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Articles 1 - 19 of 19
Full-Text Articles in Nanoscience and Nanotechnology
Experimental And Simulation Study Of Reactive Silver Ink Droplet Evaporation, Weipeng Zhang
Experimental And Simulation Study Of Reactive Silver Ink Droplet Evaporation, Weipeng Zhang
Electronic Thesis and Dissertation Repository
The evaporation of particle-free silver ink droplets on heated substrates directly impacts the morphology of the resultant silver particles and films. In this thesis, COMSOL Multiphysics simulations of the solvent (water-ethylene glycol mixture) droplet evaporation process are used to explain the microflows, mass transfers, and heat distribution responsible for the experimental observations. The reactive ink incorporates fluoro-surfactant FS-31 and poly (acrylamide) (PAM) to suppress the coffee-ring effect that negatively impacts the electrical conductivity. Experiments show that the droplet evaporation process results in varied silver particle morphology, depending on the locations within the droplet, leading to uneven surfaces. Large particles (3 …
Non-Equilibrium Colloidal Phenomena In Magnetic Fields And Photoillumination: From Controlling Living Microbots To Understanding Microplastics, Ahmed Al Harraq
Non-Equilibrium Colloidal Phenomena In Magnetic Fields And Photoillumination: From Controlling Living Microbots To Understanding Microplastics, Ahmed Al Harraq
LSU Doctoral Dissertations
Colloids are a ubiquitous class of materials composed of microscopic particles suspended in a continuous phase which are found in everyday products and in nature. Colloids are also useful models for studying the spontaneous arrangement of matter from individual building blocks to mesophases. Standard treatment of colloid science is based on the assumption of equilibrium conditions, as defined in traditional thermodynamics. However, novel assembly mechanisms and motility are unlocked by pushing colloids away from equilibrium using external energy. In addition, many colloids in nature and in industrial applications exchange energy and mass with the surrounding environment thus behaving in a …
Coarse-Grained Dynamically Accurate Simulations Of Ionic Liquids At Vacuum-Interface, Tyler D. Stoffel
Coarse-Grained Dynamically Accurate Simulations Of Ionic Liquids At Vacuum-Interface, Tyler D. Stoffel
Theses and Dissertations--Mechanical Engineering
Ionic liquids, possessing improved properties in many areas of technical application, are excellent candidates as components in development of next-generation technology, including ultra-high energy batteries. If they are thus applied, however, extensive interfacial analysis of any selected ionic configuration will likely be required. Molecular dynamics (MD) provides an advantageous route by which this may be accomplished, but can fall short in observing some phenomena only present at larger time/length scales than it can simulate. Often times this is approached by coarse-graining (CG), with which scope of simulation can be significantly increased. However, coarse-grained MD systems are generally known to produce …
Rheological Investigations Of Self-Assembled Block Copolymer Nanocomposites With Complex Architectures, Benjamin Yavitt
Rheological Investigations Of Self-Assembled Block Copolymer Nanocomposites With Complex Architectures, Benjamin Yavitt
Doctoral Dissertations
The self-assembly of block copolymers (BCP) into microphase separated structures is an attractive route to template and assemble functional nanoparticles (NP) into highly ordered nanocomposites and is central to the “bottom up” fabrication of future materials with tunable electronic, optical, magnetic, and mechanical properties. The optimization of the co-assembly requires an understanding of the fundamentals of phase behavior, intermolecular interactions and dynamics of the polymeric structure. Rheology is a novel characterization tool to investigate these processes in such systems that are not accessible by other means. With the combination of X-ray scattering techniques, structure-property relationships are determined as a function …
Mobility Of Nano-Particles In Rock Based Micro-Models, Jagannath Upadhyay
Mobility Of Nano-Particles In Rock Based Micro-Models, Jagannath Upadhyay
LSU Doctoral Dissertations
A confocal micro-particle image velocimetry (C-μPIV) technique along with associated post-processing algorithms is detailed for obtaining three dimensional distributions of nano-particle velocity and concentrations at select locations of the 2.5D (pseudo 3D) Poly(methyl methacrylate) (PMMA) and ceramic micro-model. The designed and fabricated 2.5D micro-model incorporates microchannel networks with 3D wall structures with one at observation wall which resembles fourteen morphological and flow parameters to those of fully 3D actual reservoir rock (Boise Sandstone) at resolutions of 5 and 10 μm in depth and 5 and 25 μm on plane. In addition, an in-situ, non-destructive method for measuring the geometry of …
The Rheology And Roll-To-Roll Processing Of Shear-Thickening Particle Dispersions, Sunilkumar Khandavalli
The Rheology And Roll-To-Roll Processing Of Shear-Thickening Particle Dispersions, Sunilkumar Khandavalli
Doctoral Dissertations
Particle dispersions are ubiquitous in our daily lives ranging from food and pharmaceutical products to inks. There has been great interest in the recent years in formulation of functional inks to fabricate myriad flexible electronic devices through high-throughput roll-to-roll technologies. The formulations often contain several functional additives or rheological modifiers that can affect the microstructure, rheology and processing. Understanding the rheology of formulations is important for tuning the formulation for optimal processing. This thesis presents investigations on the rheology of particle dispersions and their impact on roll-to-roll technologies. Shear-thickening behavior is common in particle dispersions, particularly, concentrated particulate inks. We …
Ion Size Effects On The Properties Of Charge Regulating Electric Double Layers, Divya Jyoti Prakash
Ion Size Effects On The Properties Of Charge Regulating Electric Double Layers, Divya Jyoti Prakash
Nanoscience and Microsystems ETDs
The behavior of charged interfaces formed in various systems like colloidal solution, fuel cells, battery, electro-deposition, catalysis is governed by the properties of electrical double layer(EDL). Civilized model with charge regulation boundary condition determined by thermodynamic equilibrium at the interface has been used to model electrical double layer and shows that size of the solvent plays a critical role in characterizing the properties of EDL using classical density functional theory.This thesis investigates the impact of ion size in electrolyte solutions on the electrical double layer formed at the interface using a similar model. It is found that ion size greatly …
Mild Yet Phase-Selective Preparation Of Tio2 Nanoparticles From Ionic Liquids – A Critical Study, Tarek Alammar, Heshmat Noei, Yuemin Wang, Anja V. Mudring
Mild Yet Phase-Selective Preparation Of Tio2 Nanoparticles From Ionic Liquids – A Critical Study, Tarek Alammar, Heshmat Noei, Yuemin Wang, Anja V. Mudring
Anja V. Mudring
The phase selective synthesis of nanocrystalline TiO2, titania, in ionic liquids (ILs) is explored. The influence not only of the IL but also of the Ti-precursor, pH, and temperature is investigated. Sonochemical synthesis, microwave synthesis and conventional heating are compared. In the case of Ti(OiPr)4 (OiPr ¼ isopropyl) as the Ti-source the ILs [C4mim][Tf2N] (1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide), [C3mimOH][Tf2N] (1-(3-hydroxypropyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)amide), [C4Py]- [Tf2N] (butylpyridinium bis(trifluoromethanesulfonyl)amide), [N1888][Tf2N] (methyltrioctylammonium bis- (trifluoromethanesulfonyl)amide), and [P66614][Tf2N] (tetradecyltrihexyl phosphonium bis(trifluoromethanesulfonyl) amide) led at ambient temperature to TiO2 in the form of anatase. The morphology of nano-anatase is controlled by the IL cation. Anatase nanospheres with a crystal size …
Phase And Morphology Selective Interface-Assisted Synthesis Of Highly Luminescent Ln3+-Doped Nagdf4 Nanorods, Anja V. Mudring, Qiang Ju
Phase And Morphology Selective Interface-Assisted Synthesis Of Highly Luminescent Ln3+-Doped Nagdf4 Nanorods, Anja V. Mudring, Qiang Ju
Anja V. Mudring
Making use of the multifunctional properties of ionic liquids by employing them as a fluoride resource and hydrophilic phase, we have grown small, monodisperse, highly luminescent Ln3+-doped NaGdF4 nanorods at the interface between octadecene and the reactive ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate. The obtained nanocrystals could further be endowed with functional groups and rendered water dispersible, which allows them to be used for biodetection.
Plasmonic Pervaporation Via Gold Nanoparticle-Functionalized Nanocomposite Membranes, Aaron Russell
Plasmonic Pervaporation Via Gold Nanoparticle-Functionalized Nanocomposite Membranes, Aaron Russell
Graduate Theses and Dissertations
Butanol derived from biological feedstocks has significant potential as a liquid fuel source, but the separation methods used in its production can be prohibitively expensive and are therefore currently the subject of extensive research. Pervaporation is a promising membrane process that is effective in butanol separations, but involves a large energy demand. This study examines the possibility of increasing flux and energy efficiency in pervaporation via plasmonic heating of gold nanoparticle-functionalized, polymer nanocomposite membranes (AuNCMs) in lieu of conventional feed heating. An economic analysis demonstrated that plasmonic pervaporation could achieve significant reductions in energy usage and utility cost in butanol …
Stability And Growth Behavior Of Transition Metal Nanoparticles In Ionic Liquids Prepared By Thermal Evaporation: How Stable Are They Really?, Kai Richter, Alexander Birkner, Anja V. Mudring
Stability And Growth Behavior Of Transition Metal Nanoparticles In Ionic Liquids Prepared By Thermal Evaporation: How Stable Are They Really?, Kai Richter, Alexander Birkner, Anja V. Mudring
Anja V. Mudring
Recently we developed an access to metal- and metal-oxide colloids based on thermal evaporation of metals into ionic liquids (ILs). Here we present systematic studies on the long-time stability of gold and copper nanoparticles (NPs) in different ILs. The influence of metal concentration and temperature on the ripening of the as-prepared gold NPs in different ILs was investigated by transmission electron microscopy (TEM) and UV-vis absorption measurements. Short alkyl chain-length-methyl-imidazolium salts with weakly coordinating perfluorinated counter anions (PF6, BF4 or Tf2N, bis(trifluoromethanesulfonyl)amide) were found to be better stabilizers compared to ILs with cations bearing long alkyl chains (trihexyltetradecylphosphonium, 1-octyl-3-methylimidazolium) and …
Facile Preparation Of Quantum Cutting Gdf3 : Eu3+ Nanoparticles From Ionic Liquids, Chantal Lorbeer, Joanna Cybinska, Anja V. Mudring
Facile Preparation Of Quantum Cutting Gdf3 : Eu3+ Nanoparticles From Ionic Liquids, Chantal Lorbeer, Joanna Cybinska, Anja V. Mudring
Anja V. Mudring
Microwave reaction of Ln(OAc)3·xH2O, Ln = Gd, Eu; OAc = acetate) with and in the ionic liquid [C4mim][BF4] (C4mim = 1-butyl-3-methylimidazolium) allows the fast and efficient synthesis of small, uniform, oxygen-free lanthanide nanofluorides with excellent photophysical behaviour. For GdF3 : Eu3+ nanoparticles a quantum efficiency of up to 145% was determined.
Easy Access To Ultra Long-Time Stable, Luminescent Europium(Ii) Fluoride Nanoparticles In Ionic Liquids, Nina Von Prondzinski, Joanna Cybinska, Anja V. Mudring
Easy Access To Ultra Long-Time Stable, Luminescent Europium(Ii) Fluoride Nanoparticles In Ionic Liquids, Nina Von Prondzinski, Joanna Cybinska, Anja V. Mudring
Anja V. Mudring
Physical vapour deposition into ionic liquids allows for the first time the synthesis of a reduced lanthanide halide on the nanoscale. The obtained EuF2 nanoparticles show a bright blue luminescence and form long-time stable-colloidal solutions in the ionic liquids.
Dynamics Of Individual Molecules Of Linear Polyethylene Liquids Under Shear: Atomistic Simulation And Comparison With A Free-Draining Bead-Rod Chain, David Keffer, J. M. Kim, B. J. Edwards, B. Khomami
Dynamics Of Individual Molecules Of Linear Polyethylene Liquids Under Shear: Atomistic Simulation And Comparison With A Free-Draining Bead-Rod Chain, David Keffer, J. M. Kim, B. J. Edwards, B. Khomami
David Keffer
Nonequilibrium molecular dynamics (NEMD) simulations of a dense liquid composed of linear polyethylene chains were performed to investigate the chain dynamics under shear. Brownian dynamics (BD) simulations of a freely jointed chain with equivalent contour length were also performed in the case of a dilute solution. This allowed for a close comparison of the chain dynamics of similar molecules for two very different types of liquids. Both simulations exhibited a distribution of the end-to-end vector, |Rete|, with Gaussian behavior at low Weissenberg number (Wi). At high Wi, the NEMD distribution was bimodal, with two peaks …
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, Ruichang Xiong, Rebecca L. Empting, Ian C. Morris, David J. Keffer
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, Ruichang Xiong, Rebecca L. Empting, Ian C. Morris, David J. Keffer
Faculty Publications and Other Works -- Chemical and Biomolecular Engineering
Molecular dynamics (MD) simulations of a Lennard–Jones fluid in an inhomogeneous external field generate steady-state profiles of density and pressure with nanoscopic heterogeneities. The continuum level of mass, momentum, and energy transport balances is capable of reproducing the MD profiles only when the equation of state for pressure as a function of density is extracted directly from the molecular level of description. We show that the density profile resulting from simulation is consistent with both a molecular-level theoretical prediction from statistical mechanics as well as the solution of the continuum-level set of differential equations describing the conservation of mass and …
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, David Keffer
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, David Keffer
David Keffer
Molecular dynamics (MD) simulations of a Lennard–Jones fluid in an inhomogeneous external field generate steady-state profiles of density and pressure with nanoscopic heterogeneities. The continuum level of mass, momentum, and energy transport balances is capable of reproducing the MD profiles only when the equation of state for pressure as a function of density is extracted directly from the molecular level of description. We show that the density profile resulting from simulation is consistent with both a molecular-level theoretical prediction from statistical mechanics as well as the solution of the continuum-level set of differential equations describing the conservation of mass and …
Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, T. C. Ionescu, B. J. Edwards, David Keffer, V. G. Mavrantzas
Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, T. C. Ionescu, B. J. Edwards, David Keffer, V. G. Mavrantzas
Faculty Publications and Other Works -- Chemical and Biomolecular Engineering
The thermodynamical aspects of polymeric liquids subjected to nonisothermal flow are examined from the complementary perspectives of theory, experiment, and simulation. In particular, attention is paid to the energetic effects, in addition to the entropic ones, that occur under conditions of extreme deformation. Comparisons of experimental measurements of the temperature rise generated under elongational flow at high strain rates with macroscopic finite element simulations offer clear evidence of the persistence and importance of energetic effects under severe deformation. The performance of various forms of the temperature equation are evaluated with regard to experiment, and it is concluded that the standard …
Atomistic Simulation Of Energetic And Entropic Elasticity In Short-Chain Polyethylenes, David Keffer, T. C. Ionescu, V. G. Mavrantzas, B. J. Edwards
Atomistic Simulation Of Energetic And Entropic Elasticity In Short-Chain Polyethylenes, David Keffer, T. C. Ionescu, V. G. Mavrantzas, B. J. Edwards
David Keffer
The thermodynamical aspects of polymeric liquids subjected to uniaxial elongational flow are examined using atomistically detailed nonequilibrium Monte Carlo simulations. In particular, attention is paid to the energetic effects, in addition to the entropic ones, which occur under conditions of extreme deformation. Atomistic nonequilibrium Monte Carlo simulations of linear polyethylene systems, ranging in molecular length from C24 to C78 and for temperatures from 300 to 450 K, demonstrate clear contributions of energetic effects to the elasticity of the system. These are manifested in a conformationally dependent heat capacity, which is significant under large deformations. Violations of the hypothesis …
Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, David Keffer, T. C. Ionescu, B. J. Edwards, V. G. Mavrantzas
Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, David Keffer, T. C. Ionescu, B. J. Edwards, V. G. Mavrantzas
David Keffer
The thermodynamical aspects of polymeric liquids subjected to nonisothermal flow are examined from the complementary perspectives of theory, experiment, and simulation. In particular, attention is paid to the energetic effects, in addition to the entropic ones, that occur under conditions of extreme deformation. Comparisons of experimental measurements of the temperature rise generated under elongational flow at high strain rates with macroscopic finite element simulations offer clear evidence of the persistence and importance of energetic effects under severe deformation. The performance of various forms of the temperature equation are evaluated with regard to experiment, and it is concluded that the standard …