Coupled Flow and Heat or Mass Transport

Existing strategies for hydrocarbon extraction have been designed primarily based on macroscopic properties of fluids and rocks. However, recent work on tight formations and source rocks (such as shale) revealed that the fluid properties and phase change of the hydrocarbons stored in the lower end of the pore size distribution inside the organic nanopores deviate significantly from their bulk phases in the large pores. The cause for such deviations is primarily the presence of strong fluid-wall molecular interactions in the nanopore. Organic nanopores, in source rock, store more hydrocarbons than those pores in a conventional reservoir for the same pore volume because nanopore confined hydrocarbons are more compacted and denser than the bulk phase. However, the recovery factor from these pores were reported to be considerately lower. Surfactants, introduced in the form of micelle or microemulsion, have the potential to increase the recovery. Whereas the transport behavior of micelles and their adsorption on solid walls are well-established, the role of microemulsion on the recovery of hydrocarbons under confinement remains poorly understood. In this work, molecular dynamics (MD) simulations were employed to investigate the two-phase flow in kerogen nanopores containing oil, water, and a microemulsion droplet. A slit-shaped pore was modeled representing the organic nanopore, and a mixture of hydrocarbon was chosen to represent the oil phase. Initially, the microemulsion droplets containing nonionic surfactant dodecylhepta(oxyethylene)ether (C₁₂E₇), swollen with solvent (d-limonene), were introduced to the water phase. We showed that the droplets were dispersed under the strong molecular interactions existing in the nanopore space. Subsequently, both the solvent and the surfactant components played essential roles in displacing the oil phase. The surfactant molecules were deposited at the interface between the aqueous phase and the oil, thereby reducing the interfacial tension. The solvent molecules, originally solubilized in a microemulsion droplet, penetrated the oil film near the pore walls. Those solvent molecules were exchanged with the adsorbed oil molecules and transformed that portion of oil into free oil for enhanced recovery. In addition, we considered the Couette flow of water near the organic wall with a film of oil, and found that the oil phase, which consisted of free and adsorbed molecules, could be mobilized by the viscous force caused by the flowing water. Hence, the chemicals introduced by the water mobilized both the free oil and a portion of adsorbed oil inside the oil-wet pores. However, there existed a slip at the oil/water interface which inhibited the momentum transfer from the water phase to the oil phase. When the surfactants were present at the interface, they acted as a linker that diminished the slip at the interface, hence, allowing the momentum transfer from the water phase to the oil phase more effectively. As a result, the fractional flow of oil increased due to the presence of both the surfactant and the solvent. At the final part, we extended our study from a single channel to three-dimensional (3D) kerogen pore network, where the pore sizes were less than or equal to 7 nm. The MD results showed that the dispersed microemulsion droplets also mobilized and displaced the oil present within the kerogen pore network. The results of this work are important for our understanding of flow and displacement under confinement and its application to oil recovery from source rocks. Full article

Bone grafts represent a multibillion-dollar industry, with over a million grafts occurring each year. Common graft types are associated with issues such as donor site morbidity in autologous grafts and immunological response in allogenic grafts. Bone-tissue-engineered constructs are a logical approach to combat the issues commonly encountered with these bone grafting techniques. When creating bone-tissue-engineered constructs, monitoring systems are required to determine construct characteristics, such as cellularity and cell type. This study aims to expand on the current predictive metrics for these characteristics, specifically analyzing the effects of media flow rate on oxygen uptake rates (OURs) of mesenchymal stem cells seeded on poly(L-lactic acid) (PLLA) scaffolds cultured in a flow perfusion bioreactor. To do this, oxygen consumption rates were measured for cell/scaffold constructs at varying flow rates ranging from 150 to 750 microliters per minute. Residence time analyses were performed for this bioreactor at these flow rates. Average observed oxygen uptake rates of stem cells in perfusion bioreactors were shown to increase with increased oxygen availability at higher flow rates. The residence time analysis helped identify potential pitfalls in current bioreactor designs, such as the presence of channeling. Furthermore, this analysis shows that oxygen uptake rates have a strong linear correlation with residence times of media in the bioreactor setup, where cells were seen to exhibit a maximum oxygen uptake rate of 3 picomoles O₂/hr/cell. Full article

In order to ensure stable power exhaust and to protect the walls of fusion reactors, liquid metals that are fed to the wall surface through a capillary porous system (CPS) are considered as alternative plasma-facing components (PFCs). However, operational issues like drop ejection and plasma contamination may arise. In this study, the unsteady flow of a liquid metal inside a single pore of the CPS in the presence of Lorentz forces is investigated. A numerical solution is performed via the finite element methodology coupled with elliptic mesh generation. A critical magnetic number is found (Bond_m = 4.5) below which the flow after a few oscillations reaches a steady state with mild rotational patterns. Above this threshold, the interface exhibits saturated oscillations. As the Lorentz force is further increased, Bond_m > 5.8, a Rayleigh–Taylor instability develops as the interface is accelerated under the influence of the increased magnetic pressure and a finite time singularity is captured. It is conjectured that eventually, drop ejection will take place that will disrupt cohesion of the interface and contaminate the surrounding medium. Finally, the dynamic response of different operating fluids is investigated, e.g., gallium, and the stabilizing effect of increased electrical conductivity and surface tension is demonstrated. Full article

A Eulerian—Lagrangian model has been developed to simulate particle attachment to surfaces with arc-shaped ribs in a two-dimensional channel flow at low Reynolds numbers. Numerical simulation has been performed to improve the quantitative understanding of how rib geometries enhance shear rates and particle-surface interact for various particle sizes and flow velocities. The enhanced shear rate is attributed to the wavy flows that develop over the ribbed surface and the weak vortices that form between adjacent ribs. Varying pitch-to-height ratio can alter the amplitude of the wavy flow and the angle of attack of the fluid on the ribs. In the presence of these two competing factors, the rib geometry with a pitch-to-height ratio of two demonstrates the greatest shear rate and the lowest fraction of particle attachment. However, the ribbed surfaces have negligible effects on small particles at low velocities. A force analysis identifies a threshold shear rate to reduce particle attachment. The simulated particle distributions over the ribbed surfaces are highly non-uniform for larger particles at higher velocities. The understanding of the effect of surface topography on particle attachment will benefit the design of surface textures for mitigating particulate fouling in a wide range of applications. Full article

The present study used a sparged bubble column to study the mixing of a passive scalar under bubble-induced diffusion. The effect of gas superficial velocity (up to 69 mm/s) and external vertical vibrations (amplitudes up to 10 mm, frequency <23 Hz) on the mixing time scale were investigated. The bubble-induced mixing was characterized by tracking the distribution of a passive scalar within a sparged swarm of bubbles. Void fraction and bubble size distribution were also measured at each test condition. Without vibrations (static), the bubble column operated in the homogenous regime and the mixing time scale was insensitive to void fraction, which is consistent with the literature. In addition, the temporal evolution of the static column mixing was well approximated as an error function. With vertical vibrations at lower amplitudes tested, the bubble-induced mixing was restrained due to the suppression of the liquid velocity agitations in the bubble swarm wake, which decelerates mixing. Conversely, at higher amplitudes tested, vibration enhanced the bubble-induced mixing; this is attributed to bubble clustering and aggregation that produced void fraction gradients, which, in turn, induced a mean flow and accelerated the mixing. The vibration frequency for the range studied in the present work did not produce a significant effect on the mixing time. Analysis of the temporal evolution of the concentration of the passive scalar at a fixed point within the column revealed significant fluctuations with vibration. A dimensionally reasoned correlation is presented that scales the non-dimensional mixing time with the transient buoyancy number. Full article

Direct modeling of time-dependent transport and reactions in realistic heterogeneous systems, in a manner that considers the evolution of the quantities of interest in both, the macro-scale (suspending fluid) and the micro-scale (suspended particles), is currently well beyond the capabilities of modern supercomputing. This is understandable, since even a simple system such as this can easily contain over 10⁷ particles, whose length and time scales differ from those of the macro-scale by several orders of magnitude. While much can be gained by applying direct numerical solution to representative model systems, the direct approach is impractical when the performance of large, realistic systems is to be modeled. In this study we derive and analyze a “hybrid” model that is suitable for fibrous reactors. The model considers convection/diffusion in the bulk liquid, as well as intra-fiber diffusion and reaction. The essence of our approach is that diffusion and (first-order) reaction in the intra-fiber space are handled semi-analytically, based on well-established theory. As a result, the problem of intra-fiber transport and reaction is reduced to an easily solvable set of $n_0$ ODEs, where $n_0$ is the number of terms in the Bessel expansion evaluated without recourse to approximation; this set is coupled, point-wise, with a numerical model of the macro-scale. When the latter is discretized using N nodes, the total “hybrid” model for the system consists of a system of $N\left(2+n_0\right)$ ODEs, which is easily solvable on a modest workstation. Parametric analyses are presented and discussed. Full article

A class of closed-form exact solutions for the Navier–Stokes equation written in the Boussinesq approximation is discussed. Solutions describe the motion of a non-homogeneous reacting fluid subjected to harmonic vibrations of low or finite frequency. Inhomogeneity of the medium arises due to the transversal density gradient which appears as a result of the exothermicity and chemical transformations due to a reaction. Ultimately, the physical mechanism of fluid motion is the unequal effect of a variable inertial field on laminar sublayers of different densities. We derive the solutions for several problems for thermo- and chemovibrational convections including the viscous flow of heat-generating fluid either in a plain layer or in a closed pipe and the viscous flow of fluid reacting according to a first-order chemical scheme under harmonic vibrations. Closed-form analytical expressions for fluid velocity, pressure, temperature, and reagent concentration are derived for each case. A general procedure to derive the exact solution is discussed. Full article

Exercising in a tropical climate with constant high temperatures and high humidity increases the risk of heatstroke for active people who frequently train outdoors. For these active persons, a cooling source of water nearby can be essential, and this is usually carried in canteen bottles. However, commercially available water canteen bottles have limited thermal insulation capability to keep the liquid content cooled for the required period. This work proposed an engineering solution to enhance the heat insulation performance of water canteen bottles, using recycled cellulose aerogels made from paper waste for the first time as an insulating layer. Recycled cellulose aerogels wrapped around the water canteen bottle provides excellent thermal insulation performance, while not adding significant weight to the bottle. The temperature of the ice slurry in the canteen bottle was measured periodically over four hours with a mercury thermometer. The effects of the static and dynamic conditions on the temperature rate were also quantified. A 1.5 cm thickness of 1.0 wt.% recycled cellulose aerogel wrapped around the canteen bottle can provide an excellent thermal insulation performance with the lowest rise in temperature, achieving a low final temperature of the ice slurry content of 3.5 °C after 4 h. This result is much better than that provided by available commercial bottles under the same conditions. Full article

This study puts emphasis on reducing the temperature error of dissipative particle dynamics (DPD) fluid by directly applying a minimal-stage third-order partitioned Runge-Kutta (PRK3) method to the time integration, which does not include any of additional governing equations and change in the DPD thermostat formulation. The error is estimated based on the average values of both kinetic and configurational temperatures. The result shows that the errors in both temperatures errors are greatly reduced by using the PRK3 scheme as comparing them to those of previous studies. Additionally, the comparison among three different PRK3 schemes demonstrates our recent findings that the symplecticity conservation of the system is important to reduce the temperature error of DPD fluid especially for large time increments. The computational efficiencies are also estimated for the PRK3 scheme as well as the existing ones. It was found from the estimation that the simulation using the PRK3 scheme is more than twice as efficient as those using the existing ones. Finally, the roles of both kinetic and configurational temperatures as error indicators are discussed by comparing them to the velocity autocorrelation function and the radial distribution function. It was found that the errors of these temperatures involve different characteristics, and thus both temperatures should be taken into account to comprehensively evaluate the numerical error of DPD. Full article

Liquid microjet impingement cooling has shown the potential to be the solution for heat removal from electronic devices such as very-large-scale integration (VLSI) chips. The post-impingement dynamics of the jet, specifically the interaction between the liquid fronts on the surface engendered by the jets is a critical criterion improving the heat transfer characteristics. While some seminally important experimental studies have investigated this attribute, the amount of accurate data and analysis is limited by the shortcomings of real-life experiments. In this article, numerical investigations into the fluid dynamics and heat transfer in microjet cooling systems are carried out. Specifically, this paper addresses the question regarding the necessary fidelity of the simulations. Different Reynolds-averaged Navier–Stokes (RANS) models are compared to the Large Eddy Simulations (LES) simulation and the potential fidelity of different eddy-viscosity-based closures is clearly shown. Recommendations are made regarding the RANS closures that should give the best performance. It is demonstrated that the transition Shear Stress Transport (SST) model and $k$ - $\omega$ SST model both show excellent ability to predict the local or average Nu, and also local level pressure coefficient $f$ with less than 5% difference in the range of 30 < Re_d < 4000, compared with the reference LES model. For the experimental measurements in the range of 130 < Re_d < 1400, the LES model, transition SST model and $k$ - $\omega$ SST model all show less than 25% prediction error. Moreover, it is shown that the validity of the unit cell assumption for the temperature and flow distribution depends on the flow rate. Full article

A performance simulator of spiral wound membrane (SWM) modules used for desalination is a valuable tool for process design and optimization. The existing state-of-the-art mesoscale simulation tools account for the spatial non-uniformities created by the operation itself (flow, pressure, and concentration distributions) but they assume uniform membrane properties. However, experimental studies reveal that membrane properties are by no means uniform. Therefore, the need arises to account for this non-uniformity in simulation tools thus enabling a systematic assessment of its impact, among other benefits; a first step toward this goal is presented herein. In particular, the issue of an organic fouling layer growing on a membrane with non-uniform permeability is analyzed. Several mathematical treatments of the problem are discussed and indicative results are presented. The concept of fouling layer thickness probability density function is suggested as a means to introduce sub-grid level calculations in existing simulation tools. The analysis leads to the selection of an appropriate methodology to incorporate this effect in the dynamic simulation of fouling layer evolution at the membrane-sheet scale. Full article

The vacuum airlift column process was patented in 2007 and is under development. The experimental study of its hydrodynamics is one of the axes explored to optimize its design and operation. The object of the study presented in this paper is to determine the functions of phase indicator (gas holdup, superficial gas velocity and bubble size) of the gas–liquid flow. The experimental analysis is carried out using a two-phase instrumentation consisting of an optical fiber bi-probe. The use of experimental techniques has made it possible to better understand the hydrodynamics of a two-phase flow. The optical bi-probe placed between two column flanges made it possible to have a complete mapping of the flow of the dispersed phase. The use of a mass flow meter and an ultrasonic flowmeter, in different flow configurations, provided data on the column operation. Full article

A two-phase bubbly flow is often found in the process industry. For the efficient operation of such devices, it is important to know the details of the flow. The paper presents a numerical simulation of the rising bubble in a stagnant liquid column. The interFOAM solver from the open source Computational Fluid Dynamics (CFD) toolbox OpenFOAM was used to obtain the necessary data. The constant and dynamic computational grids were used in the numerical simulation. The results of the calculation were compared with the measured values. As expected, by using the dynamic mesh, the bubble trajectory was closer to the experimental results due to the more detailed description of the gas–liquid interface. Full article

Despite its small size, the brain consumes 25% of the body’s energy, generating its own weight in potentially toxic proteins and biological debris each year. The brain is also the only organ lacking lymph vessels to assist in removal of interstitial waste. Over the past 50 years, a picture has been developing of the brain’s unique waste removal system. Experimental observations show cerebrospinal fluid, which surrounds the brain, enters the brain along discrete pathways, crosses a barrier into the spaces between brain cells, and flushes the tissue, carrying wastes to routes exiting the brain. Dysfunction of this cerebral waste clearance system has been demonstrated in Alzheimer’s disease, traumatic brain injury, diabetes, and stroke. The activity of the system is observed to increase during sleep. In addition to waste clearance, this circuit of flow may also deliver nutrients and neurotransmitters. Here, we review the relevant literature with a focus on transport processes, especially the potential role of diffusion and advective flows. Full article

Superspreading is the rapid and complete spreading of surfactant-laden droplets on hydrophobic substrates. This phenomenon has been studied for many decades by experiment, theory, and simulation, but it has been only recently that molecular-level simulation has provided significant insights into the underlying mechanisms of superspreading thanks to the development of accurate force-fields and the increase of computational capabilities. Here, we review the main advances in this area that have surfaced from Molecular Dynamics simulation of all-atom and coarse-grained models highlighting and contrasting the main results and discussing various elements of the proposed mechanisms for superspreading. We anticipate that this review will stimulate further research on the interpretation of experimental results and the design of surfactants for applications requiring efficient spreading, such as coating technology. Full article