Chemical Engineering Commons^™

Impact Of Spallation And Internal Radiation On Fibrous Ablative Materials, Raghava Sai Chaitanya Davuluri

Theses and Dissertations--Mechanical Engineering

Space vehicles are equipped with Thermal Protection Systems (TPS) that encounter high heat rates and protect the payload while entering a planetary atmosphere. For most missions that interest NASA, ablative materials are used as TPS. These materials undergo several mass and energy transfer mechanisms to absorb intense heat. The size and construction of the TPS are based on the composition of the planetary atmosphere and the impact of various ablative mechanisms on the flow field and the material. Therefore, it is essential to quantify the rates of different ablative phenomena to model TPS accurately. In this work, the impact of …

Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen

Theses and Dissertations--Chemical and Materials Engineering

The sustainable development of society needs sustainable energy solutions and the mitigation of greenhouse gas emissions. One key subject in this area is the development of safe and efficient ion-based batteries. Moreover, CO₂ capture is a crucial pathway in mitigating emissions from the combustion of fossil fuels. Ongoing efforts are to improve both technologies' safety and efficiency. This thesis presents our efforts to conduct computational research on understanding advanced zwitterionic electrolytes and CO₂ capture. Chapters 2-4 illustrate the computational research to understand ionic solvation in zwitterionic electrolytes. Solid-state electrolytes are essential for safer batteries. While solid polymer electrolytes …

Effects Of Confinement On Ionic Liquids And Deep Eutectic Solvents For The Design Of Catalytic Systems, Electrochemical Devices, And Separations, Andrew Drake

Theses and Dissertations--Chemical and Materials Engineering

Confinement of ionic liquids (ILs) and deep eutectic solvents (DESs) within mesoporous materials such as silica helps to control the local environment within the pores for applications such as catalysis, electrochemistry, and absorption. Silica thin films with 2.5 and 8 nm pores and micron-sized silica particles with pore diameters of 5.4 and 9 nm were synthesized to study the effect of nanoconfinement on ILs 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF₆]), 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]), and DESs reline and ethaline (choline chloride and urea or ethylene glycol). Silica thin films with vertically aligned, well ordered, and accessible pores were synthesized via the evaporation-induced …

Scale Modeling Of An Appearance Of Downwash Pattern Of Hot Smoke Ejected From Chimney In The Turbulent Cross Flow, Xangpheuak Inthavideth, Nobumasa Sekishita, Sounthisack Phommachanh, Yuji Nakamura

Progress in Scale Modeling, an International Journal

This study aims to elucidate the scaling law to provide the critical condition on appearance of the downwash pattern of the hot smoke ejected from a chimney in a turbulent cross flow. A specially designed wind tunnel with an active turbulence generator developed by Makita was adopted to offer a quasi-isotropic turbulence field in a lab-scale test facility. A heated jet with smoke is issued into the cross flow from the vertically oriented chimney placed in the test section of the wind tunnel. In this study, the experimental parameters considered are temperature of the heated jet (smoke), jet ejected velocity, …

Numerical Investigation On The Effect Of Spectral Radiative Heat Transfer Within An Ablative Material, Raghava S. C. Davuluri, Rui Fu, Kaveh A. Tagavi, Alexandre Martin

Mechanical Engineering Faculty Publications

The spectral radiative heat flux could impact the material response. In order to evaluate it, a coupling scheme between KATS - MR and P1 approximation model of radiation transfer equation (RTE) is constructed and used. A Band model is developed that divides the spectral domain into small bands of unequal widths. Two verification studies are conducted: one by comparing the simulation computed by the Band model with pure conduction results and the other by comparing with similar models of RTE. The comparative results from the verification studies indicate that the Band model is computationally efficient and can be used to …

Fully Coupled Internal Radiative Heat Transfer For The 3d Material Response Of Heat Shield, Raghava S. C. Davuluri, Rui Fu, Kaveh A. Tagavi, Alexandre Martin

Mechanical Engineering Faculty Publications

The radiative transfer equation (RTE) is strongly coupled to the material response code KATS. A P-1 approximation model of RTE is used to account for radiation heat transfer within the material. First, the verification of the RTE model is performed by comparing the numerical and analytical solutions. Next, the coupling scheme is validated by comparing the temperature profiles of pure conduction and conduction coupled with radiative emission. The validation study is conducted on Marschall et al. cases (radiant heating, arc-jet heating, and space shuttle entry), 3D Block, 2D IsoQ sample, and Stardust Return Capsule. The validation results agree well for …

Data-Driven Tools Guided By First-Principles For Scale Modeling, Sadegh Poozesh

Progress in Scale Modeling, an International Journal

For decades, traditional scale-modeling techniques have been relying on first-principles models (FPMs). FPMs have been used to find non-dimensional numbers (PIs) and identify normalized underlying forces and energies behind the phenomenon in focus. The two main challenges with FPM-based PIs extraction are finding the relevant PIs and proper correlations between PIs. The emergence and surge of data-driven modeling (DDM) provide a new opportunity to leverage experimental data in model development across scales/plants. In this paper, first, the two mentioned issues in PIs development will be elaborated to reveal the gap, and second, a new insight into scale modeling and similarity …

Understanding Absorption, Supersaturation, And Drug Activity In Solution: Working Towards Developing A More Biorelevant Media, Freddy Arce

Theses and Dissertations--Pharmacy

With the looming dominance of poorly water-soluble chemical entities within the pharmaceutical pipeline, the pharmaceutical industry has leaned on the use of supersaturating drug delivery systems (SDDSs) to achieve efficacious concentrations within the gastrointestinal fluids. SDDSs aim to achieve concentrations in solutions greater than the solubility of the lowest energy crystalline form. However, the generation of supersaturated solutions of active pharmaceutical ingredients (APIs) creates a strong crystallization potential, which is undesirable.

In product development, supersaturating products often fail in Phase I and Phase II clinical trials due to poor oral bioavailability and a lack of in vivo efficacy. Pre-clinical testing …

Extraction Of Micro- And Nano-Plastic Particles From Water Using Hydrophobic Natural Deep Eutectic Solvents, Jameson R. Hunter

Theses and Dissertations--Biosystems and Agricultural Engineering

The production of plastic and the amount of waste plastic that enters the environment increases every year. Synthetic polymers will gradually break down into particles on the micro- and nano-scale. The micro- and nano-plastics pose a significant ecological harm by transporting toxic chemicals and causing inflammation and cellular damage when ingested. Two common plastics are polyethylene terephthalate (PET) and Polystyrene (PS), and a newer bioplastic polylactic acid (PLA) that has become a popular alternative. Deep eutectic solvents are a recently discovered solvent composed of a hydrogen bond donor and hydrogen bond acceptor and have been proposed as a cheaper alternative …

Synthesis, Functionalization, And Application Of Nanofiltration And Composite Membranes For Selective Separations, Andrew Steven Colburn

Theses and Dissertations--Chemical and Materials Engineering

Future nanofiltration (NF) membranes used for selective separations of ions and small organic molecules must maintain performance in environments where high concentrations of total dissolved solvents or foulants are present. These challenges can be addressed through the development of composite membranes, as well as the engineering of enhanced surface properties and operating conditions for existing commercial membranes.

In this work, ion transport through commercial thin film composite (TFC) polyamide NF membranes were studied in both lab-prepared salt solutions and industrial wastewater. The dependence of several variables on ion rejection was investigated, including ion radius, ion charge, ionic strength, and temperature. …

Synthesis, Characterization And Applications Of Reduced Graphene Oxide And Composite Membranes For Selective Separations And Removal Of Organic Contaminants, Ashish Aher

Theses and Dissertations--Chemical and Materials Engineering

Among the next generation materials being investigated for membrane development, partially reduced Graphene Oxide (rGO) has received increasing attention from the membrane community. rGO-based nanofiltration membranes have shown promising results in applications such as partial desalination, organic contaminant removal, gas-phase separations, and separations from solvent media. rGO offers a unique platform compared to common polymeric membranes since it can be used for separation applications in both aqueous and organic solvent media. An rGO-based platform could also be utilized to synthesize reactive membranes, giving rGO membranes the additional capability of reactively removing organic contaminants. This research focuses on the synthesis of …

Design Process For The Containment And Manipulation Of Liquids In Microgravity, Chris Meek

Theses and Dissertations--Mechanical Engineering

In order to enhance accessibility to microgravity research, the design process for experiments on the ISS must be streamlined and accessible to all scientific disciplines, not just aerospace engineers. Thus, a general design and analysis toolbox with accompanying best practices manual for microgravity liquid containment is proposed. The work presented in this thesis improves the design process by introducing a modular liquid tank design which can be filled, drained, or act as a passive liquid-gas separation device. It can also be pressurized, and used for aerosol spray. This tank can be modified to meet the design requirements of various experimental …

Characterization Of Rotary Bell Atomizers Through Image Analysis Techniques, Jacob E. Wilson

Theses and Dissertations--Mechanical Engineering

Three methods were developed to better understand and characterize the near-field dynamic processes of rotary bell atomization. The methods were developed with the goal of possible integration into industry to identify equipment changes through changes in the primary atomization of the bell. The first technique utilized high-speed imaging to capture qualitative ligament breakup and, in combination with a developed image processing technique and PIV software, was able to gain statistical size and velocity information about both ligaments and droplets in the image data. A second technique, using an Nd:YAG laser with an optical filter, was used to capture size statistics …

Pore-Confined Carriers And Biomolecules In Mesoporous Silica For Biomimetic Separation And Targeting, Shanshan Zhou

Theses and Dissertations--Chemical and Materials Engineering

Selectively permeable biological membranes composed of lipophilic barriers inspire the design of biomimetic carrier-mediated membranes for aqueous solute separation. This work imparts selective permeability to lipid-filled pores of silica thin film composite membranes using carrier molecules that reside in the lipophilic self-assemblies. The lipids confined inside the pores of silica are proven to be a more effective barrier than bilayers formed on the porous surface through vesicle fusion, which is critical for quantifying the function of an immobilized carrier. The ability of a lipophilic carrier embedded in the lipid bilayer to reversibly bind the target solute and transport it through …

Effect Of Spalled Particles Thermal Degradation On A Hypersonic Flow Field Environment, Raghava S. C. Davuluri, Huaibao Zhang, Alexandre Martin

Mechanical Engineering Faculty Publications

Two-way coupling is performed between a spallation code and a hypersonic aerothermodynamics CFD solver to evaluate the effect of spalled particles on the flow field. Time accurate solutions are computed in argon and air flow fields. A single particle simulations and multiple particles simulations are performed and studied. The results show that the carbon vapor released by spalled particles tend to change the composition of the flow field, particularly the upstream region of the shock.

Quantification Of Factors Governing Drug Release Kinetics From Nanoparticles: A Combined Experimental And Mechanistic Modeling Approach, Kyle Daniel Fugit

Theses and Dissertations--Pharmacy

Advancements in nanoparticle drug delivery of anticancer agents require mathematical models capable of predicting in vivo formulation performance from in vitro characterization studies. Such models must identify and incorporate the physicochemical properties of the therapeutic agent and nanoparticle driving in vivo drug release. This work identifies these factors for two nanoparticle formulations of anticancer agents using an approach which develops mechanistic mathematical models in conjunction with experimental studies.

A non-sink ultrafiltration method was developed to monitor liposomal release kinetics of the anticancer agent topotecan. Mathematical modeling allowed simultaneous determination of drug permeability and interfacial binding to the bilayer from release …

Nanofiltration Membranes From Oriented Mesoporous Silica Thin Films, Mary K. Wooten

Theses and Dissertations--Chemical and Materials Engineering

The synthesis of mesoporous silica thin films using surfactant templating typically leads to an inaccessible pore orientation, making these films not suitable for membrane applications. Recent advances in thin film synthesis provide for the alignment of hexagonal pores in a direction orthogonal to the surface when templated on chemically neutral surfaces. In this work, orthogonal thin film silica membranes are synthesized on alumina supports using block copolymer poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) (P123) as the template. The orthogonal pore structure is achieved by sandwiching membranes between two chemically neutral surfaces, resulting in 90 nm thick films. Solvent flux of ethanol through …

Generation Of Multicomponent Polymer Blend Microparticles Using Droplet Evaporation Technique And Modeling Evaporation Of Binary Droplet Containing Non-Volatile Solute, Venkat N. Rajagopalan

Theses and Dissertations--Chemical and Materials Engineering

Recently, considerable attention has been focused on the generation of nano- and micrometer scale multicomponent polymer particles with specifically tailored mechanical, electrical and optical properties. As only a few polymer-polymer pairs are miscible, the set of multicomponent polymer systems achievable by conventional methods, such as melt blending, is severely limited in property ranges. Therefore, researchers have been evaluating synthesis methods that can arbitrarily blend immiscible solvent pairs, thus expanding the range of properties that are practical. The generation of blended microparticles by evaporating a co-solvent from aerosol droplets containing two dissolved immiscible polymers in solution seems likely to exhibit a …

Froth Flotation Performance Enhancement By Feed Cavitation And Magnetic Plastic Particle Addition, Mehmet Saracoglu

Theses and Dissertations--Mining Engineering

Froth flotation is the most commonly used process to recover and upgrade the portion of the coal preparation plant feed that has a particle size smaller than 150 microns. Problems that occur when employing froth flotation in the coal industry include i) coal surfaces that are weakly-to-moderately hydrophobic, and ii) flotation systems that are overloaded and limited by insufficient retention time.

Research was performed to evaluate techniques that could be implemented to improve flotation performance under the aforementioned scenarios. Pre-aeration of flotation feed using a cavitation system was extensively evaluated in laboratory and full-scale test programs. The benefits of adding …

The Critical Role Of Mechanism-Based Models For Understanding And Predicting Liposomal Drug Loading, Binding And Release Kinetics, Sweta Modi

Theses and Dissertations--Pharmacy

Liposomal delivery systems hold considerable promise for improvement of cancer therapy provided that critical formulation design criteria can be met. The main objective of the current project was to enable quality by design in the formulation of liposomal delivery systems by developing comprehensive, mechanism-based mathematical models of drug loading, binding and release kinetics that take into account not only the therapeutic requirement but the physicochemical properties of the drug, the bilayer membrane, and the intraliposomal microenvironment.

Membrane binding of the drug affects both drug loading and release from liposomes. The influence of bilayer composition and phase structure on the partitioning …