Chemical Engineering Commons^™

Theoretical Investigation Of The Biomass Conversion On Transition Metal Surfaces Based On Density Functional Theory Calculations And Machine Learning, Wenqiang Yang

Theses and Dissertations

During the past decades, heterogenous catalyzed conversion of biomass to hydrocarbons with similar or identical properties to conventional fossil fuels has gained significantly academic and industrial interest. However, the conventional heterogeneous catalysts such as sulfided NiMo/Al₂O₃ and CoMo/Al₂O₃ used have various drawbacks, such as short catalyst lifetime and high sulfur content of product. To overcome the limitations of the conventional sulfided catalysts, new catalysts must be developed, which requires a better understanding of the reaction mechanism of the biomass conversion. Based on density functional theory, in this thesis, we reported a computational calculation study …

A Study Of The Thermodynamics Of Small Systems And Phase Transition In Bulk Square Well-Hard Disk Binary Mixture, Gulce Kalyoncu

Graduate Theses and Dissertations

Under the umbrella of statistical mechanics and particle-based simulations, two distinct problems have been discussed in this study. The first part included systems of finite clusters of three and 13 particles, where the particles are interacting via Lennard Jones potential. A machine learning technique, Diffusion Maps (DMap), has been employed to the large datasets of thermodynamically small systems from Monte Carlo simulations in order to identify the structural and energetic changes in these systems. DMap suggests at most three dimensions are required to describe and identify the systems with 9 (N = 3) and 39 (N = 13) dimensions. At …

Analysis Of Identification Method For Bacterial Species And Antibiotic Resistance Genes Using Optical Data From Dna Oligomers, Ryan L. Wood, Tanner Jensen, Cindi Wadsworth, Mark Clement, Prashant Nagpal, William G. Pitt

Faculty Publications

Bacterial antibiotic resistance is becoming a significant health threat, and rapid identification of antibiotic-resistant bacteria is essential to save lives and reduce the spread of antibiotic resistance. This paper analyzes the ability of machine learning algorithms (MLAs) to process data from a novel spectroscopic diagnostic device to identify antibiotic-resistant genes and bacterial species by comparison to available bacterial DNA sequences. Simulation results show that the algorithms attain from 92% accuracy (for genes) up to 99% accuracy (for species). This novel approach identifies genes and species by optically reading the percentage of A, C, G, T bases in 1000s of short …

Analysis Of Identification Method For Bacterial Species And Antibiotic Resistance Genes Using Optical Data From Dna Oligomers, Ryan L. Wood, Tanner Jensen, Cindi Wadsworth, Mark Clement, Prashant Nagpal, William G. Pitt

Faculty Publications

Bacterial antibiotic resistance is becoming a significant health threat, and rapid identification of antibiotic-resistant bacteria is essential to save lives and reduce the spread of antibiotic resistance. This paper analyzes the ability of machine learning algorithms (MLAs) to process data from a novel spectroscopic diagnostic device to identify antibiotic-resistant genes and bacterial species by comparison to available bacterial DNA sequences. Simulation results show that the algorithms attain from 92% accuracy (for genes) up to 99% accuracy (for species). This novel approach identifies genes and species by optically reading the percentage of A, C, G, T bases in 1000s of short …

Application Of Artificial Neural Networks In The Drilling Processes: Can Equivalent Circulation Density Be Estimated Prior To Drilling?, Husam Hasan Alkinani, Abo Taleb Al-Hameedi, Shari Dunn-Norman, David Lian

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

As the drilling environment became more challenging nowadays, managing equivalent circulating density (ECD) is a key factor to minimize non-productive time (NPT) due to many drilling obstacles such as stuck pipe, formation fracturing, and lost circulation. The goal of this work was to predict ECD prior to drilling by using artificial neural network (ANN). Once ECD is recognized, the crucial drilling variables impact ECD can be modified to control ECD within the acceptable ranges. Data from over 2000 wells collected worldwide were used in this study to create an ANN to predict ECD prior to drilling. Into training, validation, and …

Discovery Of Materials Through Applied Machine Learning, Travis Williams

Theses and Dissertations

Advances in artificial intelligence technology, specifically machine learning, have cre- ated opportunities in the material sciences to accelerate material discovery and gain fundamental understanding of the interaction between certain the constituent ele- ments of a material and the properties expressed by that material. Application of machine learning to experimental materials discovery is slow due to the monetary and temporal cost of experimental data, but parallel techniques such as continuous com- positional gradients or high-throughput characterization setups are capable of gener- ating larger amounts of data than the typical experimental process, and therefore are suitable for combination with machine learning. A …

Analyzing Evolution Of Rare Events Through Social Media Data, Xiaoyu Lu

Dissertations

Recently, some researchers have attempted to find a relationship between the evolution of rare events and temporal-spatial patterns of social media activities. Their studies verify that the relationship exists in both time and spatial domains. However, few of those studies can accurately deduce a time point when social media activities are most highly affected by a rare event because producing an accurate temporal pattern of social media during the evolution of a rare event is very difficult. This work expands the current studies along three directions. Firstly, we focus on the intensity of information volume and propose an innovative clustering …

Field Drilling Data Cleaning And Preparation For Data Analytics Applications, Daniel Cardoso Braga

LSU Master's Theses

Throughout the history of oil well drilling, service providers have been continuously striving to improve performance and reduce total drilling costs to operating companies. Despite constant improvement in tools, products, and processes, data science has not played a large part in oil well drilling. With the implementation of data science in the energy sector, companies have come to see significant value in efficiently processing the massive amounts of data produced by the multitude of internet of thing (IOT) sensors at the rig. The scope of this project is to combine academia and industry experience to analyze data from 13 different …

Mud Loss Estimation Using Machine Learning Approach, Abo Taleb T. Al-Hameedi, Husam H. Alkinani, Shari Dunn-Norman, Ralph E. Flori, Steven Austin Hilgedick, Ahmed S. Amer, Mortadha Alsaba

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Lost circulation costs are a significant expense in drilling oil and gas wells. Drilling anywhere in the Rumaila field, one the world's largest oilfields, requires penetrating the Dammam formation, which is notorious for lost circulation issues and thus a great source of information on lost circulation events. This paper presents a new, more precise model to predict lost circulation volumes, equivalent circulation density (ECD), and rate of penetration (ROP) in the Dammam formation. A larger data set, more systematic statistical approach, and a machine-learning algorithm have produced statistical models that give a better prediction of the lost circulation volumes, ECD, …

Intelligent Machine Learning: Tailor-Making Macromolecules, Yousef Mohammadi, Mohammad Reza Saeb, Alexander Penlidis, Esmaiel Jabbari, Florian J. Stadler, Philippe Zinck, Krzysztof Matyjaszewski

Faculty Publications

Nowadays, polymer reaction engineers seek robust and effective tools to synthesize complex macromolecules with well-defined and desirable microstructural and architectural characteristics. Over the past few decades, several promising approaches, such as controlled living (co)polymerization systems and chain-shuttling reactions have been proposed and widely applied to synthesize rather complex macromolecules with controlled monomer sequences. Despite the unique potential of the newly developed techniques, tailor-making the microstructure of macromolecules by suggesting the most appropriate polymerization recipe still remains a very challenging task. In the current work, two versatile and powerful tools capable of effectively addressing the aforementioned questions have been proposed and …

An Elastic-Net Logistic Regression Approach To Generate Classifiers And Gene Signatures For Types Of Immune Cells And T Helper Cell Subsets, Arezo Torang, Paraag Gupta, David J. Klinke Ii

Faculty & Staff Scholarship

Background: Host immune response is coordinated by a variety of different specialized cell types that vary in time and location. While host immune response can be studied using conventional low-dimensional approaches, advances in transcriptomics analysis may provide a less biased view. Yet, leveraging transcriptomics data to identify immune cell subtypes presents challenges for extracting informative gene signatures hidden within a high dimensional transcriptomics space characterized by low sample numbers with noisy and missing values. To address these challenges, we explore using machine learning methods to select gene subsets and estimate gene coefficients simultaneously. Results: Elastic-net logistic regression, a type of …

Building Shared Knowledge For Eor Technologies: Screening Guideline Constructions, Dashboards, And Advanced Data Analysis, Na Zhang

Doctoral Dissertations

"Successful implementation of enhanced oil recovery (EOR) technology requires comprehensive knowledge and experiences based on existing EOR projects. EOR screening guidelines and EOR reservoir analog are served as such knowledge which are considered as the first step for a reservoir engineer to determine the next step techniques to improve the ultimate oil recovery from their assets. The objective of this research work is to provide better assistance for EOR selection by using fundamental statistics methods and machine learning techniques.

In this dissertation, a total of 977 worldwide EOR projects with the most uniformed, high-quality, and comprehensive information were collected from …

Decoding Complexity In Metabolic Networks Using Integrated Mechanistic And Machine Learning Approaches, Tolutola Timothy Oyetunde

McKelvey School of Engineering Graduate Student Theses & Dissertations

How can we get living cells to do what we want? What do they actually ‘want’? What ‘rules’ do they observe? How can we better understand and manipulate them? Answers to fundamental research questions like these are critical to overcoming bottlenecks in metabolic engineering and optimizing heterologous pathways for synthetic biology applications. Unfortunately, biological systems are too complex to be completely described by physicochemical modeling alone.

In this research, I developed and applied integrated mechanistic and data-driven frameworks to help uncover the mysteries of cellular regulation and control. These tools provide a computational framework for seeking answers to pertinent biological …

Gekko Optimization Suite, Logan Beal, Daniel Hill, Ronald Abraham Martin, John Hedengren

Faculty Publications

This paper introduces GEKKO as an optimization suite for Python. GEKKO specializes in dynamic optimization problems for mixed-integer, nonlinear, and differential algebraic equations (DAE) problems. By blending the approaches of typical algebraic modeling languages (AML) and optimal control packages, GEKKO greatly facilitates the development and application of tools such as nonlinear model predicative control (NMPC), real-time optimization (RTO), moving horizon estimation (MHE), and dynamic simulation. GEKKO is an object-oriented Python library that offers model construction, analysis tools, and visualization of simulation and optimization. In a single package, GEKKO provides model reduction, an object-oriented library for data reconciliation/model predictive control, and …

Using Artificial Intelligence And Machine Learning To Develop Synthetic Well Logs, Marwan Mohammed Alnuaimi

Graduate Theses, Dissertations, and Problem Reports (ETD)

There has been an increase in the need for energy in the recent past. Oil and gas stand as the source of energy that are widely used. The oil and gas reservoirs are targeted for the purposes of field development. The conventional methods of reservoir characteristics require computing techniques that are unique and complex, some of which are labor and time intensive. Mohaghegh argues that all efforts must be tried and made possible to apply Petroleum Data analytics in production and management of reservoir so as to earn a maximum return (Mohaghegh, Shale Analytics, 2017). Different methodologies have been applied …

Data Driven Discovery Of Materials Properties., Fadoua Khmaissia

Electronic Theses and Dissertations

The high pace of nowadays industrial evolution is creating an urgent need to design new cost efficient materials that can satisfy both current and future demands. However, with the increase of structural and functional complexity of materials, the ability to rationally design new materials with a precise set of properties has become increasingly challenging. This basic observation has triggered the idea of applying machine learning techniques in the field, which was further encouraged by the launch of the Materials Genome Initiative (MGI) by the US government since 2011. In this work, we present a novel approach to apply machine learning …

Digital Image-Based Frameworks For Monitoring And Controlling Of Particulate Systems, Bing Zhang

LSU Doctoral Dissertations

Particulate processes have been widely involved in various industries and most products in the chemical industry today are manufactured as particulates. Previous research and practise illustrate that the final product quality can be influenced by particle properties such as size and shape which are related to operating conditions. Online characterization of these particles is an important step for maintaining desired product quality in particulate processes. Image-based characterization method for the purpose of monitoring and control particulate processes is very promising and attractive. The development of a digital image-based framework, in the context of this research, can be envisioned in two …