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Self Assembly Of Silica Nanoparticles And Their Role In The Mechanism Of Silicalite 1 Crystallization
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Book Synopsis Self-assembly of Silica Nanoparticles and Their Role in the Mechanism of Silicalite-1 Crystallization by : Jeffrey D. Rimer
Download or read book Self-assembly of Silica Nanoparticles and Their Role in the Mechanism of Silicalite-1 Crystallization written by Jeffrey D. Rimer and published by . This book was released on 2007 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: In a broader scope, the techniques and findings derived in this thesis offer a general methodology that can be applied to other microporous, or silicate, materials to develop predictive models of growth, thereby serving as a framework toward rational syntheses of novel nanomaterials.
Book Synopsis Study of the Self-assembly Process of Microporous Materials Using Molecular Modeling by : Mohammad Navaid Khan
Download or read book Study of the Self-assembly Process of Microporous Materials Using Molecular Modeling written by Mohammad Navaid Khan and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Zeolites are an important class of materials in modern technology with applications in catalysis, separations, biosensing and microelectronics. There are over 200 different zeolite frameworks reported in literature, but only a handful have been used commercially. Understanding their self-assembly process would assist in the fabrication of new zeolites through the control of their pore size/shape, and surface area for advanced applications. With our research we aim to elucidate aspects of zeolite formation using molecular simulations. We have extended the lattice model of silica tetrahedra developed by Jin et al. [L. Jin, S. M. Auerbach and P. A. Monson J. Chem. Phys. 134(13), 2011: 134703] to study silica polymerization under various pH values and silica concentrations. We have investigated the transition from gels, at the iso-electric point of silica, to nanoparticles in the initial stages of the formation of silicalite-1. We focus on two systems: one with low silica concentration with composition comparable to the clear solution silicalite-1 zeolite synthesis, and a high silica concentration system that leads to gel states. In the dilute system, clusters have a core-shell structure with the core predominantly comprised of silica with some SDA+ cations, surrounded by a shell of only SDA+ cations. In the concentrated system there are larger number of smaller nanoparticles than those in dilute system. Next, we focused our attention to study the effects of two different type of structure directing agent (SDA) molecules -- quasi-spherical SDA and tetramethylammonium (TMA) -- on crystalline tetrahedral frameworks in the synthesis of microporous materials. We have implemented parallel tempering Monte Carlo algorithm to simulate the formation of ordered crystalline materials, and we have demonstrated that the presence of SDAs result in the formation of previously unobserved crystalline frameworks. In the case of quasi-spherical SDAs we have observed three-dimensional fully-connected materials as well as two-dimensional layered materials in our simulations, and observed that the interaction between SDAs and silica plays a significant role in directing the final micropore structure. For TMA we have developed two types of models based on silica-TMA interaction -- silica-nitrogen interaction vs silica-methyl interaction. In both of these models we have observed that the TMA molecule forms predominantly three dimensional materials, which suggests that the molecular structure directs the preferential formation of three dimensional frameworks as opposed to two dimensional layered materials. We have also studied the kinetics for formation of crystals using forward-flux sampling method. We have estimated the rate constant of transition from amorphous silica phase to crystalline silica phase. We have also predicted and characterized the transition state for this process. This is the first time when an enhanced sampling method is applied to understand the self-assembly process of microporous crystals. This research has been crucial in understanding the nature of silica polymerization and elucidating the role of structure directing agents in zeolite synthesis; it has taken us a step closer to answering the big question in zeolite science -- "How do all silica zeolites form ?"
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 924 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Simple and Scalable Self-Assembly of Silica Nanoparticles by : Khalid A. Askar
Download or read book Simple and Scalable Self-Assembly of Silica Nanoparticles written by Khalid A. Askar and published by . This book was released on 2014 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystals. The newly developed coating methods have proven to be able to coat different substrates with a monolayer of silica particles and achieve less than 1% light reflection. These newly developed quarter wavelength based antireflection coatings are extremely cheap, easy and quick to fabricate, and can coat multiple substrates at the same time. Furthermore, due to the high quality of the ordered monolayer of silica particles, it is possible to use these particles as a mask for a chlorine reactive ion etching process to produce broadband moth-eye antireflection coatings on both single crystalline and multicrystalline silicon wafers.
Book Synopsis Modeling the Self-Assembly of Ordered Nanoporous Materials by : Szu-Chia Chien
Download or read book Modeling the Self-Assembly of Ordered Nanoporous Materials written by Szu-Chia Chien and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Porous materials are of great importance in many fields due to their wide applications. An ongoing theme in this area is the tailoring of materials for specific applications. With a better understanding of the formation mechanisms, tailoring and controlling the pore structure may be achieved. The objective of this research is acquiring further understanding of the fundamental physics that govern the formation of these materials using molecular simulations. We are aiming to unravel the assembly process of silica porous materials using a semi-rigid silica tetrahedral model. This model together with reaction ensemble Monte Carlo simulations allows us to study the formation of silica nanoparticles, the initial stages of microporous material formation. A two-step formation mechanism was found to be crucial for generating the nanoparticles. A replica-exchange reaction ensemble Monte Carlo sampling together with the silica tetrahedral model is developed and applied to cross the energy barrier between amorphous silica to crystalline silica materials for searching for the ground state structure of this model. The technique involves simulating several system copies with different equilibrium constants controlling silica condensation/hydrolysis reactions, which are essential for building higher-order network structures and eventually crystals, was preformed. Different silica polymorphs including all-silica zeolite frameworks were obtained. This model shows a great potential to study the crystallization of microporous materials. We also study the formation of mesoporous materials using molecular dynamics simulations. We investigate the interplay of silica molecules and surfactants, and different mesophases such as micellar rods, hexagonal, bicontinuous and lamellar phases were obtained. Multiple charges on silicate oligomers were found to play an important role in the formation of hexagonal phases. To study the later stages of MCM-41 formation, a hybrid molecular dynamics and Monte Carlo approach is proposed. The cooperation between the physical interaction and chemical reaction can be taken into account simultaneously. Preliminary study shows that the ratio of silicate to surfactant higher than 4 is essential to the growth of MCM-41. With a further enhancement on the model, this hybrid approach will be a powerful tool to simulate the formation of MCM-41 in a large system and at a long time scale.
Book Synopsis Growth of Silica-based Nanoparticles by : Teresa Yi Kao
Download or read book Growth of Silica-based Nanoparticles written by Teresa Yi Kao and published by . This book was released on 2017 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Silica chemistry provides a uniquely tunable platform for nanoparticle synthesis, where particle size, nanoscale morphology, and surface properties can be precisely controlled. Recent advances demonstrate that conveniently accessible parameters, including silica precursor chemistry, solvent, and reaction pH, can be used to tune particle size down to below 10 nm. By cooperative assembly of inorganic silica species and organic molecular structure directing agents, a diverse range of mesoporous silica nanoparticles with hexagonal, cubic, and multicompartment structures can be produced. This versatile chemistry provides pathways for answering fundamental questions about structure formation and developing novel functional nanomaterials for applications including separation, catalysis, and drug delivery. In this dissertation, two examples of such silica nanoparticle systems are discussed. As a first example, the development of an intensity-based fluorescent silica nanoparticle barcode is discussed. This work is motivated by a need for fluorescent tags that increase the number of molecular species that can be simultaneously labeled and reliably distinguished using commercially available fluorescence microscopes. In this study, the synthetic parameters that govern the incorporation of precisely controlled numbers of fluorescent dyes into silica nanoparticles in batch reactions are identified. Heterogeneities within particle batches are mapped using single particle fluorescence microscopy. Proof-of-concept experiments demonstrate that fluorescent silica nanoparticles with well-separated high and low fluorescence intensity distribution levels can be synthesized in batch reactions and used as an intensity barcode in fluorescence microscopy. In the second example, a mesoporous silica nanoparticle system, structure directed by surfactant-micelle self-assembly, is investigated. As a function of an added pore expander molecule or reaction stirring rate, a series of four distinct mesoporous silica nanoparticle structures is observed: hexagonal, cubic/hexagonal multicompartment, cubic, and dodecagonal quasicrystalline. The mechanism driving the structural transition between cubic crystalline and dodecagonal quasicrystalline mesoporous silica nanoparticles is investigated. Control of nanoparticle size down to a single tiling unit (
Book Synopsis Silica-based Materials for Advanced Chemical Applications by : Mario Pagliaro
Download or read book Silica-based Materials for Advanced Chemical Applications written by Mario Pagliaro and published by Royal Society of Chemistry. This book was released on 2009 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: This clear and concise book is the first to address the hot topic of functional silica gels and their applications.
Book Synopsis Kinetics and Thermodynamics of Multistep Nucleation and Self-Assembly in Nanoscale Materials by : Gregoire Nicolis
Download or read book Kinetics and Thermodynamics of Multistep Nucleation and Self-Assembly in Nanoscale Materials written by Gregoire Nicolis and published by John Wiley & Sons. This book was released on 2012-04-11 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series—the cuttingedge of research in chemical physics The Advances in Chemical Physics series provides thechemical physics and physical chemistry fields with a forum forcritical, authoritative evaluations of advances in every area ofthe discipline. Filled with cutting-edge research reported in acohesive manner not found elsewhere in the literature, each volumeof the Advances in Chemical Physics series presents contributionsfrom internationally renowned chemists and serves as the perfectsupplement to any advanced graduate class devoted to the study ofchemical physics. This volume explores: Kinetics and thermodynamics of fluctuation-induced transitionsin multistable systems (G. Nicolis and C. Nicolis) Dynamical rare event simulation techniques for equilibrium andnonequilibrium systems (Titus S. van Erp) Confocal depolarized dynamic light scattering (M. Potenza, T.Sanvito, V. Degiorgio, and M. Giglio) The two-step mechanism and the solution-crystal spinodal fornucleation of crystals in solution (Peter G. Vekilov) Experimental studies of two-step nucleation duringtwo-dimensional crystallization of colloidal particles withshort-range attraction (John R. Savage, Liquan Pei, and Anthony D.Dinsmore) On the role of metastable intermediate states in the homogeneousnucleation of solids from solution (James F. Lutsko) Effects of protein size on thehigh-concentration/low-concentration phase transition (PatrickGrosfils) Geometric constraints in the self-assembly of mineral dendritesand platelets (John J. Kozak) What can mesoscopic level in situ observations teach us aboutkinetics and thermodynamics of protein crystallization? (MikeSleutel, Dominique Maes, and Alexander Van Driessche) The ability of silica to induce biomimetic crystallization ofcalcium carbonate (Matthias Kellermeier, Emilio Melero-GarcÍa,Werner Kunz, and Juan Manuel GarcÍa-Ruiz)
Book Synopsis Polymer-Layered Silicate and Silica Nanocomposites by : Y.C. Ke
Download or read book Polymer-Layered Silicate and Silica Nanocomposites written by Y.C. Ke and published by Elsevier. This book was released on 2005-07-13 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymer-Layered Silicate and Silica Nanocomposites includes advanced materials and nanocomposites based on silica and layered silicates obtained from resources in China. Using nanotechnology, these inorganic materials can be filled, in-situ polymerised and combined with polymers with nanoscale dispersions. In this book, many practical examples are presented to show how to prepare the nanocomposites. Several kinds of polymer (PET,PBT,PE,PP,etc.)-layered silicate and silica nanocomposites are prepared and investigated based on our research works, inventions and applications. They are prepared and modified aiming at their applications to such fields as, functional films, barrier materials, coatings, and engineering plastics. Their structure-property relationship, especially the nano effects from them are investigated under different techniques to show how the critical load of the inorganic phase has the effect on the final properties of the nanocomposite materials. Obviously, this new generation of materials has revolutionary effects on the traditional materials or industry as petroleum. Some of the prospects of them are thus included. Focus on the inorganic phase, which is of wide practical and industrial significance Dealing with many first report of the nanoeffect, nanostructure and its functional properties Especially, it covers the particle assembly and self-assemble by interaction with polymer matrix
Book Synopsis Directed Self-assembly of Silica Nanoparticles by : Deying Xia
Download or read book Directed Self-assembly of Silica Nanoparticles written by Deying Xia and published by . This book was released on 2006 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis From Zeolites to Porous MOF Materials - the 40th Anniversary of International Zeolite Conference, 2 Vol Set by : Ruren Xu
Download or read book From Zeolites to Porous MOF Materials - the 40th Anniversary of International Zeolite Conference, 2 Vol Set written by Ruren Xu and published by Elsevier. This book was released on 2007-07-12 with total page 2242 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Proceedings of the 15th International Zeolite Conference contain 291 full papers, including the full papers of 5 plenary lecture, 12 keynote lectures, and 4 invited lectures at the R. M. Barrer Symposium. The topics of these full papers include synthesis, modifications, structures, characterization, adsorption, separation and diffusion, catalysis, host-guest chemistry and advanced materials, industrial applications, theory and modeling, mesostructured materials, MOF materials, and natural zeolites. The other 271 full papers were selected from the about 1000 contributions submitted to the 15th IZC. - Most recent research results in zeolite science- Full indexes- Wide coverage of zeolite science and technology
Book Synopsis The Sol-Gel Handbook, 3 Volume Set by : David Levy
Download or read book The Sol-Gel Handbook, 3 Volume Set written by David Levy and published by John Wiley & Sons. This book was released on 2015-11-02 with total page 1604 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive three-volume handbook brings together a review of the current state together with the latest developments in sol-gel technology to put forward new ideas. The first volume, dedicated to synthesis and shaping, gives an in-depth overview of the wet-chemical processes that constitute the core of the sol-gel method and presents the various pathways for the successful synthesis of inorganic and hybrid organic-inorganic materials, bio- and bio-inspired materials, powders, particles and fibers as well as sol-gel derived thin films, coatings and surfaces. The second volume deals with the mechanical, optical, electrical and magnetic properties of sol-gel derived materials and the methods for their characterization such as diffraction methods and nuclear magnetic resonance, infrared and Raman spectroscopies. The third volume concentrates on the various applications in the fields of membrane science, catalysis, energy research, biomaterials science, biomedicine, photonics and electronics.
Book Synopsis Metal Oxide-Based Photocatalysis by : Adriana Zaleska-Medynska
Download or read book Metal Oxide-Based Photocatalysis written by Adriana Zaleska-Medynska and published by Elsevier. This book was released on 2018-04-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Oxide-Based Photocatalysis: Fundamentals and Prospects for Application explains the principles and fundamentals of metal oxide-based photocatalysis and the requirements necessary for their use in photocatalysis. It also discusses preparation methods for photocatalysis, and the advantages, disadvantages and achievements of the most important metal oxides (TiO2, ZnO, Fe2O3, Ta2O3, CuO, NiO, Cr2O3, RuO2, etc.). The book concludes with the most important photocatalytic applications and an overview of the future. Applications are organized by potential needs and solutions, addressing such areas as water treatment, hydrogen production, air treatment, chemical synthesis, and applications in medicine and construction. Provides coverage of applications, presenting needs and solutions Covers essential applications, such as water treatment, hydrogen production, air depollution, medical applications, and much more Includes the characterization of the most important metal oxides used in heterogeneous photocatalysis
Book Synopsis Silica Nanoparticles by : Juan Vivero-Escoto
Download or read book Silica Nanoparticles written by Juan Vivero-Escoto and published by Nova Science Publishers. This book was released on 2011 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Scalable Self-assembly of Mesoporous Silica Microparticles Via Spray Drying by : Kathryn Elizabeth Waldron
Download or read book Scalable Self-assembly of Mesoporous Silica Microparticles Via Spray Drying written by Kathryn Elizabeth Waldron and published by . This book was released on 2014 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt: Porous materials have been shown in nature to be extremely useful for the intended applications. These naturally porous materials have inspired a vast array of synthetic porous materials, especially with the pore sizes in the nanoscale. Of particular interest are the mesoporous materials which have pores in the range of 2 - 50 nm. Thus the pores are the optimum sizes for a wide range of applications being large enough to adsorb/host the larger molecules (bio-molecules) yet small enough to entrap them. Mesoporous silica is of particular interest as its characteristic high surface areas, controllable mesostructures and pore size, coupled with high chemical and thermal stability and availability for surface functionalization could be ideal for a range of applications including adsorption, catalysis, or as drug carriers and biosensors due to their biocompatibility and low cytotoxicity.Traditionally mesoporous silica is synthesised through a "wet chemistry" or solvent evaporation method whereby the mesostructures form in solution and are recovered as the precipitate. However, conventional solution or solvent-evaporation precipitation procedures to synthesize mesoporous materials do present several drawbacks. Firstly, most of them are still conducted in time-consuming and costly batch operations that are not amenable to scalable fabrication. More importantly, most mesoporous silica materials produced via hydrothermal methods are fine powders with non-uniform and/or small sizes, which often have to be post shaped to uniform and large microparticles before use in real applications. Evaporation methods, on the other hand, enable high precision in either particle diameter or thickness of film to produce the particle sizes that are better suited for practical applications, such as in adsorption, separation and catalysis, and packed columns where dynamic streams with high pressure, temperature and fluid flow are often involved. Therefore, fast and scalable fabrication of uniform mesoporous silica microparticles with large geometrical sizes (tens of micrometers) and mesopore size (> 2 - 50 nm) is preferred as they can provide large surface area with accessible pore volumes, without inducing excessive fluid pressure drop across the bed.An alternative method for the synthesis of mesoporous silicas is evaporation-induced self-assembly (EISA) which is the result of competition between condensation of silica and self-assembly of micelles. The EISA process facilitates the control of the final structure though chemical parameters such as the composition of the precursor solution, pH, and aging time, and through processing parameters such as the evaporation rate (partial vapour pressures, temperature, convection), and droplet diameter. Spray drying offers a fast and scalable method of producing mesoporous silica, yet the mechanism behind the self-assembly and the effect of many parameters has yet to be fully elucidated. There are also drawbacks associated with spray drying that are not present in more traditional methods that must be overcome in order for it to be useful in a wide range of applications. These gaps in the knowledge with regards to effects of parameters (drying temperature, initial solute content, precursor composition, solvent, hydrolysis time, post-synthesis treatment) and possible mechanisms are explored in this thesis. We have found that the mesostructure is dependent on the composition of the precursor and for SBA-15 the inlet temperature, while the particle size and shape can be controlled through the initial solute content, inlet temperature, solvent, and hydrolysis time. We propose that the mechanism of assembly is the result of a "wet-pocket" formation with the mesostructure not fully set in the initial spray drying phase, instead it continues to self-organise during secondary drying. The drawbacks, such as the skin that is the result of spray drying which reduces the efficacy of the product in applications, have been overcome through the use of post-synthesis hydrothermal treatments and the addition of co-templates.
Book Synopsis Handbook of Nanophysics by : Klaus D. Sattler
Download or read book Handbook of Nanophysics written by Klaus D. Sattler and published by CRC Press. This book was released on 2010-09-17 with total page 888 pages. Available in PDF, EPUB and Kindle. Book excerpt: The tools of nanodiagnostics, nanotherapy, and nanorobotics are expected to revolutionize the future of medicine, leading to presymptomatic diagnosis of disease, highly effective targeted treatment therapy, and minimum side effects. Handbook of Nanophysics: Nanomedicine and Nanorobotics presents an up-to-date overview of the application of nan
Book Synopsis Study of Self-assembly of Nanoporous Silica Particles and Biomolecules on Sensing Surfaces by : Dmytro Volkov
Download or read book Study of Self-assembly of Nanoporous Silica Particles and Biomolecules on Sensing Surfaces written by Dmytro Volkov and published by . This book was released on 2011 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt:
