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Wetting And Interfacial Water Analysis Of Selected Mineral Surfaces As Determined By Molecular Dynamics Simulation And Sum Frequency Vibrational Spectroscopy
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Book Synopsis Wetting and Interfacial Water Analysis of Selected Mineral Surfaces as Determined by Molecular Dynamics Simulation and Sum Frequency Vibrational Spectroscopy by : Jiaqi Jin
Download or read book Wetting and Interfacial Water Analysis of Selected Mineral Surfaces as Determined by Molecular Dynamics Simulation and Sum Frequency Vibrational Spectroscopy written by Jiaqi Jin and published by . This book was released on 2016 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structures and Dynamics of Interfacial Water by : Fujie Tang
Download or read book Structures and Dynamics of Interfacial Water written by Fujie Tang and published by Springer. This book was released on 2019-06-20 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water–TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.
Book Synopsis Vibrational Sum Frequency Spectroscopic Studies and Molecular Dynamics Simulations of Water Surfaces by : Dave S. Walker
Download or read book Vibrational Sum Frequency Spectroscopic Studies and Molecular Dynamics Simulations of Water Surfaces written by Dave S. Walker and published by . This book was released on 2007 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Vibrational Spectroscopy of Water Interfaces by : Quan Du
Download or read book Vibrational Spectroscopy of Water Interfaces written by Quan Du and published by . This book was released on 1994 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structure and Dynamics of Water Next to Mineral Surfaces by : Aashish Tuladhar
Download or read book Structure and Dynamics of Water Next to Mineral Surfaces written by Aashish Tuladhar and published by . This book was released on 2016 with total page 199 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational sum frequency generation (vSFG) spectroscopy is a second order non-linear technique that can efficiently and selectively investigate an interface between two media. vSFG spectroscopy has been frequently used to interrogate the mineral/water interface by probing the interfacial O−H stretch, which is an excellent reporter of its hydrogen bonding environment. My work, described in this dissertation, is focused on using steady-state and time-resolved vSFG spectroscopy to understand how (a) the type of mineral, (b) the crystalline faces of the mineral, (c) the surface charge of the mineral, and (d) the ionic strength of the bulk liquid affect the structure and the ultrafast dynamics of the mineral/water interface. The results obtained for alumina/water interface are compared with the more commonly studied silica/water interface. The Al2O3/H2O interface provides an ideal opportunity to study the behavior of water next to a positively charged, neutral, and negatively charged mineral surface since its point of zero charge (PZC) lies near the pH of neutral water (pH 6-8). In contrast, due to its low PZC (~pH 2), silica surface is usually neutral or negatively charged. Additionally, a-alumina is crystalline in structure and can be cut to expose different faces (e.g., 0001, 11 ̅02, 112 ̅0) which has been speculated to uniquely affect the ordering and the hydrogen bonding environment of its adjacent water molecules. Our vSFG spectra of the O-H stretch at the alumina/water interface revealed the presence of highly red-shifted 3000 cm-1 species, which is absent at the silica/water interface. With the help of DFT calculations, we assigned the red-shifted peak to the O-H stretch of strongly hydrogen bonded surface aluminol groups and/or interfacial water molecules that are hydrogen bonded to the mineral surface. The 3000 cm-1 species was present at both the Al2O3(0001) and the Al2O3(112 ̅0) surface, but was more prominent for the latter which resulted in the O-H stretch of the Al2O3(112 ̅0)/H2O interface to appear more red-shifted compared to the Al2O3(0001)/H2O interface. This observation provided us with an experimental evidence that the water next to the Al2O3(112 ̅0) surface is in a stronger hydrogen bonded environment than next to the Al2O3(0001) surface as predicted by Catalano's X-ray reflectivity measurements. Additionally, IR pump - vSFG probe experiments were used to investigate the ultrafast vibrational dynamics of the O-H stretch at alumina/water interfaces. The vibrational dynamics at the Al2O3(112 ̅0)/H2O interface was observed to be fast (T1 = 100-130 fs) and not affected by the mineral surface charge (controlled by bulk pH) or the ionic strength (up to 0.5 M NaCl). In contrast, for the Al2O3(0001)/H2O interface, the vibrational dynamics was observed to be two times faster for the charged surface (T1 ~ 105 fs) compared to the neutral surface (T1 ~ 220 fs). This result provides further evidence that the water next to the Al2O3(112 ̅0) surface is more ordered and/or strongly hydrogen bonded compared to the water next to the Al2O3(0001) surface. The vibrational dynamics observed at the charged Al2O3(0001)/H2O interface (T1 ~105 fs) is faster than in bulk water and at the charged silica/water interface (T1 = ~200 fs). We speculate that the red-shifted 3000 cm-1 species present at the alumina/water interface plays a major role in the mechanism of vibrational relaxation since the 3000 cm-1 species is present at the alumina/water interface and not at the silica/water interface. The main mechanism of vibrational relaxation of the O-H stretch in bulk water is known to proceed via the Fermi-resonance coupling between the overtone of the water bend and the O-H stretch. The presence of red-shifted O-H species at the alumina/water interface could lead to better coupling between the O-H stretch and the water bend overtone and hence result in faster vibrational relaxation than in bulk water. Alternatively, a new pathway of vibrational relaxation via an ultrafast excited state proton transfer reaction could be operative for the alumina/water interface due to the presence of different types of O-H stretches (arising from aluminol groups and water molecules). Such a mechanism would not be possible at the silica interface due to the significantly lower density of surface bound hydroxyls. We are not able to determine the dominant mechanism for vibrational relaxation at the alumina/water interface with our current experiments and therefore, our future work will involve collaborations with theoretical groups in order to answer this question.
Book Synopsis Mineral-water Interfacial Reactions by : Donald L. Sparks
Download or read book Mineral-water Interfacial Reactions written by Donald L. Sparks and published by . This book was released on 1998 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clearly explains how to more effectively decipher and predict contaminant fate in the environment by combining kinetic methods and molecular-scale spectroscopic and microscopic techniques to analyze mineral/water interfacial reactions in situ. The book begins with a broad overview, then continues with three sections written by internationally known expert. The first deals specifically with spectroscopic/microscopic techniques that can be used in combination with macroscopic approaches to glean mechanistic information on mineral/water reactions and processes. The second section emphasizes computer models that are used to elucidate surface mediated reaction mechanisms. The remainder of the volume is organized around reaction type, including sorption/desorption of inorganic species, sorption/desorption of organic species, precipitation/dissolution processes, heterogeneous electron transfer reactions, photochemically driven reactions, and microbially mediated reactions. Mineral-Water Interfacial Reactions will be a valuable resource for environmental scientists, geochemists, soil chemists, microbiologists, and marine engineers who need to be familiar with the most current and effective methods for testing and controlling the mobility, speciation, and bioavailability of contaminants in the environment.
Download or read book Index Medicus written by and published by . This book was released on 2002 with total page 1540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.
Book Synopsis Mineral-Water Interface Geochemistry by : Michael F. Hochella
Download or read book Mineral-Water Interface Geochemistry written by Michael F. Hochella and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 23 of Reviews in Mineralogy and accompanying MSA short course covers chemical reactions that take place at mineral-water interfaces. We believe that this book describes most of the important concepts and contributions that have driven mineral-water interface geochemistry to its present state. We begin in Chapter 1 with examples of the global importance of mineral-water interface reactions and a brief review of the contents of the entire book. Thereafter, we have divided the book into four sections, including atomistic approaches (Chapters 2- 3), adsorption (Chapters 4-8), precipitation and dissolution (Chapters 9-11), and oxidation-reduction reactions (Chapters 11-14).
Book Synopsis Chemistry of the Upper and Lower Atmosphere by : Barbara J. Finlayson-Pitts
Download or read book Chemistry of the Upper and Lower Atmosphere written by Barbara J. Finlayson-Pitts and published by Elsevier. This book was released on 1999-11-17 with total page 993 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here is the most comprehensive and up-to-date treatment of one of the hottest areas of chemical research. The treatment of fundamental kinetics and photochemistry will be highly useful to chemistry students and their instructors at the graduate level, as well as postdoctoral fellows entering this new, exciting, and well-funded field with a Ph.D. in a related discipline (e.g., analytical, organic, or physical chemistry, chemical physics, etc.). Chemistry of the Upper and Lower Atmosphere provides postgraduate researchers and teachers with a uniquely detailed, comprehensive, and authoritative resource. The text bridges the "gap" between the fundamental chemistry of the earth's atmosphere and "real world" examples of its application to the development of sound scientific risk assessments and associated risk management control strategies for both tropospheric and stratospheric pollutants. Serves as a graduate textbook and "must have" reference for all atmospheric scientists Provides more than 5000 references to the literature through the end of 1998 Presents tables of new actinic flux data for the troposphere and stratospher (0-40km) Summarizes kinetic and photochemical date for the troposphere and stratosphere Features problems at the end of most chapters to enhance the book's use in teaching Includes applications of the OZIPR box model with comprehensive chemistry for student use
Book Synopsis Interfacial Water Organization and Ion Distributions Investigated with Vibrational Sum Frequency Spectroscopy by : Wei Hua
Download or read book Interfacial Water Organization and Ion Distributions Investigated with Vibrational Sum Frequency Spectroscopy written by Wei Hua and published by . This book was released on 2013 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: Here, interface-specific nonlinear optical spectroscopies, conventional vibrational sum frequency generation (VSFG) and heterodyne-detected vibrational sum frequency generation (HD-VSFG), are employed to probe interfacial water molecules at the molecular level. HD-VSFG spectroscopy allows for direct interrogation of the average orientation of the transition dipole moment of interfacial water molecules that is intrinsically contained in the sign of the second-order nonlinear susceptibility, X(2). The water organization and ion distributions at air/aqueous interfaces of inorganic salt solutions are inferred from Im X(2) spectra obtained by HD-VSFG spectroscopy.
Book Synopsis Vibrational Spectroscopy of Water in the Bulk and at the Liquid/vapor Interface by : Benjamin M. Auer
Download or read book Vibrational Spectroscopy of Water in the Bulk and at the Liquid/vapor Interface written by Benjamin M. Auer and published by . This book was released on 2008 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Sum Frequency Generation Vibrational Spectroscopy Studies on ModelPeptide Adsorption at the Hydrophobic Solid-Water and HydrophilicSolid-Water Interfaces by :
Download or read book Sum Frequency Generation Vibrational Spectroscopy Studies on ModelPeptide Adsorption at the Hydrophobic Solid-Water and HydrophilicSolid-Water Interfaces written by and published by . This book was released on 2007 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sum frequency generation (SFG) vibrational spectroscopy has been used to study the interfacial structure of several polypeptides and amino acids adsorbed to hydrophobic and hydrophilic surfaces under a variety of experimental conditions. Peptide sequence, peptide chain length, peptide hydrophobicity, peptide side-chain type, surface hydrophobicity, and solution ionic strength all affect an adsorbed peptide's interfacial structure. Herein, it is demonstrated that with the choice of simple, model peptides and amino acids, surface specific SFG vibrational spectroscopy can be a powerful tool to elucidate the interfacial structure of these adsorbates. Herein, four experiments are described. In one, a series of isosequential amphiphilic peptides are synthesized and studied when adsorbed to both hydrophobic and hydrophilic surfaces. On hydrophobic surfaces of deuterated polystyrene, it was determined that the hydrophobic part of the peptide is ordered at the solid-liquid interface, while the hydrophilic part of the peptide appears to have a random orientation at this interface. On a hydrophilic surface of silica, it was determined that an ordered peptide was only observed if a peptide had stable secondary structure in solution. In another experiment, the interfacial structure of a model amphiphilic peptide was studied as a function of the ionic strength of the solution, a parameter that could change the peptide's secondary structure in solution. It was determined that on a hydrophobic surface, the peptide's interfacial structure was independent of its structure in solution. This was in contrast to the adsorbed structure on a hydrophilic surface, where the peptide's interfacial structure showed a strong dependence on its solution secondary structure. In a third experiment, the SFG spectra of lysine and proline amino acids on both hydrophobic and hydrophilic surfaces were obtained by using a different experimental geometry that increases the SFG signal. Upon comparison of these spectra to the SFG spectra of interfacial polylysine and polyproline it was determined that the interfacial structure of a peptide is strongly dependent on its chain length. Lastly, SFG spectroscopy has been extended to the Amide I vibrational mode of a peptide (which is sensitive to peptide secondary structure) by building a new optical parametric amplifier based on lithium thioindate. Evidence is presented that suggests that the interfacial secondary structure of a peptide can be perturbed by a surface.
Book Synopsis Ultrafast Vibrational Spectroscopy and Dynamics of Water at Interfaces by : Ali Eftekharibafrooei
Download or read book Ultrafast Vibrational Spectroscopy and Dynamics of Water at Interfaces written by Ali Eftekharibafrooei and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry
Book Synopsis Physics and Chemistry of Interfaces by : Hans-Jürgen Butt
Download or read book Physics and Chemistry of Interfaces written by Hans-Jürgen Butt and published by John Wiley & Sons. This book was released on 2023-02-07 with total page 485 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physics and Chemistry of Interfaces Comprehensive textbook on the interdisciplinary field of interface science, fully updated with new content on wetting, spectroscopy, and coatings Physics and Chemistry of Interfaces provides a comprehensive introduction to the field of surface and interface science, focusing on essential concepts rather than specific details, and on intuitive understanding rather than convoluted math. Numerous high-end applications from surface technology, biotechnology, and microelectronics are included to illustrate and help readers easily comprehend basic concepts. The new edition contains an increased number of problems with detailed, worked solutions, making it ideal as a self-study resource. In topic coverage, the highly qualified authors take a balanced approach, discussing advanced interface phenomena in detail while remaining comprehensible. Chapter summaries with the most important equations, facts, and phenomena are included to aid the reader in information retention. A few of the sample topics included in Physics and Chemistry of Interfaces are as follows: Liquid surfaces, covering microscopic picture of a liquid surface, surface tension, the equation of Young and Laplace, and curved liquid surfaces Thermodynamics of interfaces, covering surface excess, internal energy and Helmholtz energy, equilibrium conditions, and interfacial excess energies Charged interfaces and the electric double layer, covering planar surfaces, the Grahame equation, and limitations of the Poisson-Boltzmann theory Surface forces, covering Van der Waals forces between molecules, macroscopic calculations, the Derjaguin approximation, and disjoining pressure Physics and Chemistry of Interfaces is a complete reference on the subject, aimed at advanced students (and their instructors) in physics, material science, chemistry, and engineering. Researchers requiring background knowledge on surface and interface science will also benefit from the accessible yet in-depth coverage of the text.
Book Synopsis Physics of Surfaces and Interfaces by : Harald Ibach
Download or read book Physics of Surfaces and Interfaces written by Harald Ibach and published by Springer Science & Business Media. This book was released on 2006-11-18 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level textbook covers the major developments in surface sciences of recent decades, from experimental tricks and basic techniques to the latest experimental methods and theoretical understanding. It is unique in its attempt to treat the physics of surfaces, thin films and interfaces, surface chemistry, thermodynamics, statistical physics and the physics of the solid/electrolyte interface in an integral manner, rather than in separate compartments. It is designed as a handbook for the researcher as well as a study-text for graduate students. Written explanations are supported by 350 graphs and illustrations.
Download or read book NBS Special Publication written by and published by . This book was released on 1968 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Intermolecular and Surface Forces by : Jacob N. Israelachvili
Download or read book Intermolecular and Surface Forces written by Jacob N. Israelachvili and published by Academic Press. This book was released on 2011-07-22 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intermolecular and Surface Forces describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. Starts from the basics and builds up to more complex systems Covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels Multidisciplinary approach: bringing together and unifying phenomena from different fields This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)
