Thermodynamics Commons^™

Neural Network Technologies In The Automatical Control Systems Of Absorption Process For Pureficating Natural Gas, Abdishukurov Maqsudovich Shavkat Mr, Xuecheng Li Li Xuecheng Mr

Technical science and innovation

Analysis of methods and algorithms for synthesizing adaptive control systems for technological processes based on the neural network approach is carried out in this search. The stages of mathematical modeling of complex technological processes using neural network technology were considered. Additionally, an algorithm for solving the interpolation and extrapolation problem that arises in the training process a neural network to control system was proposed. At the final stage of this article, algorithms based on neural network technology are synthesized for the control system for the parameters of the technological process of natural gas purification by absorption

A Comparative Study Of Tin Electrorefining In Molten Licl–Kcl–Cacl₂: Experimental Two-Electrode Current Control And Theoretical Three-Electrode Potential Control, Bryant Johnson, George Ankrah, Ander Fuller, Devin Rappleye

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

Molten salt electrorefining is a mature technology for metal recovery, yet conventional current‑controlled, two‑electrode operation provides limited electrochemical selectivity and restricted insight into electrode‑specific behavior. In this work, a simplified model is developed to compare current‑controlled two‑electrode electrorefining data with a potential‑controlled three‑electrode electrorefining simulation using tin in molten LiCl–KCl–CaCl₂ as a surrogate for plutonium processing. The model examines anodic and cathodic limitations under fixed‑potential operation and evaluates implications for selectivity, efficiency, and runtime relative to experimentally demonstrated two‑electrode performance. Results indicate that independent potential control enables operation closer to thermodynamic selectivity limits, with the potential to suppress impurity oxidation …

Effects Of Hofmeister Ions On Lower Critical Solution Temperatures Of Poly(N-Isopropylacrylamide) And Poly(Vinyl Methyl Ether), Joseph Joaquin

Williams Honors College, Honors Research Projects

The goal of this study is to compare how four different Hofmeister anions (Cl-, SCN-, F-, and I-) affect the Lower Critical Solution temperature (LCST) on two thermo-responsive polymers: poly(N-isopropylacrylamide) (pNIPAAM) and poly(vinyl methyl ether) (PVME). pNIPAAm is commonly used in the environmental applications such as monitoring, oil-water separations, or antifouling materials, and in medical industry from drug delivery to tissue engineering. When pNIPAAM or PVME reaches a temperature above their LCST, they become hydrophobic, and the polymer chains coiled, leading to their aqueous solutions turn opaque. PVME exhibits a similar LCST as that of pNIPAAM, so it can be …

Advancing Sustainable Co2 Mitigation: Experimental And Computational Analysis Of Thermal Carbon Chitosan Sorbent For Automotive Exhaust Capture, Dalia A. Ali Dr., Amir Ahmed Elgamal Eng., Rania Rushdy Moussa Dr.

Chemical Engineering

This study investigated the efficiency of thermal carbon chitosan (TCCS) sorbent for CO2 capture from vehicle exhaust emissions within a designed adsorption system. TCCS was synthesized and meticulously characterized using a series of analytical techniques, including Brunauer-Emmett-Teller (BET) surface area analysis, Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), Ther- mogravimetric Analysis (TGA), Energy Dispersive X-ray Spectroscopy (EDX), and Differential Scanning Calo- rimetry (DSC). The TCCS adsorbent showed high thermal stability and a heating value (HHV) of 23.5 MJ/kg. Adsorption isotherm study demonstrated that the maximum capacity of CO2 adsorption is 0.084 kg.CO2/kg. TCCS, as well …

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 …

Ultrafast Laser Surface Structuring For Wettability Control On Copper, Akshay Arvind Nagvenkar

All Theses

Wettability is a crucial surface property influencing various phenomena, including heat transfer, cell adhesion, and corrosion. Engineering devices can achieve superior performance by precisely manipulating surface wettability. As a result, extensive research has focused on developing surfaces that exhibit either extreme water attraction (superhydrophilic) or strong water repellency (superhydrophobic). Tailoring surface wettability paves the way for numerous applications, such as drag reduction in marine vessels, controlled drug delivery, efficient water collection, advanced liquid transport systems, oil-water separation, anti-corrosion coatings, friction reduction, and self-cleaning materials. Ultrafast laser surface structuring is a promising approach for engineering multifunctional surfaces, effectively modifying material properties …

Constant-Ph Molecular Dynamics At Inorganic Interfaces: Adding A New Dimension To Simulations Of Interfacial Phenomena., Ted Kalbfleisch

Electronic Theses and Dissertations

This dissertation explores the application of novel molecular dynamics simulation methods to better understand complex systems, with a particular focus on silica materials and protein interactions. Silica materials, known for their versatile surface and solution chemistries, play critical roles in catalysis, chromatography, and wastewater treatment. Despite their widespread use, the molecular-level interactions between silica surfaces and their environments remain poorly understood. To address this knowledge gap, we employed λ-dynamics enabled constant pH molecular dynamics to dynamically model protonation and deprotonation events on silica surfaces. Traditional experimental techniques such as x-ray crystallography, NMR, and cryo-EM are inadequate for probing structures in …

Research Of The Influence Of Physical And Chemical Properties Of Coal On The Gasification Process Using The Example Of Angren Brown Coal, Murodjon Mamitbekovich Kavkatbekov, Rakhimzhan Pachekhanovich Babakhodzhaev

Technical science and innovation

The influence of the properties of Angren brown on the process of layered gasification was studied. The dependence of the calorific value of the resulting gas on the quality characteristics of coal when using air as a gasifying agent has been established. Methods are shown for increasing the calorific value of gas obtained during the gasification process when using coal with different moisture content and different fractional composition. The features of technological processes in the reaction zones of a laboratory gas generator have been studied. Based on generally accepted methods, the volume fractions of flammable components, as well as the …

Hydrodynamics Of Drops And Particles Driven By Marangoni And Diffusiophoretic Forces, Subramaniam Chembai Ganesh

Dissertations and Theses

This study investigates the hydrodynamics of particles and drops driven by forces generated by an asymmetrical physical and chemical surrounding environment. In the first part, a novel colloidal motor design driven by surface tension forces is proposed, utilizing an active Janus particle encapsulated in an immiscible liquid drop to form a compound drop/particle. Marangoni forces induced by asymmetric solute adsorption at the liquid-liquid interface of the drop propels the compound system. The propulsion speeds of the motor are analyzed for various relative sizes and configurations of the Janus particle and the encapsulating drop and the effects of varying the transport …

Microplate-Like Metal Pyrophosphate Engineered On Ni-Foam Towards Multifunctional Electrode Material For Energy Conversion And Storage, Rishabh Srivastava

Electronic Theses & Dissertations

High clean energy demand, dire need for sustainable development, and low carbon footprints are the few intuitive challenges, leading researchers to aim for research and development for high-performance energy devices. The development of materials used in energy devices is currently focused on enhancing the performance, electronic properties, and durability of devices. Tunning the attributes of transition metals using pyrophosphate (P₂O₇) ligand moieties can be a promising approach to meet the requirements of energy devices such as water electrolyzers and supercapacitors, although such a material’s configuration is rarely exposed for this purpose of study.

Herein, we grow …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods, Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Probing The Structure Of Water On Surfaces: From Water Absorption To Ice Nucleation, Jiarun Zhou

All Dissertations

Water, essential for all life forms, is the most abundant, simple, yet mysterious molecule in the world. This molecule, consisting of only three atoms, behaves in unexpectedly different ways with the change of environment. In the past, studies of water under different conditions (temperature, pressure, on the surfaces, with confinement) have been conducted using experimental and computational methods. However, the influence of a given environment on water properties is yet to be fully understood. This dissertation studies water at complex interfaces (surfaces with various chemistry and physics properties) in both the liquid and crystalline states. Various heterogeneous systems used to …

Advanced Process Modeling And Optimization Of Amine-Based Carbon Capture Process, Paul Jide Terhemba Akula

Graduate Theses, Dissertations, and Problem Reports (ETD)

With the rise of carbondioxide (CO2) concentration in the atmosphere to more than 400 parts per million (ppm), research efforts have been focused on achieving net-zero carbon emission technologies. Post-combustion CO2 capture (PCC) is a key strategy in reducing CO2 emissions. Amine-based CO2 capture is the baseline technology for retrofitting existing power stations. However, the integration of amine-based PCC technology with power plants to reduce greenhouse gas emissions incurs a high energy penalty, decreasing a powerplant’s efficiency by about 23 percentage points. Understanding the capture plant dynamics plays an important role in its technical and economic performance. Rigorous models are …

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 …

Graphical Design And Analysis Of Mass Exchange Networks Using Composition Driving Forces, Nessren Mohamed Farrag, Dina Ahmed Kamel, Ayat Ossama Ghallab, Mamdouh Ayad Gadalla, Mai Kamal Fouad

Chemical Engineering

Pinch analysis is a methodology for minimizing energy and mass consumption in different industries. It has been widely applied for more efficient processes. This study presents a new graphical-approach to analyze and design Mass Integration (MI) and exchange networks that follows Pinch principles to guarantee maximum mass recovery with minimum losses. This technique uses the composition driving forces in network representation as it rules the mass transfer between streams. The proposed approach can be applied on both existing mass networks as well as new ones. This graphical representation a visual descriptive design tool to describe and explain the details of …

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 …

Process Modeling And Techno-Economic Analysis Of Thermo-Catalytic Dimethyl Ether Synthesis And Microwave-Based Aromatics Production Technologies From Shale Gas, Chirag Mevawala

Graduate Theses, Dissertations, and Problem Reports (ETD)

Production of dimethyl ether (DME) and direct non-oxidative methane dehydroaromatization (DHA) to aromatics via conventional and microwave (MW)-assisted processes are investigated in this research. Plant-wide models of the shale gas to DME process with integrated CO₂ capture via direct and indirect synthesis routes have been developed. Optimal parameter estimation, and model validation are undertaken for various sections of the process including the pre-reforming reactor, auto-thermal reforming reactor, DME synthesis reactors, CO₂ capture units and separation sections. A novel DME separation process has been developed for efficient separation of DME, syngas, and CO₂. Plant-wide techno-economic optimization is …

Fabrication Of Polyvinylidene Fluoride Hollow Fiber Membranes For Membrane Distillation, Abdullah Al Balushi

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

Desalination technologies can help humanity tap into the most abundant source of water on earth, seawater; however, desalination is an energy-demanding process. Most of the desalination plants worldwide use conventional energy resources; therefore, desalination leaves a large carbon footprint. Solar energy is an available source of energy that can be harvested and integrated into desalination systems.

Membrane distillation (MD) is an emerging purification technology that many offers many advantages over traditional desalination systems. For starters, it can utilize low-grade thermal energy to drive the separation, therefore, it can be suitably integrated into the solar-thermal energy scheme. Additionally, MD can be …

Effects Of Hofmeister Ions On Transition Temperature Of Two Thermo-Responsive Polymers, Joshua Moser

Williams Honors College, Honors Research Projects

It was hypothesized that through the use of Hofmeister Ions, the lower critical solution temperature (LCST) of poly(vinyl methyl ether) (PVME) and poly(ethylene glycol)- poly(N-isopropylacrylamide) (PEG-b-pNIPAAm) block-copolymer could be controlled. Through literature searches and small lab experiments, our team found that there may be a connection between Hofmeister effects and phase transition of a thermo-responsive polymer. To try and prove this, the lab team decided to take four cations (Mg²⁺,Na⁺, Cs⁺, K⁺) in solution with the thermo-responsive polymers and compared their LCST to solutions of the thermo-responsive polymer in de-ionized …

Form Stable Phase-Change Materials, Russell Dent, Marjan Kashfipour, Nitin Mehra, Jiahua Zhu

Williams Honors College, Honors Research Projects

This work investigates the use of two different polyols, xylitol (Xyl) and erythritol (Ery), in conjunction with boron nitride (BN) aerogels, for the purpose of creating thermally conductive composites. While the BN filler in Xyl composites achieved a high anisotropic thermal conductivity of up to 4.53 W/m-K at 18.2 weight percent filler loading, they do not exhibit good phase-change material qualities due to a low solidification enthalpy even at low cooling rates. Alternatively, the BN-Ery composites have shown promising results with a solidification enthalpy of 225.14 J/g and a melting enthalpy of 385.84 J/g at a heat rate of 5 …

Effect Of Aerogel On The Thermal Performance Of Corrugated Composite Sandwich Structures, Jacob Dillon Chess

Master's Theses

Current insulation solutions across multiple industries, especially the commercial sector, can be bulky and ineffective when considering their volume. Aerogels are excellent insulators, exhibiting low thermal conductivities and low densities with a porosity of around 95%. Such characteristics make aerogels effective in decreasing conductive heat transfer within a solid. These requirements are crucial for aerospace and spaceflight applications, where sensitive components exist among extreme temperature environments. When implemented into insulation applications, aerogel can perform better than existing technology while using less material, which limits the amount of volume allocated for insulation. The application of these materials into composites can result …

Sulfate Removal From Mine Impacted Waters, Tyler Shock

Chemical Engineering Undergraduate Honors Theses

Woo Pig Sulfate (WPS) has developed two methods for reducing levels of calcium sulfate in mine impacted waters, a “hot process” and a two-stage nanofiltration process. Both processes were designed to treat gypsum saturated water that is currently being pumped via interceptor wells to prevent the spread of a sulfate plume into a nearby community. Each solution was designed for Freeport McMoran’s Sierrita mine in Green Valley, Arizona, which was visited in order to gain insight about the problem. Below 250 ppm on the treated stream, nanofiltration and the hot process achieve overall recoveries of 84 and 99%, respectively. The …

Removal Of Carbamazepine From Drinking Water, Zachary Wiese

Chemical Engineering Undergraduate Honors Theses

Due to the increasing prevalence of prescription medication over the past few

decades, pharmaceuticals have accumulated in various water sources. This has become a

public health concern because many pharmaceuticals have limited research on the effects

of chronic low-level exposure. According to the World’s Health Organization (WHO),

traces of pharmaceuticals products have been reported in different water sources such as

surface waters, wastewater, groundwater, and drinking water.[1] One pharmaceutical of

interest that has been detected in water sources is carbamazepine. Carbamazepine is a

common pharmaceutical prescribed for the treatment of seizure disorders, neuropathic

pain, and various psychological disorders. It’s mechanism …

Sulfate Removal From Mine Impacted Waters, Luis Sagarnaga

Chemical Engineering Undergraduate Honors Theses

Woo Pig Sulfate (WPS) has developed two methods for reducing levels of calcium sulfate in mine impacted waters, a “hot process” and a two-stage nanofiltration process. Both processes were designed to treat gypsum saturated water that is currently being pumped via interceptor wells to prevent the spread of a sulfate plume into a nearby community. Each solution was designed for Freeport McMoran’s Sierrita mine in Green Valley, Arizona, which was visited in order to gain insight about the problem. Below 250 ppm on the treated stream, nanofiltration and the hot process achieve overall recoveries of 84 and 99%, respectively. The …

Distillation Optimization In The Pharmaceutical Industry, Clayton Carter

Honors Theses

Distillations are commonly used throughout industry to perform separations by phase change. producing a liquid phase and vapor distillate. However. the process of distilling can be slow and energy intensive, providing a limitation in the production process. Possible improvements to current distillation systems were considered on the basis of thermal efficiency, material throughput (cycle time), and material tolerance. Consideration was given to ensure maintenance is straightforward and relatively quick, as fouling, contamination and tank utilization were concerns. Economic viability of the improvements was completed to determine the project benefit. The optimized design offers increased efficiency for production lines.

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 …

Economic And Sustainability Aspects Of Chemical Process Industries By Thermodynamics Analysis, Mahdi H. Alhajji

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

Economics and sustainability improvements of some chemical processes are assessed after the retrofits suggested by thermodynamic analysis and energy analyzer. The main objective is to explore the scope of reducing the energy consumption and CO₂ emissions for a more sustainable operation in chemical process industries. Thermodynamic analysis is carried out by applying the thermal analysis capability of ‘Column Targeting Tool’ to address the ‘energy intensity,’ and/or the ‘Energy Analyzer’ to design and improve the performance of the heat exchanger network system for process heat integration. CTT is based on the ‘Practical Near-Minimum Thermodynamic Condition’ representing a close to practical …

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 …