No description available.

No description available.

We employ molecular dynamics simulations to investigate the evaporation process of nanosized droplets adsorbed on a substrate. Beads interacting with each other via Lennard-Jones (LJ) potentials are used to construct the simulation systems. The solid substrate contains 6 layers of beads forming a face-centered-cubic lattice. The bottom 3 layers are held rigid while the rest is kept at a constant temperature with a Langevin thermostat. A liquid droplet, consisting of LJ beads as well, is placed on top of the substrate. An appropriate amount of vapor beads are also supplied to the simulation box to help establish liquid-vapor equilibrium. To ensure adsorption, a stronger attraction is rendered between the droplet and a circular patch of 3 layers of beads at the center of the substrate surface while the rest of the substrate is made non-sticky for the fluid beads. During equilibration, the droplet and vapor are maintained at the same temperature as the thermalized substrate. After relaxation, the droplet adheres to the attractive patch as expected. Then a deletion zone is introduced into the top part of the vapor region. Fluid beads in this zone are removed at a given rate. To ensure that the evaporation dynamics and kinetics are properly captured, only the thermalized substrate is kept at the constant temperature during droplet evaporation. To carry out steady-state evaporation, the removed beads are reintroduced into a channel through the substrate and right below the droplet's center. These beads are then supplied to the droplet, compensating for the evaporation loss at the droplet surface. When the evaporation rate and the insertion rate are balanced, the system enters a steady state with the droplet undergoing continuous evaporation and its contact line pinned at the boundary of the attractive patch on the substrate. A one-to-one correspondence is found between the evaporation rate and the total number of fluid beads in the simulation box, as well as the contact angle of the droplet. Using this steady nonequilibrium system, we have mapped out the flow, temperature, and density fields inside and around the evaporating droplet as well as the local evaporation flux along the droplet surface with unprecedented resolutions. The results are used to test the existing theories on sessile droplet evaporation. / Master of Science / Droplet evaporation is a widespread natural phenomenon with numerous applications across various fields. While there has been extensive research on droplet evaporation, it remains a challenge to characterize the interior of the droplet and the local evaporation behavior on the droplet surface. Here we employ molecular dynamics (MD) simulation to model a nanosized droplet adsorbed on a substrate, which evaporates continuously while maintains a constant shape. This is realized by supplying the evaporated fluid back to the bottom of the droplet through an in-silico approach. Such a steady-evaporation system allows us to accurately map out the internal capillary flow of the evaporating droplet with a pinned contact line, where the droplet, vapor, and substrate meet. We find that local evaporation occurs faster near the contact line than at the apex of the droplet.

<p>Reaction kinetics of copper sulphide matte (Cu₂S) with an oxidizing slag was investigated. Silica-saturated fayalite (2FeO.SiO₂) slag was synthesized by melting powder mixtures of iron, silica and hematite with respective ratios of 1:2:3.6 at high temperatures. Experiments were performed in an inert atmosphere using a high-temperature furnace equipped with X-ray fluoroscopy and pressure transducer. The effect of temperature (1400 – 1475 °C) and matte droplet size (0.5 – 2 g) on desulphurization rate was evaluated. Chemical titration was performed on quenched slag samples synthesized at different temperatures in order to determine the amounts of Fe²⁺ and Fe³⁺ in the slags. Slag/matte samples quenched from high temperatures were extensively analyzed by means of optical microscope as well as scanning electron microscope (SEM), the latter equipped with an energy dispersive X-ray spectrometer (EDS). EDS analysis of the quenched samples showed that some areas of pure Cu were formed inside the matte droplets. It indicated that desulphurization reaction indeed has taken place and copper was formed as the product. In addition, EDS showed that some Fe-rich areas were formed inside the matte droplets. Gas halo formation around the droplets was confirmed by X-ray fluoroscopy observations. Additionally, it was seen that dome-like bubbles formed during high-temperature experiments on top of the matte droplets with mass equal to 0.75-gram or larger. In contrast to Fe-C metal droplets in contact with oxidizing slags, no droplet swelling was detected in this study. Reaction kinetics investigations showed that initial desulphurization rate increased with increasing temperature and matte droplet size. In fact, it was shown that rate increased linearly with matte droplet surface area. Finally, mass transfer in the slag phase and mass transfer in the gas halo formed around the droplet were found to be the rate-controlling mechanisms prior to and after gas halo formation, respectively.</p> / Master of Applied Science (MASc)

Binder jet additive manufacturing (BJ) offers unique advantages, including the ability to produce complex geometries and utilize a wide range of materials, but faces challenges related to part quality and defect formation. This thesis investigates the effects of process parameters on droplet-powder interaction, powder relocation, and line formation in BJ printing. A custom BJ test platform was developed to enable precise control over key process parameters and in-situ monitoring. High-speed synchrotron X-ray imaging revealed modes of powder relocation above and below the powder bed surface. Testing revealed that parameters that increase moisture in the powder bed, such as lower droplet spacings, printing adjacent to previously printed geometry, and pre-wetting, reduce powder disturbance. Powder ejection above the powder bed surface was found to be affected by powder material, density, pre-wetting, previously printed geometry, and droplet spacing. Powder relocation below the powder bed surface was found to be largely independent of binder infiltration behavior, suggesting that powder relocation below the powder bed surface is driven by the kinetic impact of the droplet. A novel approach for analyzing printed lines demonstrated the sensitivity of line formation to various parameters, including droplet spacing, inter-arrival time, volume, and velocity. Lines were found to ball more readily at lower droplet spacings when printing at lower droplet velocities, although other coupled droplet parameters such as droplet volume and formation of satellite droplets also play a role. In printing conditions susceptible to balling, the droplets at the beginning of printed lines were observed to agglomerate, relocating powder and introducing error to the starting position of the line. Pre-wetting the powder bed with a water/TEG mixture significantly reduced balling and increased the range of droplet spacings and inter-arrival times resulting in successful line formation. Printing with low droplet velocities on moisture treated powder beds further increased the range of inter-arrival times that successfully formed lines. Reducing the kinetic energy of droplet impact by reducing droplet velocity and reducing the impact of balling by pre-wetting presents a set of process print process parameters that show promise to reduce powder relocation during the printing process. These findings provide valuable insights into the fundamental mechanisms of droplet-powder interaction, modes of powder relocation during printing that may contribute to porosity defects seen in final parts, and print process parameters that mitigate powder relocation due to droplet-powder interaction.

This dissertation presents the development of a modeling scheme that is developed to model the membrane potentials and ion currents through a bilayer network system. The modeling platform builds off of work performed by Hodgkin and Huxley in modeling cell membrane potentials and ion currents with electrical circuits. This modeling platform is built specifically for cell mimics where individual aqueous volumes are separated by single bilayers like the droplet-interface-bilayer. Applied potentials in one of the aqueous volumes will propagate through the system creating membrane potentials across the bilayers of the system and ion currents through the membranes when proteins are incorporated to form pores or channels within the bilayers. The model design allows the system to be divided into individual nodes of single bilayers. The conductance properties of the proteins embedded within these bilayers are modeled and a finite element analysis scheme is used to form the system equations for all of the nodes. The system equation can be solved for the membrane potentials through the network and then solve for the ion currents through individual membranes in the system. A major part of this work is modeling the conductance of the proteins embedded within the bilayers. Some proteins embedded in bilayers open pores and channels through the bilayer in response to specific stimuli and allow ion currents to flow from one aqueous volume to an adjacent volume. Modeling examples of the conductance behavior of specific proteins are presented. The examples demonstrate aggregate conductance behavior of multiple embedded proteins in a single bilayer, and at examples where few proteins are embedded in the bilayer and the conductance comes from a single-channel or pore. The effect of ion gradients on the single channel conductance example is explored and those effects are included in the single-channel conductance model. Ultimately these conductance models are used with the system model to predict ion currents through a bilayer or through part of a bilayer network system. These modeling efforts provide a modeling tool that will assist engineers in designing bilayer network systems. / Ph. D.

Fog harvesting is emerging as a promising means to ease the water shortage crisis in arid regions of the world with ample fog. The current state-of-the-art for fog harvesting is mesh netting, which is accessible yet struggles from a dual constraint: a course mesh lets most microscopic fog droplets pass through it, while a fine mesh clogs. In recent years, fog harps have been gaining attention as a superior alternative to meshes, bypassing these inherent constraints. In this work, we expand upon previous fog harp research with a focus on optimization. First, we analyze wire tangling in a harp due to capillary forces, resulting in a mathematical model that is able to predict when wire tangling will occur. Second, we systematically vary three key parameters of a fog harp (wire material, center-to-center wire pitch, and wire length), arriving at an optimal combination. Finally, we develop a numerical model to describe the dynamics of a fog droplet sliding down a harp wire while coalescing with others littered along it. By applying all knowledge acquired through these studies, the next generation of fog harps will push the performance ceiling of practical fog harvesters higher than ever. / Master of Science / The human population continues to grow, and with it the demand for fresh water. This need has caused many to turn to unconventional sources of water, including fog (the suspension of microscopic liquid water droplets in the air). Fog harvesters already exist in arid regions of the world as mesh nets, but suffer dual constraints from their grid-like structure: course meshes fail to capture most fog droplets passing through, while fine meshes get clogged. To bypass these inherent limits, we turn to nature for a solution. It has been observed that California redwood trees are able to effectively collect fog on their straight leaf needles, dripping droplets to the roots below. Inspired by this, we fabricate a device called a fog harp, which removes the impeding horizontal wires of meshes to effectively capture and slide droplets down its vertical wires. In this work, we expand upon previous fog harp research by investigating ways to optimize its water collection efficiency. First, we develop a mathematical model to describe the tangling of harp wires due to merging droplets on adjacent wires pulling them together. Second, we systematically vary three key parameters of the fog harp (wire material, center-to-center wire spacing, and wire length) to arrive at the optimal combination. Finally, we develop a model to describe the dynamics of droplets sliding down harp wires while merging with others littered along it. These studies will raise the performance ceiling of fog harps and push them to real-world applications.

A computational model is developed to simulate the impact dynamics of a droplet on solid substrates with the purpose of predicting the droplet spreading characteristics over time. Previous studies focused on finding relations between the impact parameters and outcome dynamics. A modified approach like the one used in this project revolves around modeling the moving contact lines at the interface in a multiphase flow environment. Focusing on research from an aircraft de-icing point of view, this study is considered a prerequisite in understanding the physics of droplet impact. The primary focus is on extending the application to incorporate super-cooled environments. Development of the model involved the use of the Volume-of-Fluid function coupled with the High-Resolution Interface Capturing scheme to model the moving contact line. The evolution of the moving contact line is modeled with contact angles as their inputs to understand the effect of the surface tension forces. Contact angle modeling is based on the Blended-Kistler method, which captures the contact angle evolution based on the surface tension and capillary number. Preliminary validation performed on the model proves its effectiveness in accurately simulating the impact behavior when compared to the literature, where the spread diameter and height agree well with experiments. The validated model is also compared to the in-house experiments performed at the Cavitation and Multiphase flow laboratory using different substrate materials. The substrates each show unique behavior - Impact on Glass results in the droplet depositing on the surface. Aluminum results in a full rebound and PET-G, results in a drop ejection. Based on inputs from the experiments - contact angles, spread diameter, and the maximum spread $beta$, show good agreement in comparison to the literature. / Master of Science / Computational model developed to simulate the impact dynamics of the droplet on solid surfaces, which predicts the evolution of the droplet over time in order to analyze the effect of the surface and properties of the fluid on the behavior of the droplet on impact. Focusing on research from an aircraft de-icing point of view, this study is considered a pre-requisite in understanding the physics of droplet impact, with potential scope in extending the simulation to applications at temperatures lower than $0^{circ}$ C. A model developed with the help of basic governing equations in fluid mechanics helps capture the effect of interactions between different physical states. The angle at which the droplet interacts with the surface (Contact Angle) and the diameter evolution (d/D) help us understand the effectiveness of the model to simulate droplet impact. Preliminary validation of the model is performed with respect to the literature where the droplet diameter evolution and the height variation match well with the experiments, which was the major criterion in determining the accuracy of the model. This model is compared to the in-house experiments performed at the Cavitation and Multiphase flow laboratory on different surfaces such as Glass, Aluminum, and Plastic (PET-G). The surfaces each show unique behavior with impact on Glass having the droplet deposit on the surface, aluminum resulting in the droplet bouncing after hitting the surface, and PET-G resulting in a small droplet being ejected from the bigger droplet which eventually deposits on the surface. Conclusions from the comparison between the experiments and the numerical simulation show how the model is effective in capturing the impact behavior on surfaces like glass in comparison to surfaces like Aluminum in this case that repels water.

The formation of lipid bilayer membranes between droplets of ionic liquid is presented as a means of forming functional bimolecular networks for use in sensor applications. Ionic liquids are salts that have a number of useful properties, such as low melting points making them liquid at room temperature and exceedingly low vapor pressure. Ionic liquids have seen recent popularity as environmentally friendly industrial solvent alternatives. Our research demonstrates that it is possible to consistently form lipid bilayers between droplets of ionic liquid solutions. Analysis shows that the ionic liquids have negligible effects on the physical stability and electrical properties of the bilayer. It is also shown that the magnitude of the conductance levels of Alamethicin peptide are altered by some ionic liquids. / Master of Science

During this investigation, vibration induced droplet generation from a liquid layer was examined as a means for achieving high heat flux evaporative cooling. Experiments were performed in which droplets were generated from a liquid layer using a submerged vibrating piezoelectric driver. Parameters determined during this investigation of droplet generation were droplet mass flow rate, droplet size, driver frequency, driver voltage, and liquid layer thickness. The results showed that as the liquid layer thickness was increased, the frequencies and frequency ranges at which droplet generation occurred decreased. Droplet mass flow rates were varied by adjustment of the liquid layer thickness, driver frequency, and driver voltage. The dependence of the drivers displacement, velocity, and acceleration on frequency and voltage was determined, and the drivers frequency response was related to the occurrence of droplet generation. As a result, a frequency-dependent dimensionless parameter was proposed as a method for predicting droplet generation from the surface of the liquid layer. The dimensionless parameter is a combination of the Froude number and the dimensionless driver acceleration. The measurements have shown that droplet generation occurs when the parameter is between distinct upper and lower bounds. An analytical heat transfer model of a droplet cooling heat transfer cell was developed to simulate the performance of such a cell for thermal management applications. Using droplet flow rates determined as functions of driver voltage, driver frequency, liquid layer thickness, and interception distance, the heat transfer rate of a droplet cooling heat transfer cell was predicted for varied heat source temperatures and cell conditions. The heat transfer model was formulated in such a way as to accommodate a number of parameter variations that can be used for the design of a simple heat transfer cell. The model was used to determine the effect of droplet cooling on the heat transfer rate from a heated surface, but it can also be used to determine the influence of any of the other embodied parameters that may be of interest for thermal management applications.