Petroleum Engineering Commons^™

Predicting Simulation Times For Multiphase Thermal-Hydraulic Models, Andrew Yule, Andrew Taylor

SMU Data Science Review

Addressing the challenge of computationally intensive OLGA

simulations in the oil and gas industry, a machine learning framework is

developed for accurate runtime prediction. A specialized feature extraction

pipeline identifies key parameters—such as simulation time, time step,

number of branches, and section count—from OLGA input files that serve as

high-impact predictors. Multiple predictive models, including regression,

tree-based ensembles, and neural networks, are implemented to validate

accuracy and robustness. Results reveal that prioritizing simulations based on

predicted runtimes optimizes licensing resources and reduces operational

costs, making real-time scheduling more efficient. This research demonstrates

the effectiveness of data-driven runtime prediction in enhancing …

A Coarse-Grained Molecular Dynamics Study Of Gas Hydrate Formation And Dissociation, Meisam Adibifard

LSU Doctoral Dissertations

The study of gas hydrates has increased significantly over the last two decades because of their potential application in energy storage, production and transportation, water desalination, refrigeration, gas separation, etc. There is a significant interest in commercially developing natural gas hydrates because the energy content of methane hydrate reservoirs (MHRs) is at least twice that of all conventional fossil fuels combined. Additionally, due to the higher storage capacity of hydrates, it is proposed to sequester CO₂ in the form of CO₂ hydrate, thereby reducing the amount of greenhouse gases. Hence, hydrates offer a dual solution to two of …

Carbon Dioxide Gasification Of Biochar: A Study On Utilizing Captured Co2 To Mitigate Greenhouse Gas Emission And Improving Carbon Conversion Efficiency, Nnamdi Ofuani

College of Graduate Studies: Theses & Dissertations

With rapidly growing global economies and world population, fossil fuel continues to play a major role in meeting current energy demands. Carbon capture and storage (CCS) technologies have, hence, been implemented to reduce CO₂ emissions in the atmosphere. With the implementation of CCS technologies comes the need to utilize the captured CO₂. This research, therefore, proposes CO₂ gasification of biochar as a viable carbon utilization pathway. With captured CO₂ coming at various concentrations, there is a need to understand how CO₂ concentration affects biochar conversion to useful products. This study, therefore, evaluates the effects …

Investigation Of Operational Parameter Differences Between The Standard Ron Test Method And Knock-Limited Modern Spark-Ignition Engine Operation, Alexander Hoth

Dissertations, Master's Theses and Master's Reports

Octane numbers (ONs) are used worldwide to rate the knock propensity of gasoline-like fuels for spark-ignition engines, making ONs the leading indicator of fuel quality for commercial distribution. The ONs were established 90 years ago and have only received minor changes compared to significant advancements in modern engine operation and fuel composition. This has resulted in discrepancies between knock-limited modern engine operation and standard ON ratings. This dissertation used a standard CFR octane rating engine at Argonne National Laboratory that was instrumented with modern combustion research tools to investigate key differences between the Research Octane Number (RON) rating conditions and …

Investigations Of A Surrogate Fuel Based On Fischer-Tropsch Gtl And Ctl In Cvcc, Idi And Di Compression Ignition Engines, Amanda C. Weaver

College of Graduate Studies: Theses & Dissertations

With the increase in availability, feedstocks, and properties of alternative fuels, compatibility issues emerge between current engine platforms often requiring a limit on the blend percentage of alternative fuel in conventional fuel or alteration to the engine platform. Two key metrics were identified, autoignition quality and lubrication characteristics, as vital for the proper function of a compression ignition engine, and if the blend of alternative fuels matches these two criteria for the diesel standard, then the resulting blend percentage can be considered as a viable alternative for complete replacement of conventional petroleum ULSD. Autoignition quality was matched using blends S-8, …

Economic Feasibility Of Mixed Plastic Waste Pyrolysis Using Twin Reactor System In Northwest Arkansas, Carol Rogers, Patricia Means, Renato Gonzalez, Kaida Sheets, Hayden Townsend

Chemical Engineering Undergraduate Honors Theses

Plastic waste generation is increasing at an unsustainable rate while recycling solutions remain stagnant. As a chemical means of recycling, mixed plastic waste pyrolysis can generate synthetic oil appropriate for use as fuel in power generation from plastic waste that otherwise accumulates in landfills. With the scaling of a commercial plastic pyrolysis process in Northwest Arkansas (NWA) modeled after an operational sawdust pyrolysis unit in Huntsville, Arkansas, economic analysis resulted in 26.3% internal rate of return. Therefore, construction of a commercial mixed plastic-to-fuel pyrolysis plant is economically justified and should be pursued. To effectively implement the proposed design, NWA must …

Investigation Of Asphaltene Adsorption At Liquid-Liquid And Liquid-Solid Interfaces, Fang Liu

Dissertations and Theses

Asphaltenes, as indigenous components in crude oils, are believed to play an important role in the petroleum production and processing industry. For example, asphaltene molecules can adsorb onto the water / oil interface like the amphiphiles and hinder water droplet coalescence, resulting in the stabilization of water-in-oil emulsions. Also, in the upstream production, depending on the temperature and pressure, asphaltenes can precipitate and deposit onto the reservoir rocks, the wellbores and the pipelines, leading to the change in reservoir rocks’ surface wettability and the blockage of the production facilities. Hence, it is crucial to understand the mechanism of asphaltenes adsorption …

Understanding Inhibition Of A Biodesulfurization Enzyme To Improve Sulfur Removal From Petroleum, Yue Yu

Theses and Dissertations--Chemical and Materials Engineering

The biodesulfurization 4S-pathway is a promising complementary enzymatic approach to remove sulfur from recalcitrant thiophenic derivatives in petroleum products that remain from conventional hydrodesulfurization method without diminishing the calorific value of oil. The final step of this pathway involves the carbon-sulfur bond cleavage from HBPS, and the production of the final products 2-hydroxybiphenyl (HBP) and sulfite, has been recognized as the rate-limiting step, partially as a result of product inhibition. However, the mechanisms and factors responsible for product inhibition in the last step have not been fully understood. In this work, we proposed a computational investigation using molecular dynamic simulations …

High-Temperature, High-Pressure Viscosities And Densities Of Toluene, Aaron J. Rowane

Theses and Dissertations

High-temperature, high-pressure (HTHP) conditions are exemplified in ultra-deep petroleum reservoirs and can be exhibited within diesel engines. Accurate pure component hydrocarbon data is essential in understanding the overall behavior of petroleum and diesel fuel at these conditions. The present study focuses on the HTHP properties of toluene since this hydrocarbon is frequently used to increase the octane rating of gasoline and toluene occurs naturally in crude oil. In this thesis experimental densities and viscosity are presented to 535 K and 300 MPa extending the database of toluene viscosity data to higher temperature than previous studies. The data is correlated to …

Bioluminescent Magnetic Nanoparticles As Potential Imaging Agents For Mammalian Spermatozoa, Erick Salvador Vasquez, Jean M. Feugang, Scott T. Willard, Peter L. Ryan, Keisha B. Walters

Chemical and Materials Engineering Faculty Publications

Background: Nanoparticles have emerged as key materials for developing applications in nanomedicine, nanobiotechnology, bioimaging and theranostics. Existing bioimaging technologies include bioluminescent resonance energy transfer-conjugated quantum dots (BRET-QDs). Despite the current use of BRET-QDs for bioimaging, there are strong concerns about QD nanocomposites containing cadmium which exhibits potential cellular toxicity.

Results: In this study, bioluminescent composites comprised of magnetic nanoparticles and firefly luciferase (Photinus pyralis) are examined as potential light-emitting agents for imaging, detection, and tracking mammalian spermatozoa. Characterization was carried out using infrared spectroscopy, TEM and cryo-TEM imaging, and ζ-potential measurements to demonstrate the successful preparation of these nanocomposites. Binding …

Measurements And Modeling Of Hydrocarbon Mixture Fluid Properties Under Extreme Temperature And Pressure Conditions, Babatunde A. Bamgbade

Theses and Dissertations

Knowledge of thermodynamic fluid properties, such as density and phase behavior, is important for the design, operation, and safety of several processes including drilling, extraction, transportation, and separation that are required in the petroleum. The knowledge is even more critical at extreme temperature and pressure conditions as the search for more crude oil reserves lead to harsher conditions. Currently, there is dearth of experimental data at these conditions and as such, the predictive capability of the existing modeling tools are unproven. The objective of this research is to develop a fundamental understanding of the impact of molecular architecture on fluid …

Growth And Properties Of Carbon Microcoils And Nanocoils, Muneaki Hikita, Robyn Bradford, Khalid Lafdi

Chemical and Materials Engineering Faculty Publications

Various types of coiled carbon filaments have been synthesized using chemical vapor deposition and other methods. These carbon filaments exhibit unique electrical and mechanical properties due to their versatile shapes and structures. To form coiled shapes, different types of catalyst compositions and reactive gases have been explored. Generally, coiled carbon filaments are classified by coil diameter and shape (e.g., microcoil and nanocoil). In this review, coiled carbon filaments are classified into three growth mechanism categories:

(1) bidirectional double helical growth;

(2) bidirectional twisted growth; and

(3) tip single helical or twisted growth.

Next, their synthesis methods and hypothetical growth mechanisms …

Slow Release Of Ions From Internalized Silver Nanoparticles Modifies The Epidermal Growth Factor Signaling Response, Kristen K. Comfort, Elizabeth I. Maurer, Saber M. Hussain

Chemical and Materials Engineering Faculty Publications

Due to their distinctive physiochemical properties, including a robust antibacterial activity and plasmonic capability, hundreds of consumer and medical products contain colloidal silver nanoparticles (AgNPs). However, even at sub-toxic dosages, AgNPs are able to disrupt cell functionality, through a yet unknown mechanism. Moreover, internalized AgNPs have the potential to prolong this disruption, even after the removal of excess particles. In the present study, we evaluated the impact, mechanism of action, and continual effects of 50 nm AgNP exposure on epidermal growth factor (EGF) signal transduction within a human keratinocyte (HaCaT) cell line. After AgNP expose, EGF signaling was initially obstructed …

Less Is More: Long-Term In Vitro Exposure To Low Levels Of Silver Nanoparticles Provides New Insights For Nanomaterial Evaluation, Kristen K. Comfort, Laura K. Braydich-Stolle, Elizabeth I. Maurer, Saber M. Hussain

Chemical and Materials Engineering Faculty Publications

In view of the vast number of new nanomaterials (NMs) that require testing and the constraints associated with animal models, the majority of studies to elucidate nanotoxicological effects have occurred in vitro, with limited correlation and applicability to in vivo systems and realistic, occupational exposure scenarios.

In this study, we developed and implemented a chronic in vitromodel coupled with lower, regulatory dosages in order to provide a more realistic assessment of NM-dependent consequences and illuminate the implications of long-term NM exposure. When keratinocytes were exposed to 50 nm silver nanoparticles (Ag-NPs), we determined that chronically dosed cells operated …

The Biological Impact Of Concurrent Exposure To Metallic Nanoparticles And A Static Magnetic Field, Kristen K. Comfort, Elizabeth I. Maurer, Saber M. Hussain

Chemical and Materials Engineering Faculty Publications

The rapid advancement of technology has led to an exponential increase of both nanomaterial and magnetic field utilization in applications spanning a variety of sectors. While extensive work has focused on the impact of these two variables on biological systems independently, the existence of any synergistic effects following concurrent exposure has yet to be investigated. This study sought to ascertain the induced alterations to the stress and proliferation responses of the human adult low calcium, high temperature keratinocyte (HaCaT) cell line by the application of a static magnetic field (approximately 0.5 or 30 mT) in conjunction with either gold or …

Tannic Acid Coated Gold Nanorods Demonstrate A Distinctive Form Of Endosomal Uptake And Unique Distribution Within Cells, Emily A. Untener, Kristen K. Comfort, Elizabeth I. Maurer, Christin M. Grabinski, Donald A. Comfort, Saber M. Hussain

Chemical and Materials Engineering Faculty Publications

One of the primary challenges associated with nanoparticle-dependent biological applications is that endosomal entrapment in a physiological environment severely limits the desired targeting and functionality of the nanoconstructs. This study sought to overcome that challenge through a systematic approach of gold nanorod (GNR) functionalization: evaluating the influence of both aspect ratio and surface chemistry on targeted cellular internalization rates and preservation of particle integrity. Owing to their unique spectral properties and enhanced surface area, GNRs possess great potential for the advancement of nanobased delivery and imaging applications. However, their ability for efficient intracellular delivery while maintaining their specific physiochemical parameters …

Carbon Nanotubes Grown On Glass Fiber As A Strain Sensor For Real Time Structural Health Monitoring, Matthew Boehle, Qiong Jiang, Lingchuan Li, Alexandre Lagounov, Khalid Lafdi

Chemical and Materials Engineering Faculty Publications

In order to more effectively monitor the health of composite structures, a fuzzy fiber sensor has been developed. The fuzzy fiber is a bundle of glass fibers with carbon nanotubes or nanofibers (CNTs or CNFs) grown on the surface. The nanotube coating makes the fiber bundle conductive while the small conductive path increases sensitivity. The fuzzy fiber sensor can replace conventional metal foil strain gauges in composite applications. The electrical response of the sensor is monitored in real time to measure strain, vibration, cracking and delamination. Continuous monitoring provides instant notification of any problems. Implementation of this sensor network in …

Nitrogen And Hydrogen Plasma Treatments Of Multiwalled Carbon Nanotubes, John G. Jones, A. R. Waite, Christopher Muratore, Andrey A. Voevodin

Chemical and Materials Engineering Faculty Publications

This article investigates plasma treatment of vertically aligned multiwall carbon nanotube (CNT) films in different plasma environments for modification of surface chemistry and morphology. The surfaces of the CNTs were functionalized with a pulsed dc plasma treatment, where the power was directly applied to the nanotube film in low pressure argon/nitrogen and argon/hydrogen backgrounds. Optical emission spectroscopy was used to detect atomic and molecular excitations in the gas mixtures as well as in pure gases in the vicinity of the CNT films. In situx-ray photoelectron spectroscopy was performed on the treated samples to examine CNT surface chemistry after treatment. …

Signaling Pathways Activated By Interleukin-2 And Interluekin-4 Receptors Mediate T Lymphocyte Clonal Expansion, Kristen K. Comfort

Chemical and Materials Engineering Faculty Publications

Cells sense and respond to chemical and physical stimuli through signal transduction pathways, which mediate cell proliferation, differentiation, migration, and survival. The cytokines interleukin-2 (IL-2) and interleukin-4 (IL-4) are key regulators of the adaptive immune system, particularly influencing the clonal expansion and differentiation of T cells. At least in culture, both synergistic and antagonistic effects of IL-2 and IL-4 co-stimulation have been reported; the antagonism, when observed, is thought to arise from the utilization of a common subunit shared by IL-2 and IL-4 receptors. We have sought to characterize IL-2 and IL-4 signaling at the level of intracellular pathways activated …

Effect Of Plasma Flux Composition On The Nitriding Rate Of Stainless Steel, Christopher Muratore, Scott G. Walton, D. Leonhardt, Richard F. Fernsler, David D. Blackwell, R. A. Meger

Chemical and Materials Engineering Faculty Publications

The total ion flux and nitriding rate for stainless steel specimens exposed to a modulated electron beam generated argon-nitrogen plasma were measured as a function of distance from the electron beam axis. The total ion flux decreased linearly with distance, but the nitriding rate increased under certain conditions, contrary to other ion flux/nitriding rate comparisons published in the literature. Variation in ion flux composition with distance was explored with a mass spectrometer and energy analyzer as a possible explanation for the anomalous nitriding rate response to ion flux magnitude. A transition in ion flux composition from mostly N2 1 to …