Ansys Discovery And Fluent Files For Modeling A Hydrocyclone With Scco2 And Coal Fly Ash, Isaiah Morones, Catherine Brewer

Chemical & Materials Engineering: Datasets

No abstract provided.

Modeling And Estimation Of Co2 Capture By Porous Liquids Through Machine Learning, Farid Amirkhani, Amir Dashti, Hossein Abedsoltan, Amir H. Mohammadi, John L. Zhou, Ali Altaee

Chemical and Biochemical Engineering Faculty Research & Creative Works

Porous liquids (PLs) are newly developed porous materials that combine unique fluidity with permanent porosity, which exhibit promising functionalities. They have shown ability to efficiently absorb greenhouse gases such as carbon dioxide (CO₂). Experimental measurement is one approach to determining the solubility of various greenhouse gases in PLs, which has drawbacks such as being expensive and time-consuming. Hence, simulation models are valuable to predict the solubility of CO₂ in various PLs. This work aims to develop machine learning (ML) modeling methods for accurately estimating CO₂ solubility under varying conditions (e.g. PLs, temperature, pressure). Adaptive Neuro-Fuzzy Inference …

Justification Of Permissible Discharges Of Water Users Into Water Bodies, Mariia S. Stroganova, Ivan V. Antonov, Andrey V. Epifanov

CHEMISTRY AND CHEMICAL ENGINEERING

The purpose of this work is developing an algorithm for ecological and technological rationing of the permissible load on water bodies using geoinformation systems. The algorithm takes into account the self-purification of aquatic ecosystems using a three-component model. Initially, the article provides an overview of methods for determining the permissible discharge masses of pollutants for developing new approaches to rationing. The algorithm of ecological and technological rationing of the load on water bodies and geoinformation systems for its implementation is proposed. The main models used to assess the ecological state of an aquatic ecosystem are considered. A three-component model of …

Methodology Of Automated Control Of Situations In Structurally Complex Systems With Recycled Flows, Khusan Zokirovich Igamberdiev Academician, Madina Mirxalilovma Fozilova

Chemical Technology, Control and Management

This article discusses the methodology of automated management of situations in structurally complex systems with recycled flows. The need to develop a correct model for effectively controlling such systems based on scientific principles of analysis and decision-making is substantiated. Particular attention is paid to modeling, optimizing, and using digital technologies, including artificial intelligence, to improve the accuracy and efficiency of management decisions. The principles of decomposition, multi-criteria optimization, and linguistic models of fuzzy correspondence are described, which can be used in conditions of uncertainty and complexity of industrial facilities.

Modeling And Simulation Of Carbon-Neutral Strategies For Methanol Production, Omar Almaraz Barrios

Graduate Theses, Dissertations, and Problem Reports (ETD)

Methanol is a versatile chemical that can be used as a fuel, a solvent, a feedstock for other chemicals, and a hydrogen carrier. Methanol production from natural gas, which is mainly composed of methane, is a well-established process that involves steam reforming, methanol synthesis, and methanol purification. However, this process is energy-intensive and emits large amounts of carbon dioxide, which contributes to global warming and climate change. Therefore, there is a need for alternative methods of methanol production that are more efficient and environmentally friendly. The overall objective of this research is to develop simulation models of two novel methanol …

Modeling And Simulation Of A Process For Upcycling Of Low-Density Polyethylene Plastic Waste To Ethylene, Xiaoyan Wang

Graduate Theses, Dissertations, and Problem Reports (ETD)

Ethylene is one of the most widely produced petrochemicals, with an estimated global output of 180 million metric tons in 2022. Approximately 82 million metric tons of ethylene are used annually for plastic production, primarily for polyethylene (PE), as well as polypropylene (PP) and polyvinyl chloride (PVC). The CO₂ emissions associated with PE production were approximately 14 million metric tons in 2022. Globally, an estimated 70 million metric tons of PE are produced and consumed each year, with the majority (~79%) ending up in landfills or the environment.

This project proposes a novel process in which waste low-density polyethylene (LDPE) …

Computational Modeling Of The Heat Treatment Of White Oak Bound For Spirit Maturation, Kate E. Mclarney-Popham

Theses and Dissertations--Chemical and Materials Engineering

Maturation of distilled spirits in white oak barrels is a long standing practice known to have great impact on spirit character. Much of this impact can be controlled by the thermal modification of the barrel, since thermal degradation of the wood determines what wood compounds are available to interact with the spirit during maturation. In this work, a computational model for the thermal degradation of wood was developed and, with flavor compound data from literature, was used to investigate the effect of heat treatment on lignin-derived flavor compounds. The computational model in this work accounted for three solid species, three …

Study Of The Application Of Blender For Simulation Of A Closed-Loop Image-Based Greenhouse Supplemental Lighting Control, Kip Nieman, Helen Durand

Chemical Engineering and Materials Science Faculty Research Publications

Image-based control and sensing has been applied in a wide variety of next generation manufacturing fields. Utilizing methods of simulating closed-loop image-based control may be advantageous for improving control performance and design without the need for an experimental setup. One software capable of these simulations is the open-source 3D modeling software Blender, which has many capabilities aided by a Python API. This work explores the use of Blender as an image-based control test bed, where both the process and the controller are simulated, in the context of a greenhouse supplemental lighting control system.

Synthesis Of An Adaptive Neuro-Fuzzy Control System For Steam Generator Temperature, Isomiddin Xakimovich Siddikov, Dilnoza Maxamadjanovna Umurzakova

Chemical Technology, Control and Management

This paper is devoted to the modeling and synthesis of an adaptive neuro-fuzzy control system for steam generator temperature. Temperature control systems play an important role in industry because accurate and stable control is a prerequisite for the efficient operation of steam systems. Traditional control methods based on mathematical models and fixed parameter controllers may have limitations in providing optimal performance and adapting to changing operating conditions. The paper proposes a synthesized system combining fuzzy logic and adaptation methods to achieve more accurate and stable temperature control. A detailed structural diagram of the system, modeling, and tuning methods are presented. …

Study Of Reactive Distillation Equipment For Eterification Process, Abbos Elmanov, Abdulaziz Bakhtiyorov, Adham Norkobilov, Olimjon Maksudov, Zarif Oripov

CHEMISTRY AND CHEMICAL ENGINEERING

The purpose of this work is to study the chemical technological processes for eterification processes, and the reactive distillation unit, which carries out the reaction and separation process in one device, was chosen as the object of research. А reаctive distillаtion system is exаmined to produce for the production of Ethyl Acetate (EtAc) viа eterificаtion of acetic acid (HAc) with ethаnol. Optimizаtion methods using sensitivity analysis аre аlso conducted. Cаlculаtion of vаpor liquid equilibrium of the mixture system is done using UNIFАC model. Heat integration from the distillate stream of the column to the acid feed stream and from bottom …

Modeling, Control, And Fault Detection Of Energy Systems Under Limited High-Confidence Data Scenarios, Selorme K. Agbleze

Graduate Theses, Dissertations, and Problem Reports (ETD)

Abstract

Modeling, Control, and Fault Detection of Energy Systems under Limited High-Confidence Data Scenarios

Selorme K. Agbleze

Utilizing process measurements for fault detection is an established approach for processes with adequate datasets. For systems with limited high-confidence data representing fault cases and some amount of low-confidence data, few quantitative hybrid techniques exist for performing fault detection. In real systems, it is time-consuming, expensive, and sometimes not productive to generate enough high-confidence data with fault characteristics of a specific process. The problem of limited high-confidence data scenarios may also arise due to process novelty, the need for new operating conditions, or …

Polylactic Acid (Pla) Containing Talc Microparticles And Amorphous Polyhydroxyalkanoates (Aphas) For Improved Barrier And Mechanical Properties In Food Packaging, Mohammed Alfaifi

Graduate Theses, Dissertations, and Problem Reports (ETD)

Polylactic acid (PLA) is a biobased and compostable polymer that is increasingly being used as an alternative to petroleum-based, non-biodegradable polymers for single-use food packaging due to its environmental benefits. It is also commercially available in large quantities, and it can be processed like polyethylene. However, it has a higher water-vapor permeability (WVP) as compared to polyolefins and polyethylene terephthalate that are the incumbent materials. This results in a competitive disadvantage in employing PLA for packaging baked goods since the shelf life of the food is likely to be reduced. In the past, barrier properties of PLA were improved by …

Modeling Of Amine-Based Co2 Capture Process, Zafar Safarovich Turakulov

Chemical Technology, Control and Management

A significant factor influencing climate change is the release of carbon dioxide (CO₂) into the atmosphere as a consequence of human activities such as the combustion of fossil fuels. Climate change can be slowed down by taking action to mitigate industrial-scale CO₂ emissions. Currently, the most advanced technology for capturing CO₂ from industrial flue gases is the post-combustion CO₂ capture based on amine absorption. However, due to the high energy penalties of existing CO₂ capture technologies and insufficient carbon markets, it is necessary to develop methods that compete with these technologies or minimize their …

A Review On Liquid Flow Through Low-Density Fibrous Porous Media, Hossein Abedsoltan

Chemical and Biochemical Engineering Faculty Research & Creative Works

This review focuses on studying liquid flow through low-density fibrous porous media, particularly tissue grades of papers. It discusses experimental designs, factors affecting liquid flow, and various versions of the Lucas-Washburn equation and permeability expressions used to estimate liquid flow in these media. While a comprehensive model for liquid flow in these materials is lacking due to their structural complexity, numerous experimental methods have been developed to determine absorption properties, particularly for wiping and cleaning liquids. The review covers these methods, many of which are proposed by standard organizations. It is a valuable reference for scientists interested in understanding the …

Equation-Based And Data-Driven Modeling: Open-Source Software Current State And Future Directions, Lagrande Gunnell, Bethany Nicholson, John Hedengren

Faculty Publications

A review of current trends in scientific computing reveals a broad shift to open-source and higher-level programming languages such as Python and growing career opportunities over the next decade. Open-source modeling tools accelerate innovation in equation-based and data-driven applications. Significant resources have been deployed to develop data-driven tools (PyTorch, TensorFlow, Scikit-learn) from tech companies that rely on machine learning services to meet business needs while keeping the foundational tools open. Open-source equation-based tools such as Pyomo, CasADi, Gekko, and JuMP are also gaining momentum according to user community and development pace metrics. Integration of data-driven and principles-based tools is emerging. …

Multiscale Modeling And Gaussian Process Regression For Applications In Composite Materials, Joshua Arp

All Dissertations

An ongoing challenge in advanced materials design is the development of accurate multiscale models that consider uncertainty while establishing a link between knowledge or information about constituent materials to overall composite properties. Successful models can accurately predict composite properties, reducing the high financial and labor costs associated with experimental determination and accelerating material innovation. Whereas early pioneers in micromechanics developed simplistic theoretical models to map these relationships, modern advances in computer technology have enabled detailed simulators capable of accurately predicting complex and multiscale phenomena.

This work advances domain knowledge via two means: firstly, through the development of high-fidelity, physics-based finite …

Modeling And Dynamic Correction Of The Thermal Radiation Fluxes Measuring System, Olexander Alekseevich Sytnik, Fatima Mirazizovna Sagatova

Chemical Technology, Control and Management

Temperature measurements are currently an integral part of modern production, in particular, energy, aviation, instrumentation, etc. Therefore, the need to improve the accuracy of measurement, control and regulation of temperature largely determines the technical and economic efficiency of production. The development of reliable methods for temperature control under various conditions and the creation of specific devices is one of the most important tasks of modern instrumentation. The article deals with the issues of solving the problems of modeling and correcting the dynamic characteristics of a system for measuring thermal radiation fluxes using the integral method of signal recovery. For computer …

Mathematical Description And Algorithm For Solving The Model Of The Ionite Regeneration Process In The Ion Exchange Method Of Water Softening, Djalolitdin Paxritdinovich Mukhitdinov, Nilufar Abdusami Qizi Yunusova

Chemical Technology, Control and Management

Based on the modern representation of the water softening process by the ion exchange method, modeling was carried out, an algorithm was developed and the ionite regeneration process was calculated in a water softening plant with a fixed ionite layer. To solve the system of equations of the model, special, but simple enough for use in engineering calculations, techniques and methods have been developed and applied. The constructed model and its solution algorithm can be used to predict the process of ionite regeneration in an ion exchange apparatus. It can also be used to calculate the time of the ionite …

Modeling And Adjustment Of A Fuzzy Controller In A Bioreactor Control System, Mahmudov Giyosjon Baqoyevich

Chemical Technology, Control and Management

The article describes the modeling and configuration of a fuzzy controller for the control system of the bacterial oxidation of hard-to-enrich gold-bearing sulfide ores. The simulated logical fuzzy controller allows you to save the consumption of refrigerant water consumed in the process by 4,3%, using it to control the process of bacterial oxidation.

Magnetic Inversion Approach For Modeling Data Acquired Across Faults: Various Environmental Cases Studies, Khalid S. Essa, Eid R. Abo-Ezz, Neil Lennart Anderson, Omar A. Gomaa, Mahmoud Elhussein

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

An effective extension to the particle swarm optimizer scheme has been developed to visualize and modelize robustly magnetic data acquired across vertical or dipping faults. This method can be applied to magnetic data sets that support various investigations, including mining, fault hazards assessment, and hydrocarbon exploration. The inversion algorithm is established depending on the second horizontal derivative technique and the particle swarm optimizer algorithm and was utilized for multi-source models. Herein, the inversion method is applied to three synthetic models (a dipping fault model contaminated without and with different Gaussian noises levels, a dipping fault model affected by regional anomaly, …

Techno-Economic Analysis And Optimization Of Hydrogen And Mechanical Energy Storage Systems, Pavitra Senthamilselvan Sengalani

Graduate Theses, Dissertations, and Problem Reports (ETD)

The increasing significance of renewable energy sources is thrusting the load cycling of fossil-fueled power plants (FFPP), designed to operate under nominal-load conditions. Integration of energy storage systems (ESS) with the FFPPs such as hydrogen energy storage (HES) and mechanical energy storage facility such as compressed air energy storage (CAES) shows the potential to minimize the levelized cost of electricity during high demand scenarios and also minimize the negative impacts of off-design FFPP operation. The deployment of energy storage facilities at the FFPP level have considerable potential advantages as they can be exploited within the existing equipment items and facilities …

Modeling And Simulation Of A Process That Converts Ethane To Ethylene And Ethylene To Low Density Polyethylene, Ernest Bosire Mokaya

Graduate Theses, Dissertations, and Problem Reports (ETD)

Ethylene is a critical feedstock and a major building block in the petrochemical industry that is used in synthesizing important products like polyethylene, ethanol, ethylene oxide, ethylene dichloride and ethylbenzene. With increasing demand of plastics, production of ethylene and subsequently polyethylene has increased globally. This thesis conducts the modeling and simulation of an integrated process that utilizes ethane as the primary feedstock to produce ethylene and the subsequent polymerization of ethylene to low-density polyethylene (LDPE). The process combines two different processes into one integrated process: (1) conversion of ethane to ethylene and (2) conversion of ethylene to LDPE. First, a …

Modeling Solvent Extraction Of Lignin From Hardwoods, Su Pan

McKelvey School of Engineering Graduate Student Theses & Dissertations

This study interprets the observed behavior of solvent extraction of lignin from hardwoods by adapting the framework of the FLASHCHAIN theory (Niksa and Kerstein, 1991; Niksa, 2017). A constitution submodel specifies distributions of molecular weight and reactive sites for native lignin. The model simulates delignification as depolymerization of lignin macromolecules into fragments small enough to be soluble. This process competes with intrachain condensation that consumes labile bridges without forming new fragments, and with recombination that forms larger chains and inhibits further depolymerization. After the soluble fragments are transported from the particle into the bulk solvent, all chemistry continues as long …

Modelling Of Reаctive Distillаtion Process For Etherificаtion Reаction, Adham Norkobilov, Olimjon Mаksudov, Abdulaziz Bаkhtiyorov, Orifjon Zаripov, Abbos Elmаnov

CHEMISTRY AND CHEMICAL ENGINEERING

А reаctive distillаtion system is exаmined to produce for the production of Ethyl tert butyl ether (ETBE) viа etherificаtion of isobutene with ethаnol. Optimizаtion methods using heаt integrаtion аre аlso conducted. The molаr reflux rаtio аnd reboiler duty аre cаlculаted using sensitivity аnаlysis. The bottom streаm with the sаtisfied purity of ETBE is integrаted for heаting the feed streаm to the column. Heаt integrаtion from reаctor heаt to the initiаl feed streаm аnd from bottom streаm of the column to the column inlet streаm with the purpose of аchieving tаrget feed temperаture leаds to high conversion in the reаctive distillаtion …

Development Of A Multi-Scale Mechano-Electrochemical Battery Model, Drew J. Pereira

Theses and Dissertations

As the automotive industry moves towards large format electric vehicles, such as trucks and SUVs, the need for highly efficient, energy-dense electrodes rapidly increases. Several promising active materials have been studied and proposed, however, many of these materials undergo significant volume change upon lithiation and de-lithiation. Cell and pack designers struggle to understand and predict how active material volume change at the particle scale will affect mechano-electrochemical behavior on the electrode, cell, and pack scales. Additionally, many of these active materials suffer in their cycle life due to a mechanically-driven degradation of the electrode matrix. Therefore, the focus of this …

Creation And Application Of Various Tools For The Reconstruction, Curation, And Analysis Of Genome-Scale Models Of Metabolism, Wheaton L. Schroeder

Department of Chemical and Biomolecular Engineering: Dissertations, Theses, and Student Research

Systems biology uses mathematics tools, modeling, and analysis for holistic understanding and design of biological systems, allowing the investigation of metabolism and the generation of actionable hypotheses based on model analyses. Detailed here are several systems biology tools for model reconstruction, curation, analysis, and application through synthetic biology. The first, OptFill, is a holistic (whole model) and conservative (minimizing change) tool to aid in genome-scale model (GSM) reconstructions by filling metabolic gaps caused by lack of system knowledge. This is accomplished through Mixed Integer Linear Programming (MILP), one step of which may also be independently used as an additional curation …

Cyclic Sequential Adsorption Desorption/Thermal-Catalytic Oxidation Of Volatile Organic Compounds: Material Development, Process Advancement/Improvement, And Numerical Modeling, Simulation And Optimization, Busuyi Ojo Adebayo

Doctoral Dissertations

"Volatile organic compounds (VOCs) are a group of useful organic chemicals but when emitted have contributed to air pollution. They affect human health, cause environmental degradation and contaminate our waters and soils, so they need to be controlled. When they exist in dilute concentrations, abatement becomes challenging, thus requiring advanced abatement methods, e.g., sequential adsorption desorption/thermal-catalytic oxidation process. The overall goal of this research was to abate dilute streams of VOCs via the process. The specific objectives were to 1) develop novel adsorbent/catalyst dual-function materials (DFMs) for the process, 2) improve the operability of a one-bed-one-column reactor configuration for the …

Modeling The Influence Of Changes In Aliphatic Structure On Char Surface Area During Coal Pyrolysis, He Yang, Thomas H. Fletcher, Yang Li, Lijun Jin, Sufen Li, Yan Shang, Haoquan Hu

Faculty Publications

The influence of changes in aliphatic structure on char surface area during coal pyrolysis was modeled, and the effect was introduced to a previous char surface area model for lignite pyrolysis established based on the chemical percolation devolatilization (CPD) model. The modified model can predict not only the N2 and CO2 char surface area during rapid pyrolysis of three lignites but also the CO2 char surface area of two high-volatile bituminous coals; the agreement of the modified model with experiments is improved at high temperatures. The decrease in aliphatic chain length can reduce adsorption positions around aromatic core, and decrease …

Modeling Of Rotary Packed Beds For Reactive And Non-Reactive Systems, Chinyere Evangeline Ezeobinwune

Graduate Theses, Dissertations, and Problem Reports (ETD)

Rotary packed beds (RPBs) are used in a wide range of reactive and non-reactive applications. In this research, a 2-d, first-principles, dynamic model of a non-reactive RPB that is used for heat exchange between the outgoing flue gas from a power plant and the incoming air to the boiler/pulverizer of the power plant is developed. A 2-d, first-principles model of a reactive RPB is developed where a functionalized metal-organic framework (MOF) is used for CO₂ capture.

For the non-reactive system, a Ljungstrom-type air preheater (APH) is considered. Existing models for these rotating heat exchangers are typically 1-d. There are …

Molecular Modeling Of Tethered Polyelectrolytes For Novel Biomedical Applications, Merina Jahan

Theses and Dissertations

Current research trends throughout the world focus on designing intelligent materi- als and systems for diverse applications in all courses of life. Biomaterials research encompasses a major part in this revolution due to the increased effort in fulfilling unmet medical needs to treat complex physiological and neurodegenerative disorders. Polymers play inevitable roles in these research endeavors for their ubiquitous pres- ence in biological systems. Therefore, it is crucial to understand how the polymeric molecules interact within diverse biological environments, to efficiently engineer them for various drug delivery and biosensing systems. The use of experimental design and selection of different polymers …