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 …

Flow Of Carbon Dioxide In Micro And Nano Pores And Its Interaction With Crude Oil To Induce Asphaltene Instability, Sherif Fakher, Abdulmohsin Imqam

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

This study presents an investigation of the flow mechanism of carbon dioxide (CO₂) through nano and micro pores and the impact of this flow on oil mobilization and asphaltene instability in the crude oil. The flow mechanism of CO₂ is determined using numerical modeling through the Knudsen number to determine the flow regimes under different thermodynamic conditions. Following this, the oil production and asphaltene stability are studied using a filtration vessel supplemented with nano and micron sized filter membranes. The effect of varying CO₂ injection pressure, oil viscosity, porous media pore size, and porous media thickness …

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 …

An Experimental Investigation Of Asphaltene Stability In Heavy Crude Oil During Carbon Dioxide Injection, Sherif Fakher, Mohamed Ahdaya, Mukhtar Elturki, Abdulmohsin Imqam

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Carbon dioxide (CO₂) injection is one of the most applied enhanced oil recovery methods in the hydrocarbon industry, since it has the potential to increase oil recovery significantly and can help reduce greenhouse gases through carbon storage in hydrocarbon reservoirs. Carbon dioxide injection has a severe drawback, however, since it induces asphaltene precipitation by disrupting the asphaltene stability in crude oil that bears even the slightest asphaltene concentration. This can result in severe operational problems, such as reservoir pore plugging and wellbore plugging. This research investigates some of the main factors that impact asphaltene stability in crude oil …

Nature-Inspired Electrode Materials For Next Generation Sustainable Energy Storage, Mikhail Miroshnikov

Dissertations, Theses, and Capstone Projects

Despite revolutionizing the world of portable electronics, the contemporary lithium-ion battery (LIB) suffers from challenges associated with the cost, safety, and environmental impact of transition metal oxide-based intercalation cathodes. To alleviate these issues, naturally occurring organic molecules may serve as sustainable alternatives to traditional inorganic cathode materials. The electrochemical properties of organic compounds are derived from redox-active functional groups containing oxygen, nitrogen and sulfur. Additionally, these functional groups are capable of coordinating metal ions beyond lithium, allowing for compatibility with sodium-ion batteries (SIBs) and other earth abundant metal-based energy storage systems. However, despite competitive performance against commercialized cathode materials, much …

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 …

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 …

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 …

Chemistry Of Nanoscale Solids And Organic Matter In Sustainable Water Management Systems, Xuanhao Wu

McKelvey School of Engineering Graduate Student Theses & Dissertations

To alleviate global water scarcity and improve public health, engineered water treatment and management systems have been developed for purifying contaminated water and desalinating brackish or ocean water. These engineered systems provide substantial amounts of potable water and lessen environmental concerns about the release of contaminated water. Wastewater treatment plants (WWTPs), water desalination plants (WDPs), and managed aquifer recharge systems (MARs) are three representative sustainable water management (SWM) systems. But the operation of all three poses two fundamental questions: (1) What is the fate of nanoscale solids (e.g., engineered nanomaterials, naturally occurring nanoparticles) in SWM systems and how will their …

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 …

Engineering Ionomer Materials For Addressing Ohmic Resistances In Electrochemical Desalination And Waste Heat Recovery, Varada Menon Palakkal

LSU Doctoral Dissertations

Water scarcity and energy availability present important challenges that need to be addressed in the coming centuries. In the front of water technologies, desalting brackish water is of extreme importance for thermal electric power plants, chemical manufacturing plants, and other industrial operations that treat and reuse their water utilities. Membrane capacitive deionization (MCDI) is an energy efficient desalination technique that has drawn attention from commercial entities. Most material research studies on MCDI focus on enhancing electrode performance while little emphasis is given to rationale design of ion-exchange membranes (IEMs). In this work, the ionic conductivity, permselectivity, and thickness for three …

Kinetic Insights Into The Lignocellulosic Biomass-Based Levulinic Acid Production By A Mechanistic Model, Emília Savioli Lopes, Elmer Ccopa Rivera, Julio César De Jesus Gariboti, Luis Henrique Zimmermann Feistel, João Vitor Dutra, Rubens Maciel Filho, Laura Plazas Tovar

Faculty Publications

© 2020, Springer Nature B.V. Abstract: In this work, a mechanistic model was developed to simulate the kinetics of the production of levulinic acid (LA) from sugarcane bagasse (SCB), rice husk (RH) and soybean straw (SS). The production of LA from those agro-industrial wastes followed the methodology of biorefining in three stages. Experimental data from the third stage (catalytic depolymerization of cellulose) obtained under a wide range of operating conditions were used to estimate the parameters of the model. An optimization procedure based on a genetic algorithm was used to determine the optimal parameter values. The prediction of the concentrations …

Comparative Analysis Of Simulation Models Of The Production Of Ethylbenzene, Osariemen Imafidon

Honors Theses

Process Engineering is all about making sure a raw material can become the desired product with as little variation as possible, while achieving the customer's specifications. Many equipment used for chemical processes cannot be physically inspected during operation at steady state, hence, the need for simulation software. The objective of this study was to compare the results of three different simulation packages to evaluate their efficacy within process design.

This study focused on the economic analysis of the production of Ethylbenzene using various models. The base case variables were inputted into each model to simulate the calculations for a fully …

The Artificial Leaf: An Investigation Into The Sociotechnical Integration Of New Solar Energy Innovations, Alexandra K. Treml, Jamie M. Mears

Senior Honors Projects, 2020-current

Increasing global demand, combined with the volatility of fossil fuels, has called for a large-scale increase in renewable energy production. Photovoltaics hold significant potential, but by nature, solar energy is intermittent and lacks dispatchability. Researchers around the world are working to create innovative solutions that utilize semiconductors found in solar cell technologies in new ways. This project harnesses photoelectrochemical water-splitting, which uses light energy to dissociate water molecules into hydrogen and oxygen. When the water-splitting device is submerged in saltwater and illuminated by sunlight, oxygen and hydrogen gas are produced on opposite surfaces, and can be either released or stored …

Ultrasound-Assisted Post-Pyrolysis Magnetization Of Microporous Biochar For Effective Removal Of Heavy Metals, Ronish Shrestha

Honors Theses

Low cost and efficient adsorption of heavy metals from wastewater and thorough removal of adsorbent after water treatment have become the two essential needs for the commercial use of any adsorbent. Biochar (BC), the solid byproduct of pyrolysis with microporous carbonaceous structure, has been increasingly recognized as an efficient adsorbent for a vast number of pollutants. Magnetization, though eases the separation and reuse of BC, significantly reduces its adsorption capacity to a comparatively much higher extent. In this study, a hybrid post-pyrolysis magnetization was developed which sustained and even significantly increased the adsorption capacity of biochar. The process included i) …

Comparative Analysis Of The Results From The Ideal Gas Assumptions With More Rigorous Calculations From Pro/Ii Of The Production Of Pharmaceutical Grade Acetone, Soibifaa Frank-Briggs

Honors Theses

The Chemical engineering team was assigned by Landshark Inc to investigate the production of 30,000 tonnes/yr of pharmaceutical-grade acetone with a purity of 99.9 wt.% from the dehydrogenation of isopropanol (IPA). The team was tasked with determining the necessary process and unit operation criteria to ensure the economic feasibility of the proposed plant.

The major goal of this thesis is to provide a data comparison of the reactor in acetone production process when designed in Microsoft Excel and Pro/II. The first part of this thesis will introduce the base case briefly, transition into engineering optimizations and show the results found …

Chemical And Thermal Sintering Of Supported Metals With Emphasis On Cobalt Catalysts During Fischer−Tropsch Synthesis, Mahmood Rahmati, Mohammad-Saeed Safdari, Thomas H. Fletcher, Morris D. Argyle, Calvin H. Bartholomew

Faculty Publications

This comprehensive critical review combines, for the first time, recent advances in nanoscale surface chemistry, surface science, DFT, adsorption calorimetry, and in situ XRD and TEM to provide new insights into catalyst sintering. This work provides qualitative and quantitative estimates of the extent and rate of sintering as functions of nanocrystal (NC) size, temperature, and atmosphere. This review is unique in that besides summarizing important, useful data from previous studies, it also advances the field through addition of (i) improved or new models, (ii) new data summarized in original tables and figures, and (iii) new fundamental perspectives into sintering of …

Bulk Properties Correlated To The Hydrogen Bond Organization In Dendrimers, Hyperbranched Polymers, And Linear Polymers, Beibei Chen

Dissertations

Although a lot of research was conducted on dendritic polymers, our understanding of their structure-property is still limited. Our previous study, which focused on a family of dendritic polymers based on 2,2-bis(hydroxymethyl) propionic acid (bis-MPA) as a monomer, discovered unique hydrogen bond organizations contributed by their dendritic structures. However, the influence of the H-bond organization on bulk properties has yet to be understood. The goal of this dissertation is to elucidate the correlation between the H-bond organization with the dielectric and volumetric properties of bis-MPA based dendritic polymers, with an emphasis on developing a fundamental understanding of to what extent …