Chemical Engineering Commons^™

Semi-Lagrangian Implicit Bhatnagar-Gross-Krook Collision Model For The Finite-Volume Discrete Boltzmann Method, Leitao Chen, Sauro Succi, Xiaofeng Cai, Laura Schaefer

Publications

In order to increase the accuracy of temporal solutions, reduce the computational cost of time marching, and improve the stability associated with collisions for the finite-volume discrete Boltzmann method, an advanced implicit Bhatnagar-Gross-Krook (BGK) collision model using a semi-Lagrangian approach is proposed in this paper. Unlike existing models, in which the implicit BGK collision is resolved either by a temporal extrapolation or by a variable transformation, the proposed model removes the implicitness by tracing the particle distribution functions (PDFs) back in time along their characteristic paths during the collision process. An interpolation scheme is needed to evaluate the PDFs at …

Designing Metal-Organic Frameworks For Natural Gas Storage And Delivery, Labeeb Mohammed Ali

Chemical and Petroleum Engineering Theses

Natural gas is major resource in UAE, constitute about 90% methane and as compared to other fossil fuels, it is more environmentally friendly. Energy demand from natural gas can be projected to exceed two hundred exajoules per year in 2040. In the UAE, many natural gas filling stations are already built for utilizing natural gas as a vehicle transportation fuel where these materials have potential applications to store and deliver this fuel. This research aims to study various kinds of Metal-Organic Frameworks, and to investigate adsorption properties for the storage of natural gas and its delivery. MOFs possess porous material …

Synthesis Of Eco-Friendly Nanofluids For Enhancement Of Heat Transfer And Application In Different Flow Configuration Passages, Khan Asif

Student Works (2020-2029)

Since the invention of the heat exchangers, the working fluids such as water, ethyl glycol, oil and many others were used, however, they reveal relatively low thermal conductivity. Eco-friendly nanofluids and the cost-effective annular heat exchangers were introduced in this research to overcome the problem. In the present work, heat transfer coefficient and friction loss analyses of (TiO2 and GNP) water-based nanofluids were compared with DI-water flowing in annular conduit under turbulent flow regime. The nanoparticle weight concentrations of 0.1, 0.075, 0.05 and 0.025 wt.% were prepared by using a simple two-step method. The DI-water simulations were conducted by using …

Study Of Heat And Momentum Transfer To Colloidal Suspensions In Annular Closed Conduit Flow, Sadik Shoaib

Student Works (2020-2029)

With the advancement of science and the rapid growth of industries and the improved lifestyles of people, energy consumption has been increasing. Whereas the exploration of energy remained at a slower pace and the energy reservoirs are extinguishing at a faster rate. High energy consumption is also encouraging environmental pollution and global warming. Considering all these issues, scientists and engineers are desperately exploring highly efficient heat exchangers for the conservation of energy and minimize its losses. The present research has focused on obtaining highly efficient heat exchangers. Lots of research have performed on the improvement of heat exchanger materials, alteration …

Effects Of New And Recycle Flux On The Mechanical Properties Of Submerged Arc Welded (Saw) Line Pipe Grade X52m And X65m, Taib Meor Mohd Adli

Student Works (2020-2029)

Two line pipe grade X52M and X65M were manufactured using submerged arc welding process. For each grade, two different welding flux condition were simulated, i.e. 100% new flux and 100% recycle flux. The flux used was aluminate basic type trade name OP 132. The outside diameter and wall thickness for X52M was 610mm x 12.7mm and for X65M was 762mm x 14.3mm. Lower weld re-entrant angle and higher weld bead height were observed in recycle flux condition. Lower weld manganese content recorded in recycle flux condition. And lower mechanical tests (i.e. tensile, impact, and hardness) value reported for recycle flux …

Catalytic Esterification Of Palm-Based Lauric Acid Diethylene Glycol Via Microwave Heating, Abas Noor Azeerah

Student Works (2020-2029)

Diethylene glycol esters of fatty acids are mixtures of diethylene glycol mono- and di-esters of saturated and unsaturated fatty acids derived from edible oils and fats. The products are produced either by direct esterification of diethylene glycol with fatty acids or by transesterification of diethylene glycol with oils or fats. This study involved in maximizing the conversion of lauric acid to glycol ester via esterification with diethylene glycol, aided by calcined Zn-Mg-Al catalyst in a 250-ml reactor using both conventional and microwave heating. Preliminary catalytic screening involving tin (II) oxalate, Amberlyst-15 and calcined Zn-Mg-Al catalysts in esterification of lauric acid …

Poly (Lactic Acid)/Nanoclay Nanocomposites For Packaging Applications, Maissa Akram Adi

Theses

With increasing stringent environmental regulations and attempts to reduce dependence on fossil fuels for polymer production, bio-based polymers are receiving appreciable global attention. In this context, bio-based poly (lactic acid) (PLA) is one of the most frequently used polymers in packaging applications. However, despite of its high versatility, this polymer is limited in packaging applications due to its low mechanical properties. The two-dimensional nanofillers such as nanoclay and graphene are well known for improving the thermo-mechanical properties of polymers at low concentrations. However, increasing higher filler concentration to improve barrier properties of polymers reduces their mechanical properties which is a …

Stress-State And Injection-Rate Dependent Damage Processes During The Hydraulic Fracturing Of Granite, Gayani Sasendrika Gunarathna

Dissertations

Hydraulic fracturing is a well-stimulation technique that is employed in field applications, such as enhanced geothermal systems (EGS) and shale oil/gas extraction. This research experimentally investigates the effect of the state of stress and injection rate on the hydraulic fracturing processes. In addition, a displacement discontinuity method (DDM) code, FROCK, is used to model the crack initiation and propagation in a granite specimen under hydraulic fracturing conditions. In order to conduct the experimental work, a test setup capable of applying a triaxial state of stress and water pressure inside pre-fabricated flaws cut in prismatic granite specimens is developed. Additionally, the …

Calculating Elastic Properties Of Confined Simple Fluids, Christopher D. Dobrzanski

Dissertations

Confinement in nanoporous materials is known to affect many properties of the fluids confined within their pores. The elastic properties are no exception. This dissertation begins with an overview of the relevant literature on ways of obtaining elastic properties of confined fluids. It outlines some fundamental gaps in our understanding. The chapters following address some of these gaps in understanding elastic properties of the confined fluid, in particular, how the shape of the confining pore matters, how supercriticality effects the properties, how an equation of state designed for confined fluids can be used to calculate elastic properties, and if an …

Particle Engineering Via Surface Modification: Model Based Analysis, Kai Zheng

Dissertations

Size reduction, an important step in particle engineering, leads to downstream processing problems because of fine powders are cohesive. This research aims to improve the fine particle properties through surface modification and develop better understanding of such processes by model-based analysis. Four case studies concerning surface modification are systematically investigated.

First, enhancement of dissolution behavior of griseofulvin is investigated via combination of amorphization and particle size reduction. The dissolution behavior is affected by the particle size and polymer loading. Finest size amorphous solid dispersions dissolve fast enough to negate the higher recrystallization rate and enhance drug loading by reducing the …

Toxicant Disruption Of Immune Defenses Potential Implications For Fetal Membranes And Pregnancy, Sean M. Harris, Erica Boldenow, Steven E. Domino, Rita Loch-Caruso

University Faculty Publications and Creative Works

In addition to providing a physical compartment for gestation, the fetal membranes (FM) are an active immunological barrier that provides defense against pathogenic microorganisms that ascend the gravid reproductive tract. Pathogenic infection of the gestational tissues (FM and placenta) is a leading known cause of preterm birth (PTB). Some environmental toxicants decrease the capacity for organisms to mount an immune defense against pathogens. For example, the immunosuppressive effects of the widespread environmental contaminant trichloroethylene (TCE) are documented for lung infection with Streptococcus zooepidemicus. Group B Streptococcus (GBS; Streptococcus agalactiae) is a bacterial pathogen that is frequently found in the female …

Liquid Structure And Transport Properties Of The Deep Eutectic Solvent Ethaline, Henry Squire, Burcu E. Gurkan

Faculty Scholarship

A range of techniques including physical property measurements, neutron scattering experiments, ab initio molecular dynamics, and classical molecular dynamics simulations are used to probe the structural, thermodynamic, and transport properties of a deep eutectic solvent comprised of a 1:2 molar ratio of choline chloride and ethylene glycol. This mixture, known as Ethaline, has many desirable properties for use in a range of applications, and therefore, understanding its liquid structure and transport properties is of interest. Simulation results are able to capture experimental densities, diffusivities, viscosities, and structure factors extremely well. The solvation environment is dynamic and dominated by different hydrogen …

Model Predictive Control And Estimation Of Managed Pressure Drilling Using A Real-Time High Fidelity Flow Model, Junho Park, Cameron Price, David Pixton, Manuel Aghito, Roar Nybø, Knut Bjørkevoll, John Hedengren

Faculty Publications

When drilling an oil or gas well, well pressures may be controlled using a technology called managed pressure drilling. This technology often relies on model predictive control schemes; however, practical limitations have generally led to the use of simplified controller models that do not optimally handle certain perturbations in the physical system. The present work reports on the first implementation of a highly accurate system model that has been adapted for real-time use in a controller. This real-time high-fidelity model approximates the results of offline high-fidelity models without requiring operation by model experts. The effectiveness of the model is demonstrated …

Engineering Dopant Position In Structure-Controlled Ceo2-Zro2 Catalysts, Behnam Safavinia

LSU Master's Theses

CeO₂-ZrO₂ (CZO) nanoparticles (NPs) have application in many catalytic reactions, such as methane reformation, due to their oxygen cycling ability. Ni doping has been shown to improve the catalytic activity and acts as an active site for the decomposition of methane. In this work, Ni:CZO NPs were synthesized via a two-step co-precipitation/molten salt synthesis to compare Ni distribution, oxygen vacancy concentration, and catalytic activity relative to a reference state-of-the-art catalyst. To better understand the effects of Ni position and dispersion, and oxygen vacancy formation in these materials, the Ni concentration, reaction time, and deposition methods were varied. …

Experimental Performance Evaluation Of A Hyper-Branched Polymer Electrolyte For Rechargeable Li-Air Batteries, Susanta K. Das, Joel Berry, Abhijit Sarkar

Mechanical Engineering Publications

A hyper-branched polymer (HBP) electrolyte is synthesized for rechargeable lithium-air (Li-air) battery cell and experimentally evaluated its performance in actual battery cell environment. Several real-world battery cells were fabricated with synthesized HBP electrolyte, pure lithium metal as anode and an oxygen permeable air cathode to evaluate reproducibility of the rechargeable Li-air battery cell. The effect of various conditions such as various HBP based electrolytes, discharge current −0.1~0.5 mA, cathode preparation processes and carbon contents on the battery cell performance were experimentally evaluated using the fabricated battery cells under dry air condition. Detailed HBP electrolyte synthesis procedures and experimental performance evaluation …

Evaluating And Developing A Reliable Reference Electrode For Choline Chloride Based Deep Eutectic Solvents, Xiaochen Shen, Jesse Wainright, Rohan Akolkar, Robert F. Savinell

Faculty Scholarship

The Ag/AgCl reference electrode is commonly used in choline chloride based deep eutectic solvents. However, we found it undergoes significant potential shifts in electrochemical tests which previous reports largely ignored. In this work, we studied the degradation mechanism leading to its instability. Results show that due to the high Cl− concentration in ethaline, the AgCl film easily dissolves and forms AgCl2 − species causing a potential shift. Therefore, we suggest a [Fe(CN)6]3−/[Fe(CN)6]4− reference electrode based on the reversibility and low diffusivity of [Fe(CN)6]3−/[Fe(CN)6]4− redox couple in ethaline, which was demonstrated to be reliable and stable over weeks of operation.

Investigating The Effects Of Accelerated Lithium Deposition On The Abuse Response Of Lithium-Ion Batteries, Eric J. Deichmann

Chemical and Biological Engineering ETDs

Li deposition at the graphitic anode is widely reported in literature as one of the leading causes of capacity fade in lithium-ion batteries (LIBs). Previous literature has also linked Li deposition resulting from low-temperature and high-rate ageing to diminished safety characteristics, however no current research has probed the effects of Li deposition on the abuse response of well- characterized cells. Additionally, no previous studies have investigated the use of an accelerated Li deposition technique for probing the effects of Li deposition. Using overtemperature testing, a relationship between increased concentrations of Li deposition and exacerbated abuse response in 1Ah pouch cells …

Assessing The Removal Of Heavy Metals Using Emerging And Intensifying Technology Of Emulsion Liquid Membrane With Ionic Liquid, Qusay Al-Obaidi, Jasmine Monroe, Hannah Smith, Zaid Haha, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

(Pb(II)) is one of the heavy metals compounds founds in the industrial wastes that needs to be removed from treated wastewater. Emulsion liquid membrane (ELM) has been introduced as an emerging technology for advanced wastewater and water treatment. This emerging technology of treatment can be intensified by strategically adding the hydrophobic ionic liquid of [OMIM][PF6] and ({[BMIM]⁺ [NTf2]^-) ionic liquid to organic membrane phase (O) to facilitate the industrial implementation of ELM with ionic liquid. The results show that with the use of 5% (V/V) [OMIM][PF6] ionic liquid has increased the removal efficiency to 70.37% in reaction …

Scalable Synthesis Of Nanostructured Metal Oxide Films Using Aerosol Chemical Vapor Deposition For Energy Storage Applications, Clayton Kacica

McKelvey School of Engineering Graduate Student Theses & Dissertations

As global energy consumption continues to rapidly increase, the need for new technologies to meet this demand in a sustainable way. Renewable sources such as solar and wind power are being increasingly utilized for electricity generation. However, the intermittent nature of these sources requires large-scale energy storage to reliably provide consistent power. Current grid-scale energy storage usually involves pumped hydroelectric systems, which are limited by location, or flywheel systems, which have limited use in high-power low-energy applications. Electrochemical storage solutions, such as lithium-ion batteries, provide robust energy storage that is not limited by location with a range of power and …

Ultrafine Particle-Particle And Particle-Ion Interactions In Aerosol Reactors, Girish Sharma

McKelvey School of Engineering Graduate Student Theses & Dissertations

Aerosol science and technology has enabled the material synthesis of ‘good’ nanoparticles, as well as, addressed the problem of air pollution by developing particle capture technologies for ‘bad’ nanoparticles. For material synthesis at industrial scale, flame aerosol reactors are extensively used for large-scale industrial production of ‘good’ nanoparticles. But, there exists a knowledge gap in understanding the early stages (1-10 nm) of particle formation and growth, which is necessary for tailoring the synthesized nanoparticles’ properties. To achieve this goal, measurement tools for the characterization of 1-10 nm particles are quintessential. On the other hand, to capture ‘bad’ particles, existing control …