Chemical and Biomolecular Engineering Research Works

Permanent URI for this collectionhttp://hdl.handle.net/1903/1656

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Start date: 2020

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Now showing 1 - 10 of 26
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    COMSOL models for working-electrode/solid-electrolyte under mechanical loadings
    (2025) Jung, Taeho; Song, Yueming; Valentino, Gianna M; Albertus, Paul
    The attached COMSOL models simulate the mechanical state of a working-electrode/solid-electrolyte system under the following loading conditions. * Scenario I - working electrode under out-of-plane uniaxial compression * Scenario II - solid electrolyte under in-plane uniaxial compression * Scenario III - solid electrolyte under pure shear
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    COMSOL fracture model
    (2024-08-06) Jung, Taeho; Carmona, Eric A; Song, Yueming; Albertus, Paul
    Solid-electrolyte (SE) fracture initiation model at the lithium/SE interface during lithium plating.
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    Gradient Structural and Compositional Design of Conductive MXene Aerogels for Stable Zn Metal Anodes
    (Wiley, 2023-11-12) Li, Yang; Pang, Zhenqian; Ghani, Awais; Little, Joshua M.; Wang, Liping; Yang, Haochen; Zhao, Yusheng; Chen, Po-Yen
    Aqueous rechargeable zinc-ion batteries (ZIBs) are a safe and low-cost energy storage technology. However, practical ZIB exploitation faces critical challenges in achieving stable Zn metal anodes, which suffer from hydrogen evolution reaction (HER) corrosion and Zn dendrite growth. To address these challenges, a Zn2+-induced assembly process to fabricate Ti3C2Tx MXene-reduced graphene oxide aerogels with ZnO crust layers on Zn plates (abbreviated as ZnO/MG aerogel–Zn) that serve as stable Zn metal anodes is reported. By applying a constant voltage to a Zn plate, Zn2+ is gradually released to ionically crosslink MG nanosheets. After spontaneous hydrolysis and freeze-drying, a crust layer composed of ZnO nanoparticles is in situ formed. Additionally, the gradient Zn−O/Zn−F profiles across the ZnO/MG aerogel can facilitate Zn2+ transport and collectively suppress HER, enabling fast electrochemical kinetics and dendrite-free Zn deposition. Symmetric cells with ZnO/MG aerogel–Zn electrodes present stable cycling for 1200 h at 10 mA cm−2, and full cells achieve long lifespans at high rates (>500 cycles at 1.0 A g−1). Combining the advantages of an insulating protective layer and a conductive structured host, the ZnO/MG aerogel–Zn electrode with gradient structures and compositions creates synergistic advances in stable Zn metal anodes.
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    Two-Dimensional Zeolite Materials: Structural and Acidity Properties
    (MDPI, 2020-04-12) Schulman, Emily; Wu, Wei; Liu, Dongxia
    Zeolites are generally defined as three-dimensional (3D) crystalline microporous aluminosilicates in which silicon (Si4+) and aluminum (Al3+) are coordinated tetrahedrally with oxygen to form large negative lattices and consequent Brønsted acidity. Two-dimensional (2D) zeolite nanosheets with single-unit-cell or near single-unit-cell thickness (~2–3 nm) represent an emerging type of zeolite material. The extremely thin slices of crystals in 2D zeolites produce high external surface areas (up to 50% of total surface area compared to ~2% in micron-sized 3D zeolite) and expose most of their active sites on external surfaces, enabling beneficial effects for the adsorption and reaction performance for processing bulky molecules. This review summarizes the structural properties of 2D layered precursors and 2D zeolite derivatives, as well as the acidity properties of 2D zeolite derivative structures, especially in connection to their 3D conventional zeolite analogues’ structural and compositional properties. The timeline of the synthesis and recognition of 2D zeolites, as well as the structure and composition properties of each 2D zeolite, are discussed initially. The qualitative and quantitative measurements on the acid site type, strength, and accessibility of 2D zeolites are then presented. Future research and development directions to advance understanding of 2D zeolite materials are also discussed.
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    Motion of an Elastic Capsule in a Trapezoidal Microchannel under Stokes Flow Conditions
    (MDPI, 2020-05-17) Koolivand, Abdollah; Dimitrakopoulos, Panagiotis
    Even though the research interest in the last decades has been mainly focused on the capsule dynamics in cylindrical or rectangular ducts, channels with asymmetric cross-sections may also be desirable especially for capsule migration and sorting. Therefore, in the present study we investigate computationally the motion of an elastic spherical capsule in an isosceles trapezoidal microchannel at low and moderate flow rates under the Stokes regime. The steady-state capsule location is quite close to the location where the single-phase velocity of the surrounding fluid is maximized. Owing to the asymmetry of the trapezoidal channel, the capsule’s steady-state shape is asymmetric while its membrane slowly tank-treads. In addition, our investigation reveals that tall trapezoidal channels with low base ratios produce significant off-center migration for large capsules compared to that for smaller capsules for a given channel length. Thus, we propose a microdevice for the sorting of artificial and physiological capsules based on their size, by utilizing tall trapezoidal microchannels with low base ratios. The proposed sorting microdevice can be readily produced via glass fabrication or as a microfluidic device via micromilling, while the required flow conditions do not cause membrane rupture.
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    Effects of Protein Unfolding on Aggregation and Gelation in Lysozyme Solutions
    (MDPI, 2020-09-02) Nikfarjam, Shakiba; Jouravleva, Elena V.; Anisimov, Mikhail A.; Woehl, Taylor J.
    In this work, we investigate the role of folding/unfolding equilibrium in protein aggregation and formation of a gel network. Near the neutral pH and at a low buffer ionic strength, the formation of the gel network around unfolding conditions prevents investigations of protein aggregation. In this study, by deploying the fact that in lysozyme solutions the time of folding/unfolding is much shorter than the characteristic time of gelation, we have prevented gelation by rapidly heating the solution up to the unfolding temperature (~80 °C) for a short time (~30 min.) followed by fast cooling to the room temperature. Dynamic light scattering measurements show that if the gelation is prevented, nanosized irreversible aggregates (about 10–15 nm radius) form over a time scale of 10 days. These small aggregates persist and aggregate further into larger aggregates over several weeks. If gelation is not prevented, the nanosized aggregates become the building blocks for the gel network and define its mesh length scale. These results support our previously published conclusion on the nature of mesoscopic aggregates commonly observed in solutions of lysozyme, namely that aggregates do not form from lysozyme monomers in their native folded state. Only with the emergence of a small fraction of unfolded proteins molecules will the aggregates start to appear and grow.
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    Capsule Migration and Deformation in a Converging Micro-Capillary
    (MDPI, 2021-03-03) Wang, Yiyang; Dimitrakopoulos, Panagiotis
    The lateral migration of elastic capsules towards a microchannel centerline plays a major role in industrial and physiological processes. Via our computational investigation, we show that a constriction connecting two straight microchannels facilitates the lateral capsule migration considerably, which is relatively slow in straight channels. Our work reveals that the significant cross-streamline migration inside the constriction is dominated by the strong hydrodynamic forces due to the capsule size. However, in the downstream straight channel, the increased interfacial deformation at higher capillary numbers or a lower viscosity ratio and lower membrane hardness results in increased lateral cross-streamline migration. Thus, our work highlights the different migration mechanisms occurring over curved and straight streamlines.
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    Effect of Carbon Chain Length, Ionic Strength, and pH on the In Vitro Release Kinetics of Cationic Drugs from Fatty-Acid-Loaded Contact Lenses
    (MDPI, 2021-07-10) Torres-Luna, Cesar; Hu, Naiping; Domszy, Roman; Fan, Xin; Yang, Jeff; Briber, Robert M.; Wang, Nam Sun; Yang, Arthur
    This paper explores the use of fatty acids in silicone hydrogel contact lenses for extending the release duration of cationic drugs. Drug release kinetics was dependent on the carbon chain length of the fatty acid loaded in the lens, with 12-, 14- and 18-carbon chain length fatty acids increasing the uptake and the release duration of ketotifen fumarate (KTF) and tetracaine hydrochloride (THCL). Drug release kinetics from oleic acid-loaded lenses was evaluated in phosphate buffer saline (PBS) at different ionic strengths (I = 167, 500, 1665 mM); the release duration of KTF and THCL was decreased with increasing ionic strength of the release medium. Furthermore, the release of KTF and THCL in deionized water did not show a burst and was significantly slower compared to that in PBS. The release kinetics of KTF and THCL was significantly faster when the pH of the release medium was decreased from 7.4 towards 5.5 because of the decrease in the relative amounts of oleate anions in the lens mostly populated at the polymer–pore interfaces. The use of boundary charges at the polymer–pore interfaces of a contact lens to enhance drug partition and extend its release is further confirmed by loading cationic phytosphingosine in contact lenses to attract an anionic drug.
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    Stretchable and Compliant Sensing of Strain, Pressure and Vibration of Soft Deformable Structures
    (MDPI, 2022-12-06) Yao, Darren Zi Hian; Cai, Catherine Jiayi; Chen, Po-Yen; Ren, Hongliang
    Soft robotic and medical devices will greatly benefit from stretchable and compliant pressure sensors that can detect deformation and contact forces for control and task safety. In addition to traditional 2D buckling via planar substrates, 3D buckling via curved substrates has emerged as an alternative approach to generate tunable and highly convoluted hierarchical wrinkle morphologies. Such wrinkles may provide advantages in pressure sensing, such as increased sensitivity, ultra-stretchability, and detecting changing curvatures. In this work, we fabricated stretchable sensors using wrinkled MXene electrodes obtained from 3D buckling. We then characterized the sensors’ performance in detecting strain, pressure, and vibrations. The fabricated wrinkled MXene electrode exhibited high stretchability of up to 250% and has a strain sensitivity of 0.1 between 0 and 80%. The fabricated bilayer MXene pressure sensor exhibited a pressure sensitivity of 0.935 kPa−1 and 0.188 kPa−1 at the lower (<0.25 kPa) and higher-pressure regimes (0.25 kPa–2.0 kPa), respectively. The recovery and response timing of the wrinkled MXene pressure sensor was found to be 250 ms and 400 ms, respectively. The sensor was also capable of detecting changing curvatures upon mounting onto an inflating balloon.
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    Examining the Electrochemical Properties of Hybrid Aqueous/Ionic Liquid Solid Polymer Electrolytes through the Lens of Composition-Function Relationships
    (Wiley, 2023-07-04) Ludwig, Kyle B.; Correll-Brown, Riordan; Freidlin, Max; Garaga, Mounesha N.; Bhattacharyya, Sahana; Gonzales, Patricia M.; Cresce, Arthur V.; Greenbaum, Steven; Wang, Chunsheng; Kofinas, Peter
    Solid polymer electrolytes (SPEs) have the potential to meet evolving Li-ion battery demands, but for these electrolytes to satisfy growing power and energy density requirements, both transport properties and electrochemical stability must be improved. Unfortunately, improvement in one of these properties often comes at the expense of the other. To this end, a “hybrid aqueous/ionic liquid” SPE (HAILSPE) which incorporates triethylsulfonium-TFSI (S2,2,2) or N-methyl-N-propylpyrrolidinium-TFSI (Pyr1,3) ionic liquid (IL) alongside H2O and LiTFSI salt to simultaneously improve transport and electrochemical stability is studied. This work focuses on the impact of HAILSPE composition on electrochemical performance. Analysis shows that an increase in LiTFSI content results in decreased ionic mobility, while increasing IL and water content can offset its impact. pfg-NMR results reveal that preferential lithium-ion transport is present in HAILSPE systems. Higher IL concentrations are correlated with an increased degree of passivation against H2O reduction. Compared to the Pyr1,3 systems, the S2,2,2 systems exhibit a stronger degree of passivation due to the formation of a multicomponent interphase layer, including LiF, Li2CO3, Li2S, and Li3N. The results herein demonstrate the superior electrochemical stability of the S2,2,2 systems compared to Pyr1,3 and provide a path toward further enhancement of HAILSPE performance via composition optimization.