Chemical Engineering Commons^™

Surface Functionalized Magnetic Nanoparticles For Cancer Therapy Applications, Robert J. Wydra

Theses and Dissertations--Chemical and Materials Engineering

Despite recent advances, cancer remains the second leading cause of deaths in the United States. Magnetic nanoparticles have found various applications in cancer research as drug delivery platforms, enhanced contrast agents for improved diagnostic imaging, and the delivery of thermal energy as standalone therapy. Iron oxide nanoparticles absorb the energy from an alternating magnetic field and convert it into heat through Brownian and Neel relaxations. To better utilize magnetic nanoparticles for cancer therapy, surface functionalization is essential for such factors as decreasing cytotoxicity of healthy tissue, extending circulation time, specific targeting of cancer cells, and manage the controlled delivery of …

Biomimetic Oral Mucin From Polymer Micelle Networks, Sundar Prasanth Authimoolam

Theses and Dissertations--Chemical and Materials Engineering

Mucin networks are formed by the complexation of bottlebrush-like mucin glycoprotein with other small molecule glycoproteins. These glycoproteins create nanoscale strands that then arrange into a nanoporous mesh. These networks play an important role in ensuring surface hydration, lubricity and barrier protection. In order to understand the functional behavior in mucin networks, it is important to decouple their chemical and physical effects responsible for generating the fundamental property-function relationship. To achieve this goal, we propose to develop a synthetic biomimetic mucin using a layer-by-layer (LBL) deposition approach. In this work, a hierarchical 3-dimensional structures resembling natural mucin networks was generated …

Modeling Of Pollutant Adsorption On Novel Modified Biomass As A Means Of Seawater Decontamination, Dimitrios K. Sidiras, Fragiskos K. Batzias, Ioanna G. Siontorou, Ilias G. Konstantinou, Ioanna Salapa, Stavroula P. Zervopoulou

Biorefinery I: Chemicals and Materials From Thermo-Chemical Biomass Conversion and Related Processes

No abstract provided.

Transition States And Modeling For Co9s8/Mos2 Catalysis, Gabriel Angel Gonzalez

Open Access Theses & Dissertations

Transition state computational studies of the sulfur removal from dibenzothiophene (DBT) molecule have herein been performed considering the Co9S8/MoS2 interface existing on unsupported Co/MoS2 catalysts. The linear synchronous transit (LST) and quadratic synchronous transit (QST) methods integrated in a density functional theory (DFT) program such as Dmol3 were used for the calculations of energy barriers of the transition states. Three different configurations present on the Co9S8/MoS2 interface have been envisaged as possible catalytic sites: sulfur-sulfur (S, S) sites, and molybdenum-sulfur (Mo, S) and molybdenum-molybdenum (Mo, Mo) edge sites. This study revealed that the (Mo, Mo) edge site is the most …

Sustainable Disposal Of Coal Processing Waste Streams, Mohammad Rezaee

Theses and Dissertations--Mining Engineering

Modern coal preparation facilities incorporate a wide array of solid-solid and solid-liquid separation processes for rejecting mineral matter to meet market specifications. The coarse mineral matter is typically placed into engineered refuse piles whereas the fine refuse is either stored in impoundments or co-disposed with the coarse refuse. The discharge water from the refuse material represents an environmental concern due to the potential release of trace elements, and the subsequent elevation of total dissolved solids and conductivity. The research findings reported in this dissertation addresses sustainable coal processing waste disposal through using strategies aimed at minimizing the environmental impacts. To …

Investigating New Accident Causation, Risk Assessment, And Mitigation Strategy Selection Tools In The Petroleum Industry, Mohammad A. Alkazimi

Doctoral Dissertations

"The inherent complexity of the processes and the volatile nature of petroleum products compel the petroleum industry to continually seek and develop tools and techniques to identify, evaluate, and mitigate potential risks that can negatively impact their process operations. Additionally, government agencies and nonprofit professional societies guide the petroleum industry with regulatory guidelines, standards, and recommended best practices. The industry and these agencies and societies work to improve operational management, to ensure safe working conditions, and to minimize risk of all kinds, so that if failures occur, damage is contained within tolerable limits (Health and Safety Executives, 2013).

The currently …

Particle Gel Propagation And Blocking Behavior Through High Permeability Streaks And Fractures, Abdulmohsin Imqam

Doctoral Dissertations

Water channeling, one of the primary reservoir conformance problems, is caused by reservoir heterogeneities that lead to the development of high-permeability streaks and fractures. These streaks and fractures prevent large amounts of oil from being recovered. The ultimate objective of this research was to provide comprehensive insight into designing better particle gel treatments intended for use in large openings, including open fractures, high permeability streaks, and conduits to increase oil recovery and reduce water production.

An intensive laboratory study was conducted to better understand the injection and placement mechanisms of millimeter and micron size preformed particle gels (PPGs) through thief …

Process Design, Dynamics, And Techno-Economic Analysis Of A Sustainable Coal, Wind, And Small Modular Nuclear Reactor Hybrid Energy System, Kyle Lee Buchheit

Doctoral Dissertations

"The availability of cheap electricity is one of the biggest factors for improving quality of life. With the debate on the effects of carbon dioxide emissions continuing, several countries have either implemented or are considering the reduction of emissions through various economic means. The inclusion of a monetary penalty on carbon emissions would increase the prices of electricity produced by carbon-based sources. The push for large-scale renewable sources of energy has met problems with regards to energy storage and availability. The proposed coal, wind, and nuclear hybrid energy system would combine a renewable energy source, wind, with traditional and stable …

Analysis Of Production And Pressure Data To Characterize The Performance Of Oil And Gas Reservoirs, Abuagila Ramadan Elgmati

Doctoral Dissertations

"Production data analysis is an important tool for estimating important reservoir parameters. In particular, determining the average reservoir pressure (p_av) and tracking its change with time is critical to analyzing and optimizing reservoir performance. The traditional method for determining p_av involves pressure buildup tests. A direct method for estimating (p_av) from flowing pressures and rate data is available. However, the method is for an idealized case that assumes constant production rate during pseudo steady-state (PSS) flow, which is not generally true for real wells. This research extends that approach so that it can …

High Surface Area And Z′ In A Thermally Stable 8-Fold Polycatenated Hydrogen-Bonded Framework, Cassandra A. Zentner, Holden W.H. Lai, Joshua T. Greenfield, Ren A. Wiscons, Matthias Zeller, Charles F. Campana, Orhan Talu, Stephen A. Fitzgerald, Jesse L.C. Rowsell

Chemical & Biomedical Engineering Faculty Publications

1,3,5-Tris(4-carboxyphenyl)benzene assembles into an intricate 8-fold polycatenated assembly of (6,3) hexagonal nets formed through hydrogen bonds and π-stacking. One polymorph features 56 independent molecules in the asymmetric unit, the largest Z′ reported to date. The framework is permanently porous, with a BET surface area of 1095 m² g⁻¹ and readily adsorbs N₂, H₂ and CO₂.

Modeling, Optimization, And Sensitivity Analysis Of A Continuous Multi-Segment Crystallizer For Production Of Active Pharmaceutical Ingredients, Bradley James Ridder

Open Access Dissertations

We have investigated the simulation-based, steady-state optimization of a new type of crystallizer for the production of pharmaceuticals. The multi-segment, multi-addition plug-flow crystallizer (MSMA-PFC) offers better control over supersaturation in one dimension compared to a batch or stirred-tank crystallizer. Through use of a population balance framework, we have written the governing model equations of population balance and mass balance on the crystallizer segments. The solution of these equations was accomplished through either the method of moments or the finite volume method. The goal was to optimize the performance of the crystallizer with respect to certain quantities, such as maximizing the …

Structure-Activity Relationships For The Water-Gas Shift Reaction Over Supported Metal Catalysts, Kaiwalya D. Sabnis

Open Access Dissertations

The Water-Gas Shift (WGS) reaction (CO + H₂O → CO₂ + H₂) is an important chemical process for industrial hydrogen production. The overall goal of this project is to use kinetic experiments and in situ characterization techniques in tandem, in order to derive structure-activity relationships for various catalytic systems. These relationships facilitate the rational catalyst design by identification of catalyst descriptors. In order to establish such relationships, various studies were undertaken, such as (i) effect of transition admetals on the WGS catalysis by molybdenum carbide (ii) effect of residual oxygen content on the performance of …

Kesterite Thin-Film Solar Cell Absorbers Derived Using Inhomogeneous Czts Nanoparticles, Wei-Chang D. Yang

Open Access Dissertations

My doctoral research focuses on understanding the structure-property-processing relationship of the kesterite materials to improve their device performance. It is recognized in both my own work and the recent literature that the structural and compositional integrities of CZTSSe are crucial to derive the solar cell grade kesterite thin-films. Analytical electron microscopy (AEM) allows me to demonstrate the structural and compositional inhomogeneity of the CZTS nanoparticles and CZTSSe thin-films at the nanoscale. For example, the observed forbidden reflections in TED patterns and FFT diffractograms corresponding to HRTEM images indicate that cation disorder leads to stacking faults in CZTS nanoparticles. Probe-corrected STEM …

The Application And Accuracy Of Structure From Motion Computer Vision Models With Full-Scale Geotechnical Field Tests, L. Palmer, Kevin W. Franke, R. Abraham Martin, B. E. Sines, Kyle M. Rollins, John Hedengren

Faculty Publications

Structure from motion (SfM) computer vision is a relatively new technology that allows engineers to reconstruct a three-dimensional (3D) model of a given scene using twodimensional digital photographs captured from a single, moving camera. SfM computer vision provides an economic and user-friendly alternative to other 3D scene-capture and modeling tools such as light distance and ranging (LiDAR). Although the resolution and accuracy of laser-based modeling methods are generally superior to vision-based modeling methods, the economic advantages associated with the latter may make it a useful and practical alternative for many geotechnical engineering applications. Although other engineering disciplines have investigated the …

Modeling Light Gas And Tar Yields From Pyrolysis Of Green River Oil Shale Demineralized Kerogen Using The Chemical Percolation Devolatilization Model, Daniel Barfuss, Ronald J. Pugmire, Thomas H. Fletcher

Faculty Publications

Recent detailed chemical structure analyses of three demineralized kerogens from Green River oil shale samples were used to generate input parameters for the chemical percolation devolatilization (CPD) model. This model uses a lattice network to describe pyrolysis of solid hydrocarbons, such as coal and biomass. It was necessary to modify the formulation of the CPD model to account for the long aliphatic carbon chains found in oil shale, because gases formed from these long chains condense at room temperature and are counted as tar. It was initially assumed that 20% of the aliphatic material was released as light gas during …

Simulation Of The Swelling Of High-Volatile Bituminous Coal During Pyrolysis. Part 2: Influence Of The Maximum Particle Temperature, He Yang, Thomas H. Fletcher, Ming Dong

Faculty Publications

A model was established previously to predict the swelling ratio of high-volatile bituminous coal during pyrolysis based on the assumption that the structure of bubble distribution in the particle at the beginning of the plastic stage is a central bubble surrounded by many surrounding bubbles. The initial number and size of the bubbles when the particles become plastic are calculated by the pressure in the particle, and the chemical percolation devolatilization (CPD) model is used to describe pyrolysis. In this paper, to obtain accurate results at low pyrolysis temperatures, the previous model is improved and the following parts in the …

Synthetic Materials With Redox-Triggers For Imaging And Drug Delivery, Jungeun Bae

Electronic Theses and Dissertations

Synthetic materials embedded with stimuli-responsive cleavable bonds have been extensively utilized for the development of site-targeted drug delivery system and selective imaging reporters. We developed stimuli-sensitive materials with two different redox switches including trimethyl-locked quinone propionic acid and nitrobenzyl moieties. Novel redox-sensitive polymeric nanoparticles and micelles were prepared from a synthesized monomer containing trimethyl-locked quinone propionic acid as a redox trigger. A hydrophobic cancer drug, Paclitaxel, was incorporated into the redox-responsive polymeric nanoparticles and micelles prepared from the synthesize polymers. The effect of redox stress on the nanoparticles and micelles was evaluated with a chemical reductant, sodium dithionite demonstrating that …

Model Based Process Analysis And Tool Development For Sustainable Electroplating Operations, Navdeep Bhadbhade

Wayne State University Theses

The electroplating industry has faced tremendous challenges in maintaining its economic competitiveness as well as improving its environmental performance in the global economy. In electroplating systems, waste generation from manufacturing lines has been always a serious concern, as waste emitted in different forms contains various hazardous and toxic chemicals. It is recognized that much of the generated waste is avoidable, and reduction of such avoidable waste could significantly reduce the consumption of chemicals, energy, and water. Proactive source reduction can improve not only environmental quality, but also economic performance. This type of source reduction, which could be called Proactive Pollution …

Temporally And Spatially Resolved Plasma Spectroscopy In Pulsed Laser Deposition Of Ultra-Thin Boron Nitride Films, Nicholas R. Glavin, Christopher Muratore, Michael L. Jespersen, Jianjun Hu, Timothy S. Fisher, Andrey A. Voevodin

Chemical and Materials Engineering Faculty Publications

Physical vapor deposition (PVD) has recently been investigated as a viable, alternative growth technique for two-dimensional materials with multiple benefits over other vapor deposition synthesis methods. The high kinetic energies and chemical reactivities of the condensing species formed from PVD processes can facilitate growth over large areas and at reduced substrate temperatures. In this study, chemistry, kinetic energies, time of flight data, and spatial distributions within a PVD plasma plume ablated from aboron nitride (BN) target by a KrF laser at different pressures of nitrogen gas were investigated. Time resolved spectroscopy and wavelength specific imaging were used to identify and …

การดัดแปรและการนำไปใช้ของซิลิกาที่ได้จากดินไดอะตอมไมท์ธรรมชาติ, จิราภา ไกรสิทธิ์

Chulalongkorn University Theses and Dissertations (Chula ETD)

งานวิจัยนี้เป็นการปรับปรุงคุณภาพไดอะตอมไมท์ธรรมชาติ ในแหล่งอำเภอแม่ทะ จังหวัดลำปาง ด้วยกระบวนการทางความร้อนและทางเคมี โดยแปรผันปัจจัยต่างๆ จากนั้นทำการสลับลำดับกระบวนการ พบว่า ไดอะตอมไมท์ธรรมชาติมีโครงสร้างทรงกระบอก ผนังมีรุพรุนโดยรอบ องค์ประกอบหลักคือ ซิลิการ้อยละ 70.7 โดยน้ำหนัก และสิ่งปนเปื้อนอื่นสูง คือ อะลูมินาร้อยละ 14.7 โดยน้ำหนัก เหล็กออกไซด์ร้อยละ 5.76 โดยน้ำหนัก และสารอินทรีย์ จากนั้นทำการปรับปรุงคุณภาพไดอะตอมไมท์ด้วยความร้อน พบว่าการเผาที่ 700 °C เวลา 3 ชั่วโมง กำจัดสารอินทรีย์ได้ดี ยังคงโครงสร้างชัดเจน ถัดมาเป็นการปรับปรุงคุณภาพทางเคมีด้วยการชะละลายไดอะตอมไมท์ พบว่าชะละลายด้วยกรดไฮโดรคลอริกที่ความเข้มข้น 10 โมลาร์ อุณหภูมิ 100 °C เป็นเวลา 24 ชั่วโมง สามารถกำจัดสิ่งปนเปื้อนหลักได้ดี ต่อมาสลับลำดับกระบวนการ พบว่าการเผาและตามด้วยการชะละลายด้วยกรดไฮโดรคลอริกให้ไดอะตอมไมท์ที่มีความบริสุทธิ์สูงสุด และมีคุณภาพใกล้เคียงไดอะตอมไมท์จากประเทศต่างๆและทางการค้า จากนั้นนำไดอะตอมไมท์ดัดแปรไปใช้เป็นแหล่งซิลิกาเพื่อสังเคราะห์วัสดุซิลิกาเมโซพอร์ MCM41 และ SBA15 ด้วยกระบวนการโซลเจล พบว่าวัสดุ MCM41 จากไดอะตอมไมท์ มีพื้นที่ผิว 701.70 m2/g ปริมาตรรูพรุน 0.48 cm3/g และ ขนาดรูพรุน 2.77 nm ลักษณะโครงสร้างเป็นอนุภาคทรงกลม ส่วนวัสดุ SBA15/DE จากไดอะตอมไมท์ มีพื้นที่ผิว 705.48 m2/g ปริมาตรรูพรุน 0.58 cm3/g และ ขนาดรูพรุน 5.53 nm ลักษณะโครงสร้างเป็นเส้นชือกในแนวยาว มีการกระจายตัวของขนาดรูพรุนในช่วงแคบ โครงสร้างผลึกเป็นแบบเฮกซะโกนอล ถัดมาปรับปรุงพื้นผิววัสดุทั้งสองด้วยสารก่อฟังก์ชั่นเอพีทีเอส (3-อะมิโนโพรพิลไตรเอทอกซีไซเลน) เพื่อให้มีคุณสมบัติพื้นผิวที่ดี จากนั้นนำวัสดุสังเคราะห์ SBA15 ทดสอบเป็นตัวดูดซับโลหะคอปเปอร์ พบว่าเพิ่มความเข้มข้นเริ่มต้น ความสามารถในการดูดซับเพิ่มขึ้น ไอโซเทอมการดูดซับสอดคล้องทั้งสมการแลงเมียร์และฟรุนดิช ซึ่งปริมาณสูงสุดการดูดซับเท่ากับ 26.3168 mg/g ส่วนวัสดุสังเคราะห์ MCM41 นำมาใช้เป็นวัสดุนำส่งยาไอบูโพรเฟน พบว่าปลดปล่อยสูงในช่วงแรกและช้าอย่างต่อเนื่อง จนกระทั่งคงที่ ซึ่งจลนศาสตร์ของการปลดปล่อยสอดคล้องกับสมการ Korsmeyer-peppas ในรูปแบบไม่เป็นไปตามกฎการแพร่ของฟิค(Non-Fickian …