scholarly journals Supercritical CO2-Assisted Atomization for Deposition of Cellulose Nanocrystals: An Experimental and Computational Study

2021 ◽  
Author(s):  
Shadi Shariatnia ◽  
Prajesh Jangale ◽  
Rohit Mishra ◽  
Amir Asadi ◽  
Dorrin Jarrahbashi
Keyword(s):  
Process Parameters ◽  
Large Scale ◽  
Computational Study ◽  
Spray Deposition ◽  
Hydroxyl Groups ◽  
Axial Distance ◽  
Spray Parameters ◽  
Water Droplets ◽  
Operational Conditions ◽  
Micron Size

Abstract Nanoparticle spray deposition finds numerous applications in pharmaceutical, electronics, manufacturing, and energy industries and has shown great promises in engineering the functional properties of the coated parts. However, current spray deposition systems either lack the required precision in controlling the morphology of the deposited nanostructures or do not have the capacity for large-scale deposition applications. In this study, we introduce a novel spray system that uses supercritical CO2 to assist the atomization process and create uniform micron-size water droplets that are used as cellulose nanocrystal (CNC) carriers. CNCs are selected in this study as they are abundant, possess superior mechanical properties, and contain hydroxyl groups that facilitate interaction with neighboring materials. We fundamentally investigate the effect of different process parameters, such as injection pressure, gas-to-liquid ratio, the axial distance between the nozzle and substrate, and CNC concentration on the final patterns left on the substrate upon evaporation of water droplets. To this end, we show how tuning process parameters control the size of carrier droplets, dynamics of evaporation, and self-assembly of CNCs, which in turn dictate the final architecture of the deposited nanostructures. We will particularly investigate the morphology of the nanostructures deposited after evaporation of micron-size droplets that has not been fully disclosed to date. Different characterization techniques such as laser diffraction, polarized microscopy, and high-resolution profilometry are employed to visualize and quantify the effect of each process parameter. Numerical simulations are employed to inform the design of experiments. Finally, it is shown that the fabricated nanostructures can be engineered based on the size of the carrier droplets controlled by adjusting spray parameters and the concentration of nanoparticles in the injected mixture. Process parameters can be selected such that nanoparticles form a ring, disk, or dome-shaped structure. Moderate operational conditions, simplicity and time efficiency of the process, and use of abundant and biodegradable materials, i.e., water, CNC, and CO2 promote the scalability and sustainability of this method.

Computational Simulation of the Impact and Freezing of Micron-Size Water Droplets on Super-Hydrophobic Surfaces

2013 ◽  
Author(s):  
Mehdi Raessi ◽  
Miranda Thiele ◽  
Behrooz Amirzadeh
Keyword(s):  
Surface Temperature ◽  
Freezing Point ◽  
Computational Study ◽  
Computational Simulation ◽  
Contact Angles ◽  
Water Droplets ◽  
Hydrophobic Surfaces ◽  
Droplet Spreading ◽  
Micron Size ◽  
The Impact

We present a computational study on the dynamics and freezing of micron-size water droplets impinging onto super-hydrophobic surfaces, the temperatures of which are below the freezing point of water. Icing poses a great challenge for many industries. It is well known that increasing hydrophobicity can make a surface ice-phobic. Experiments show that millimeter size water drops landing on super-hydrophobic surfaces bounce off even when the surface temperature is well below the freezing point. However, it has been reported that the ice-phobicity feature of such surfaces can vanish due to frost formation on the surface, or when small micro-droplets begin to freeze and stick to the surface. Using an in-house, 3D, GPU-accelerated computational tool, we investigated the impact dynamics and freezing of a 40 μm water droplet impinging at 1.4 m/s onto two different super-hydrophobic surfaces chosen from [1]. The advancing and receding contact angles are 165° and 133°, respectively, on one surface, and 157° and 118°, respectively, on the other. The surface and initial droplet temperatures were varied from −25 to 25°C and from 0 to 25°C, respectively. On each surface a “transition” surface temperature was found, at which the drop behavior transitions from bouncing off the surface to sticking. The time between drop landing and bounce-off as well as the contact diameter between the stuck drop and the surface both increase with decreasing the surface temperature. The simulations also show that at some surface temperatures a thin ice layer forms during droplet spreading and then remelts as the droplet recoils.

Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining

2019 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Mojtaba Haghighatlari ◽  
Sai Prasad Ganesh ◽  
Chong Cheng ◽  
Johannes Hachmann
Keyword(s):  
Data Mining ◽  
Refractive Index ◽  
High Throughput ◽  
First Principles ◽  
High Throughput Screening ◽  
Large Scale ◽  
Computational Study ◽  
High Refractive Index ◽  
Structural Features ◽  
Learning Program

<div>We present a high-throughput computational study to identify novel polyimides (PIs) with exceptional refractive index (RI) values for use as optic or optoelectronic materials. Our study utilizes an RI prediction protocol based on a combination of first-principles and data modeling developed in previous work, which we employ on a large-scale PI candidate library generated with the ChemLG code. We deploy the virtual screening software ChemHTPS to automate the assessment of this extensive pool of PI structures in order to determine the performance potential of each candidate. This rapid and efficient approach yields a number of highly promising leads compounds. Using the data mining and machine learning program package ChemML, we analyze the top candidates with respect to prevalent structural features and feature combinations that distinguish them from less promising ones. In particular, we explore the utility of various strategies that introduce highly polarizable moieties into the PI backbone to increase its RI yield. The derived insights provide a foundation for rational and targeted design that goes beyond traditional trial-and-error searches.</div>

scholarly journals A Survey on Edge Performance Benchmarking

2021 ◽  
Vol 54 (3) ◽  
pp. 1-33
Author(s):  
Blesson Varghese ◽  
Nan Wang ◽  
David Bermbach ◽  
Cheol-Ho Hong ◽  
Eyal De Lara ◽  
...  
Keyword(s):  
Large Scale ◽  
Future Internet ◽  
Coupled Systems ◽  
Operational Conditions ◽  
Loosely Coupled ◽  
Performance Benchmarking ◽  
The Past ◽  
Geographically Dispersed ◽  
Tightly Coupled ◽  
History Of

Edge computing is the next Internet frontier that will leverage computing resources located near users, sensors, and data stores to provide more responsive services. Therefore, it is envisioned that a large-scale, geographically dispersed, and resource-rich distributed system will emerge and play a key role in the future Internet. However, given the loosely coupled nature of such complex systems, their operational conditions are expected to change significantly over time. In this context, the performance characteristics of such systems will need to be captured rapidly, which is referred to as performance benchmarking, for application deployment, resource orchestration, and adaptive decision-making. Edge performance benchmarking is a nascent research avenue that has started gaining momentum over the past five years. This article first reviews articles published over the past three decades to trace the history of performance benchmarking from tightly coupled to loosely coupled systems. It then systematically classifies previous research to identify the system under test, techniques analyzed, and benchmark runtime in edge performance benchmarking.

scholarly journals Numerical Simulation of EPB Shield Tunnelling with TBM Operational Condition Control Using Coupled DEM–FDM

2021 ◽  
Vol 11 (6) ◽  
pp. 2551
Author(s):  
Hyobum Lee ◽  
Hangseok Choi ◽  
Soon-Wook Choi ◽  
Soo-Ho Chang ◽  
Tae-Ho Kang ◽  
...  
Keyword(s):  
Numerical Simulation ◽  
Large Scale ◽  
Tunnel Boring Machine ◽  
Chamber Pressure ◽  
Screw Conveyor ◽  
Shield Tunnel ◽  
Pressure Balance ◽  
Operational Conditions ◽  
Shield Tunnelling ◽  
Epb Shield

This study demonstrates a three-dimensional numerical simulation of earth pressure balance (EPB) shield tunnelling using a coupled discrete element method (DEM) and a finite difference method (FDM). The analysis adopted the actual size of a spoke-type EPB shield tunnel boring machine (TBM) consisting of a cutter head with cutting tools, working chamber, screw conveyor, and shield. For the coupled model to reproduce the in situ ground condition, the ground formation was generated partially using the DEM (for the limited domain influenced by excavation), with the rest of the domain being composed of FDM grids. In the DEM domain, contact parameters of particles were calibrated via a series of large-scale triaxial test analyses. The model simulated tunnelling as the TBM operational conditions were controlled. The penetration rate and the rotational speed of the screw conveyor were automatically adjusted as the TBM advanced to prevent the generation of excessive or insufficient torque, thrust force, or chamber pressure. Accordingly, these parameters were maintained consistently around their set operational ranges during excavation. The simulation results show that the proposed numerical model based on DEM–FDM coupling could reasonably simulate EPB driving while considering the TBM operational conditions.

Influence of Process Parameters and Geometry of the Spraying Nozzle on the Properties of Titanium Deposits Obtained in Wire Arc Spraying

2015 ◽  
Vol 1111 ◽  
pp. 211-216
Author(s):  
Bogdan Florin Toma ◽  
Iulian Ionita ◽  
Diana Antonia Gheorghiu ◽  
Lucian Eva ◽  
Costică Bejinariu ◽  
...  
Keyword(s):  
Fluid Dynamics ◽  
Process Parameters ◽  
High Speed ◽  
Electrical Current ◽  
Electric Arc ◽  
Arc Spraying ◽  
Oxide Content ◽  
Spray Parameters ◽  
Influence Of Process Parameters ◽  
Wire Arc Spraying

Influence of the process parameters and geometry of the spraying nozzle on the properties of titanium deposits obtained in wire arc spraying. Wire arc spraying is a process in which through minor modifications of the spray parameters, they can have a major impact on the coatings properties. In this paper there is presented a study on the influence of process parameters and fluid dynamics of the atomization gas on the properties of titanium deposits (14T - 99.9% Ti). For this there were used three different frontal spraying nozzles, having different geometries, and were varied the spraying gas pressure and the electrical current on three levels. There were evaluated the particles velocity, coating density, chemical composition and characteristic interface between deposition and substrate. Obviously, the high speed of the atomization gas determinate the improving of all properties, but in the same time increased the oxide content in the layer. However, the oxidation can be drastically reduced if the melting and atomization of the wire droplets is produced at the point of formation of the electric arc, and the spraying jet is designed to constrain the electric arc. The assessment of deposits adherence allowed the observation of process parameters that contribute to its improvement.

Surveillance Models of Large-Scale ESP With High Viscosity Fluids and Gas

2012 ◽  
Author(s):  
Lissett Barrios ◽  
Stuart Scott ◽  
Charles Deuel
Keyword(s):  
Large Scale ◽  
Two Phase Flow ◽  
Electrical Current ◽  
High Viscosity ◽  
Viscous Fluids ◽  
Phase Flow ◽  
Centrifugal Pumps ◽  
Operational Parameters ◽  
Two Phase ◽  
Operational Conditions

The paper reports on developmental research on the effects of viscosity and two phases, liquid–gas fluids on ESPs which are multi stage centrifugal pumps for deep bore holes. Multiphase viscous performance in a full-scale Electrical Submersible Pump (ESP) system at Shell’s Gasmer facility has been studied experimentally and theoretically. The main objectives is to predict the operational conditions that cause degradations for high viscosity fluids when operating in high Gas Liquid Radio (GLR) wells to support operation in Shell major Projects. The system studied was a 1025 series tandem WJE 1000. The test was performed using this configuration with ten or more pump stages moving fluids with viscosity from 2 to 200 cP at various speed, intake pressure and Gas Void Fractions (GVF). For safety considerations the injected gas was restricted to nitrogen or air. The ESP system is a central artificial lift method commonly used for medium to high flow rate wells. Multiphase flow and viscous fluids causes problems in pump applications. Viscous fluids and free gas inside an ESP can cause head degradation and gas locking. Substantial attempts have been made to model centrifugal pump performance under gas-liquid viscous applications, however due to the complexity this is still a uncertain problem. The determination of the two-phase flow performance in these harmful conditions in the ESP is fundamental aspects in the surveillance operation. The testing at Shell’s Gasmer facility revealed that the ESP system performed as theoretical over the range of single flowrates and light viscosity oils up to Gas Volume Fractions (GVF) around 25%. The developed correlations predict GVF at the pump intake based on the operational parameters. ESP performance degrades at viscosity higher than 100cp as compared to light oil applications, gas lock condition is observed at gas fraction higher than 45%. Pump flowrate can be obtained from electrical current and boost for all range of GVF and speed. The main technical contributions are the analysis of pump head degradation under two important variables, high viscosity and two-phase flow inside the ESP.

scholarly journals A large-scale computational study of inhibitor risk in non-severe haemophilia A

2014 ◽  
Vol 168 (3) ◽  
pp. 413-420 ◽  
Author(s):  
Adrian J. Shepherd ◽  
Stuart Skelton ◽  
Clare E. Sansom ◽  
Keith Gomez ◽  
David S. Moss ◽  
...  
Keyword(s):  
Large Scale ◽  
Computational Study ◽  
Haemophilia A ◽  
Severe Haemophilia

scholarly journals Operational modifications for the development of nitrifying bacteria in a large-scale biological aerated filter and its impact on wastewater treatment

2018 ◽  
Vol 78 (8) ◽  
pp. 1704-1714 ◽  
Author(s):  
François-René Bourgeois ◽  
Frédéric Monette ◽  
Daniel G. Cyr
Keyword(s):  
Large Scale ◽  
Oxygen Demand ◽  
Bacterial Biofilm ◽  
Nitrifying Bacteria ◽  
Nitrification Rate ◽  
Total Biomass ◽  
Ammonia Oxidizing Bacteria ◽  
Operational Conditions ◽  
Nitrite Oxidizing Bacteria ◽  
Aerated Filter

Abstract To develop a better understanding for fixed biomass processes, the development of a nitrifying bacterial biofilm, as well as the performance of treatment during modifications to operational conditions of a full-scale submerged biological filter were examined. The development of the nitrifying biofilm was investigated at four depth levels (1, 2, 4 and 5 feet). The result of bacterial subpopulations analyzed by qPCR relative to the physico-chemical parameters of the wastewater during the various tests (sustained aeration, modified backwash parameters and inflow restriction) revealed an increase of the relative presence of nitrifying microorganisms throughout the biofilm (especially for nitrite oxidizing bacteria (NOB)), but this was not necessarily accompanied by a better nitrification rate. The highest observed nitrification rate was 49% of removal in the test cell during backwashing conditions, whereas the relative ammonia oxidizing bacteria (AOB) population was 0.032% and NOB was 0.008% of the total biomass collected. The highest percentage of nitrifying bacteria observed (0.034% AOB and 0.18% NOB) resulted in a nitrification rate of 21%. The treatment of organic matter determined by measuring the chemical and biochemical oxygen demand (COD, CBOD5) was improved.

Analysis of a Large-Scale Cooling System Fan Gearbox Loads

2017 ◽  
Author(s):  
Charles H. O. Lombard ◽  
Daniel N. J. Els ◽  
Jacques Muiyser ◽  
Albert Zapke
Keyword(s):  
Large Scale ◽  
Cooling System ◽  
Axial Flow ◽  
Output Shaft ◽  
Blade Loading ◽  
Operational Conditions ◽  
Power Stations ◽  
Reverse Loading ◽  
Air Cooled Condensers ◽  
Input Side

South Africa’s coal-fired power stations use super heated steam to drive generator turbines. In arid regions, air-cooled condensers (ACCs) are used to condense the process steam. These ACCs consists of an array of over 200 axial flow fans, each driven by a motor via a reduction gearbox. Distorted fan inlet air flow conditions cause transient blade loading, which results in variations in output shaft bending and torque. A measurement project was conducted where the input and output shaft of such a gearbox were instrumented with strain gauges and wireless bridge amplifiers. Gearbox shaft speed and vibration were also measured. Torsional and bending strains were measured for a variety of operational conditions, where correlations were seen between gearbox loading and wind conditions. The input side experienced no unexpected loads from the motor or changing wind conditions, whereas output shaft loading was influenced by the latter. Digital filters were applied to identify specific bending components, such as the influence of fan hub misalignment and dynamic blade loading. Reverse loading of the gearbox was measured during the fan stop period, and vibration analysis revealed torsional and gearbox vibrations. This investigation documented reliable full scale ACC gearbox loads.

Gas Source Silicon Molecular Beam Epitaxy

1991 ◽  
Vol 220 ◽  
Author(s):  
H. Hirayama ◽  
M. Hiroi ◽  
K. Koyama ◽  
T. Tatsumi ◽  
M. Sato
Keyword(s):  
High Speed ◽  
Large Scale ◽  
Molecular Beam ◽  
Hydrogen Desorption ◽  
Dissociative Adsorption ◽  
Molecular Beam Epitaxial ◽  
Gas Source ◽  
Surface Migration ◽  
Micron Size ◽  
Silicon Hydrides

ABSTRACTGas source silicon molecular beam epitaxial (Si-MBE) growth is microscopically governed by a disociative adsorption of silicon hydrides, such as Si2H6 source gas molecules on Si surface. The dissociative adsorption generates SiH species on the surface. From this hydride phase, hydrogen desorbs thermaly. The temperature dependence of the growth rate indicated that the hydrogen desorption from the SiH is the rate limiting step. In HBO2 Knudsen cell doping, B adsorbates block the surface migration. Such a blocking effect can be avoided by B2H6 gas dopant, because of the similar incorpration mechanism of B2H6 to that of Si2H6. However, in PH3 gas doping, a crystal quality degradation was observed at a high doping range due to the preferentially high sticking coefficient of PH3 and the resulting surface dangling bond termination. The selective epitaxial growth of a B doped layer using Si2H6 and B2H6 was applied to a novel structured base fabrication for super self-aligned selectively grown base transistor (SSSBT). A successful achievement of the SSSBT fabrication indicates the high potentiality of gas source Si-MBE to the sub-micron size ultra-high speed bipolar large scale integrated (LSI) circuits.

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