Download or read book Structures and Dynamics of Interfacial Water written by Duanyun Cao and published by Springer Nature. This book was released on 2023-03-14 with total page 149 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics. Using the first principles calculation, classical molecular dynamics simulation and the simulation of atomic force microscopy (AFM), combined with the experimental results of AFM, the book systematically studies interfacial water at the atomic scale, especially the structure and growth mechanism of two-dimensional ice on hydrophobic Au (111) surface, the structure and the interconversion of the Eigen/Zundel hydrated proton on the Au(111) and Pt(111) surfaces, the microstructure and the hydration effect of the diffusion of ion hydrates on NaCl surface. This book displays the atomic scale information about the interaction between water and surface, and achieves many innovative results. Furthermore, the research methods included in this book can be further extended to study the more complex interfacial systems.

Download or read book Structures and Dynamics of Interfacial Water written by Fujie Tang and published by . This book was released on 2019 with total page 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.

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.

Download or read book Structure and Dynamics of Interfacial Water at Surfaces with Varying Hydrophobicity written by Stephanie Elise Sanders and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aqueous interfaces are ubiquitous across atmospheric, biological, and technological processes. Interfacial water is thought to play an active role in many of these processes. For instance, hydrophobic coatings are used for anti-biofouling and the interaction between water molecules and the hydrophilic coatings is believed to inhibit protein adhesion. However, the precise role of water is not well understood. Interfacial water is also notoriously difficult to study experimentally since the number of water molecules at the interface is miniscule compared to the bulk and the ultrafast fluctuations of the hydrogen-bonding network require sub-picosecond time resolution. Sum-frequency generation (SFG) is a second-order nonlinear spectroscopy that is sensitive to only the vibrations of interfacial water due to the requirement of broken inversion symmetry within the dipole approximation. Using hydrophobic, hydrophilic and mixed hydrophobic/hydrophilic self-assembled monolayers, we examined the structure of the interfacial water with heterodyne-detected SFG (HD-SFG) to obtain the purely absorptive vibrational line shape. In order to probe the dynamics of the hydrogen-bonded interfacial water, we performed time resolved SFG experiments. The vibrational relaxation time was measured using IR pump- SFG probe experiments, and the spectral diffusion time was measured with interferometric 2D SFG.

Download or read book IONS AND THE STRUCTURE AND DYNAMICS OF INTERFACIAL WATER AT CHARGED SURFACES written by Shalaka Dewan and published by . This book was released on 2015 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: The distinct structure and dynamics of interfacial water are due to a break in the extended hydrogen bonding network present in bulk water. At solid-aqueous interfaces, the presence of surface charge, which induces a static electric field, and the electrolytes, which are present in most naturally relevant systems, can additionally perturb the hydrogen bonding environment due to polarization. The interplay between the surface-charge-induced electric field and the ions in changing the structure of interfacial water has important consequences in the chemistry of processes ranging from protein-water interactions to mineral-water reactivity in oil recovery. Accessing information about the first few layers of water at buried interfaces is challenging. Vibrational sum-frequency generation (vSFG) spectroscopy is a powerful technique to study exclusively the interfacial region and is used here to investigate the role of interfacial solvent structure on surface reactivity. It is known that the rate of quartz dissolution increases on addition of salt at neat water pH. The reason for this enhancement was hypothesized to be a consequence of perturbations in interfacial water structure. The vSFG spectra, which is a measure of ordering in the interfacial water structure, shows an enhanced effect of salt (NaCl) at neat pH 6~8. The trend in the effect of salt on vSFG spectra versus the bulk pH is remarkably consistent with the enhancement of rate of quartz dissolution, providing the first experimental correlation between interfacial water structure and silica dissolution. If salt alters the structure of interfacial water, it must affect the vibrational energy transfer pathways of water, which is extremely fast in bulk water (~130 fs). Thus far, the role of ions on the vibrational dynamics of water at charged surfaces has been limited to the screening effects and reduction in the depth of the region that contributes to vSFG. Here, we measure the ultrafast vibrational relaxation of the O-H stretch of water at silica at different bulk pH, using time-resolved (TR-vSFG). The fast vibrational dynamics of water (~200 fs) observed at charged silica surfaces (pH 6 and pH 12), slows down (~600 fs) on addition of NaCl only at pH 6 and not at pH 12. On the other hand at pH 2 (neutral surface), the vibrational relaxation shows an acceleration at high ionic strengths (0.5 M NaCl). The TR-vSFG results suggest that there is a surface-charge dependence on the sensitivity of the interfacial dynamics to ions and that reduction in the probe depth of vSFG alone cannot explain the changes in the vibrational lifetime of interfacial O-H. This is further supported by the cation specific effects observed in the TR-vSFG of the silica/water interface. While the vibrational relaxation of O-H stretch slows on addition of all salts (LiCl, NaCl, RbCl, and CsCl), the degree of slowing down is sensitive to the cation identity. The vibrational lifetime of O-H stretch in the presence of different cations follows the order: Li+

Download or read book Water Structure at the Water Polymer Interface written by H. Jellinek and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 191 pages. Available in PDF, EPUB and Kindle. Book excerpt: This symposium was held at the l6lst ACS National Meeting, Los Angeles, March/April 1971. It represents a contribution to the discussion of problems connected with the state of water near macromolecules. Some papers are only peripheral to the problem of water structure but may become quite pertinent in specific cases. Questions concerned with water structure, rate of hydration, and similar problems are of importance for biological processes and are still not yet well understood. It is hoped that the papers presented here will be of some help in the clarification of problems in this area. H. H. G. Jellinek Department of Chemistry Clarkson College of Technology Potsdam, New York September, 1971 v CONTRIBUTORS S. Ablett, Unilever Research Laboratory, Colworth House, Sharnbrook, Bedford, England M. Anbar, Stanford Research Institute, Menlo Park, California F. W. Cope, Biochemistry Division, Aerospace Medical Research Laboratory, U. S. Naval Air Development Center, Warminster, Pennsylvania B. Crist, Camille Dreyfus Laboratory, Research Triangle Park, North Carolina F. Franks, Unilever Research Laboratory, Colworth House, Sharnbrook, Bedford, England H. R, Gloria, NASA-Ames Research Center, Moffett Field, California G. W. Gross, New Mexico Institute of Mining and Technology, Socorro, New Mexico H. R. Hansen, The Procter & Gamble Company, Miami Valley Laboratories, Cincinnati, Ohio R. S. Kaiser, Research Laboratories, Eastman Kodak Company, Rochester, New York N. Laiken, Department of Chemistry, The University of Oregon, Eugene, Oregon C. E. Lamaze, Camille Dreyfus Laboratory, Research Triangle Park, North Carolina G. N.

Download or read book Water in Biological and Chemical Processes written by Biman Bagchi and published by Cambridge University Press. This book was released on 2013-11-14 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.

Download or read book Last Minute Secret Santa Gift Idea written by Secret Santa Rude Press and published by . This book was released on 2019-11-27 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt: Funny Christmas Themed Notebook and Journal This is a Journal, Planner and Notebook For Your Best Ideas daily, weekly or as often as you wish. There is plenty of space to write as much as you want, whenever you want. Start jotting down your ideas, big and small, and make your goals and dreams come true. If you want to increase the positive effects, get a copy for a friend and share to inspire each other. Small lined daily diary / journal / notebook to write in, to record your daily gratitude list, creative writing, for creating lists, for scheduling, organizing and recording your thoughts. Makes an excellent gift idea for birthdays, Christmas, sober anniversary birthdays, coworkers or any special occasion. Perfectly sized at 6" x 9" 100 page Softcover bookbinding Fits in your bag Flexible Paperback

Download or read book Theory of Sum Frequency Generation Spectroscopy written by Akihiro Morita and published by Springer. This book was released on 2018-08-02 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy. SFG spectroscopy is widely used as a powerful tool of surface characterization, although theoretical interpretation of the obtained spectra has been a major bottleneck for most users. Recent advances in SFG theory have brought about a breakthrough in the analysis methods beyond conventional empirical ones, and molecular dynamics (MD) simulation of SFG spectroscopy allows for simultaneous understanding of observed spectra and interface structure in unprecedented detail. This book explains these recently understood theoretical aspects of SFG spectroscopy by the major developer of the theory. The theoretical topics are treated at basic levels for undergraduate students and are described in relation to computational chemistry, such as molecular modeling and MD simulation, toward close collaboration of SFG spectroscopy and computational chemistry in the near future.

Download or read book Structural and Dynamical Properties of Water and Polymers at Surfaces and Interfaces written by Selemon Bekele and published by . This book was released on 2018 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: All-atom molecular dynamics simulations have been carried out to study the wetting of model atactic polystyrene thin films by water droplets as a function of surface polarity, the structure and dynamics at the surface of polymer films, the properties of interfacial water molecules in contact with atactic polystyrene surfaces of varying polarity, and the spreading dynamics of water droplets of varying sizes on a completely wetting surface. The simulated contact angle of a water droplet on atactic polystyrene thin films is found to decrease monotonically with increasing degree of surface oxidation which is used as a measure of surface polarity. The number of hydrogen bonds between water molecules and the polystyrene at the interface is found to monotonically increase with polarity. The contribution of the non-dispersion interactions to the interfacial energy at the polystyrene/water interface has been determined as a function of surface polarity. The roughness of the polystyrene surface and the orientational ordering of the surface phenyl rings are found to be independent of surface polarity when the polystyrene is exposed to vacuum. Surface roughness appears to increase and orientational ordering of surface rings appears to decrease slightly with polarity when the polystyrene is in contact with water. Density profiles of polymer films as a function of distance relative to an instantaneous surface exhibit a structure indicative of a layering at the polymer/vapor interface similar to the typical layered structure observed at the polymer/substrate interface. Interfacial molecules at the polymer/vapor interface have a higher mobility compared to that in the bulk while the mobility of the molecules is lower at the polymer/substrate interface. Time correlation of the instantaneous polymer/vapor interface shows that surface fluctuations are strongly temperature dependent and are directly related to the mobility of polymer chains near the interface. Interfacial water molecules on a bare atactic polystyrene surface and those which do not make hydrogen bonds with the oxidized surfaces are found to have a faster dynamics and appear to have a universal water-water hydrogen bond relaxation time of about 5 ps. Diffusion coefficients and the relaxation times of the water molecules involved in hydrogen bonding with the surface show strong dependence on surface polarity with a hydrophobic to hydrophilic transition regime with contact angle in the range 40-50°. The spreading of water droplets on completely wetting surface is characterized by a bulk part of normal density sliding over a monolayer of high density water. The monolayer has a molecular dimension and moves ahead of the bulk part of the droplet. The monolayer motion exhibits two spreading regimes, each following a power law in time. The bulk part of the droplet initially spreads over the monolayer with increasing radius until a characteristic time t* where the monolayer changes from one power law behavior to another. For times after t* ~ 0.1- 0.5 ns, it shrinks while maintaining what appears to be a constant contact angle until it disappears altogether and only a monolayer of water remains on the substrate.

Download or read book Interfacial Dynamics written by Nikola Kallay and published by CRC Press. This book was released on 2000-01-03 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt: An examination of the theoretical foundations of the kinetics and thermodynamics of solid-liquid interfaces, as well as state-of-the-art industrial applications, this book presents information on surface and colloidal chemical processes and evaluates vital analytical tools such as atomic force microscopy, surface force apparatus measurements, and photon correlation spectroscopy.

Download or read book Practical Column Design Guide written by M. Nitsche and published by Springer. This book was released on 2017-10-27 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the aspects that need to be considered when designing distillation columns in practice. It discusses the influencing parameters as well as the equations governing them, and presents several numerical examples. The book is intended both for experienced designers and for those who are new to the subject.

Download or read book Interfacial Water A Physical Chemistry Perspective Volume II written by Motomu Tanaka and published by Frontiers Media SA. This book was released on 2022-07-19 with total page 97 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topic Editor Harada receives financial support from AGC Research Collaboration System with the title “Research on the control of biocompatibility based on the analysis of substrate surface”. The other Topic Editors declare no competing interests

Download or read book Membrane Hydration written by E. Anibal Disalvo and published by Springer. This book was released on 2015-10-05 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is about the importance of water in determining the structure, stability and responsive behavior of biological membranes. Water confers to lipid membranes unique features in terms of surface and mechanical properties. The analysis of the hydration forces, plasticiser effects, controlled hydration, formation of microdomains of confined water suggests that water is an active constituent in a water-lipid system. The chapters describe water organization at the lipid membrane–water interphase, the water penetration, the long range water structure in the presence of lipid membranes by means of X-ray and neutron scattering, general polarization, fluorescent probes, ATR-FTIR and near infrared spectroscopies, piezo electric methods, computer simulation and surface thermodynamics. Permeation, percolation, osmotic stress, polarization, protrusion, sorption, hydrophobicity, density fluctuations are treated in detail in self-assembled bilayers. Studies in lipid monolayers show the correlation of surface pressure with water activity and its role in peptide and enzyme interactions. The book concludes with a discussion on anhydrobiosis and the effect of water replacement in microdomains and its consequence for cell function. New definitions of lipid/water interphases consider water not only as a structural-making solvent but as a mediator in signalling metabolic activity, modulating protein insertion and enzymatic activity, triggering oscillatory reactions and functioning of membrane bound receptors. Since these effects occur at the molecular level, membrane hydration appears fundamental to understand the behavior of nano systems and confined environments mimicking biological systems. These insights in structural, thermodynamical and mechanical water properties give a base for new paradigms in membrane structure and function for those interested in biophysics, physical chemistry, biology, bio and nano medicine, biochemistry, biotechnology and nano sciences searching for biotechnological inputs in human health, food industry, plant growing and energy conversion.

Download or read book Surface and Interface Science Volume 7 written by Klaus Wandelt and published by Wiley-VCH. This book was released on 2020-01-10 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering interface science from a novel surface science perspective, this seven-volume handbook offers a comprehensive overview of both these and numerous other topics. The initial chapters treat basic fundamentals on such topics as vacuum technology, while general chapters -- where appropriate -- describe theoretical methods and provide models to help explain the respective phenomena, such as band structure calculations, chemisorption and segregation. Additionally, short references to more specialized methodology accompany the descriptions of the most important techniques. Ideal as a reference for scientists in the field, as well as an introduction to current methods for newcomers.

Download or read book Proceedings of the International Conference on Colloid and Surface Science written by Y. Iwasawa and published by Elsevier. This book was released on 2001-02-15 with total page 1129 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this Conference was to discuss the results of recent developments and the future prospect in science and technology of the field. The field has been growing and flourishing, while indicating many problems to be uncovered and solved. The conference was structured to encourage interaction and to stimulate the exchange of ideas to accomplish the above purpose. Key issues and materials related to the Conference were included as follows: • Molecular Assemblies in Solutions; • Fine Particles and Colloidal Dispersions; • Supramolecular Organized Films; • Nanostructural Solid Surfaces; • Industrial Applications and Products. The Conference comprised 2 plenary lectures, 42 invited lectures, 150 oral presentations and 266 poster presentations.

Download or read book Interfacial and Confined Water written by Ivan Brovchenko and published by Elsevier. This book was released on 2008-06-03 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Water in the proximity of a surface (interfacial water) is abundant on the earth. It is involved in various physical and chemical processes and crucial for biological function. Despite numerous studies of interfacial water, systematic analysis of its properties is missing in scientific literature. This book is a first comprehensive review of experimental and simulation studies of water in various confining environments, such as hydrophilic and hydrophobic surfaces, surfaces of biomolecules, porous media, etc. Systematic analysis of interfacial and confined water is based on the firm physical ground, which accounts for variety of the thermodynamic states of water near the surface, surface phase transitions, surface critical behaviour, effect of confinement on the bulk and surface phase transitions of water, clustering and formation of a spanning hydrogen-bonded water network via percolation transition. This allows distinguishing between universal features, common for all fluids, and some specific water properties, related to intermolecular hydrogen bonds. Special attention is paid to the properties of hydration water, which covers biomolecules and enables their biological activity. This book provides readers with basic information on interfacial and confined water, which will be useful for scientists and engineers working in the fields of bioscienses, nanociences and nanotechnologies. Comprehensive review and analysis of interfacial and confined water Updates and informs practitioners and students on all the latest developments in the field Written by leading scholars and industry experts