial resolution than with conventional XRR. Experimental results are presented for various lipid systems, showing strong agreement between conventional specular XRR and pseudo-XRR methods. This agreement validates the proposed approach and highlights its utility for analyzing soft, thin films.

36 MATERIALS SCIENCE↗

Synergistic Assembly of Charged Oligomers and Amino Acids at the Air–Water Interface: An Avenue toward Surface-Directed CO 2 Capture

Interfaces are considered a major bottleneck in the capture of CO 2 from air. Efforts to design surfaces to enhance CO 2 capture probabilities are challenging due to the remarkably poor understanding of chemistry and self-assembly taking place at these interfaces. In this report we leverage surface-specific vibrational spectroscopy, Langmuir trough techniques, and simulations to mechanistically elucidate how cationic oligomers can drive surface localization of amino acids (AAs) that serve as CO 2 capture agents speeding up the apparent rate of absorption. We demonstrate how tuning these interfaces provides a means to facilitate CO 2 capture chemistry to occur at the interface, while lowering surface tension and improving transport/reaction probabilities. We show that in the presence of interfacial AA-rich aggregates, one can improve capture probabilities vs that of a bare interface, which holds promise in addressing climate change through the removal of CO 2 via tailored interfaces and associated chemistries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fluid models and simulations of biological cell phenomena

The dynamics of coated droplets are examined within the context of biofluids. Of specific interest is the manner in which the shape of a droplet, the motion within it as well as that of aggregates of droplets can be controlled by the modulation of surface properties and the extent to which such fluid phenomena are an intrinsic part of cellular processes. From the standpoint of biology, an objective is to elucidate some of the general dynamical features that affect the disposition of an entire cell, cell colonies and tissues. Conventionally averaged field variables of continuum mechanics are used to describe the overall global effects which result from the myriad of small scale molecular interactions. An attempt is made to establish cause and effect relationships from correct dynamical laws of motion rather than by what may have been unnecessary invocation of metabolic or life processes. Several topics are discussed where there are strong analogies droplets and cells including: encapsulated droplets/cell membranes; droplet shape/cell shape; adhesion and spread of a droplet/cell motility and adhesion; and oams and multiphase flows/cell aggregates and tissues. Evidence is presented to show that certain concepts of continuum theory such as suface tension, surface free energy, contact angle, bending moments, etc. are relevant and applicable to the study of cell biology.

Greenspan, H. P.↗