Download or read book Dynamics of Water and Aqueous Solutions in Geometrical Confinement written by Matthias Sattig and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Structure of Water and Aqueous Solutions written by Werner A. P. Luck and published by Wiley-VCH. This book was released on 1974 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dynamics in Small Confining Systems written by and published by . This book was released on 2003 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Effects of Confinement on the Thermodynamics of Supercooled Water written by and published by . This book was released on 2012 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: The main focus of this thesis is to understand how confinement alters the phase diagram of supercooled liquid water by employing methods of statistical mechanics and numerical simulations.Water is very complex and anomalous when compared to simple liquids. For example, experimental data for liquid water reveals the presence of a temperature of maximum density (TMD) below which the density decreases under isobaric cooling. Another anomaly is the hypothesized liquid-liquid phase transition (LLPT) between two types of liquid water with different densities. In this thesis we study how confinement affects such anomalies as TMD and LLPT in supercooled liquid water.This thesis is separated into three parts: (i) Monte Carlo simulations of a 2D coarse-grained model of a water layer confined in a fixed disordered matrix of hydrophobic nanoparticles, (ii) molecular dynamics simulations of a Jagla ramp model of liquid confined in fixed ordered and disordered matrices of hydrophobic nanoparticles, and (iii) all-atom simulations of trehalose and maltose in aqueous solution of lysozyme.In Part (i), we perform Monte Carlo simulations and find that a nanoparticle concentration as small as 2.4% is enough to destroy the LLPT for pressure P > 0.14 GPa. Moreover, we find a substantial (more than 90%) decrease of compressibility, thermal expansion coefficient and specific heat at high P and low temperature T upon increase of nanoparticle concentration from 0% to 25%.In Part (ii), we ask how, for single component systems interacting via a soft-core isotropic potential with two characteristic length scales, the geometry of hydrophobic confinement affects the phase diagram. We use molecular dynamics simulations to study particles interacting through a ramp potential and a shoulder potential, each confined in a fixed matrix of nanoscopic particles with a fixed volume fraction. We find a substantial weakening of the LLPT and the disappearance of TMD upon the increase of disorder in the confining geometry.In Part (iii), we study aqueous systems with all-atom simulations. We are currently investigating the mechanism of water-trehalose-protein and water-maltose-protein interaction upon supercooling for its relevance to bioprotection.
Download or read book Dynamics in Small Confining Systems 2003 Volume 790 written by Materials Research Society. Meeting and published by . This book was released on 2004-04-27 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.
Download or read book Structure and Dynamics of Water and Aqueous Solutions written by and published by . This book was released on 1984 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic Properties of Inorganic and Organometallic Compounds written by Jack Yarwood and published by Royal Society of Chemistry. This book was released on 2011-07-31 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annotation This series provides an unequalled source of information on an area of chemistry that continues to grow in importance. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in the field, researchers will find this an invaluable source of information on current methods and applications.
Download or read book Dynamics of Biological Macromolecules by Neutron Scattering written by Salvatore Magazù and published by Bentham Science Publishers. This book was released on 2011 with total page 118 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dynamics of Biological Macromolecules by Neutron Scattering provides insight into the study of the dynamics of biological macromolecules by neutron scattering techniques. The applicability of neutron scattering to expanding fields of biological studies is
Download or read book Effects of Confinement on Water Structure and Dynamics and on Proton Transport written by Pussana Hirunsit and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Classical molecular dynamics (MD) simulations are performed to study structural and dynamic properties of water confined within graphite surfaces. The surfaces are separated at distances varying between 7 and 14.5 Å and the water density is held constant at 1g/cc. Results at 298 K show the formation of a well-ordered structure constituted by water layers parallel to the graphite surfaces. The water molecules in the layers in contact with the surface have a tendency to orient their dipole parallel to the surface. Such ice-like structures may have different structural and dynamic properties than those of ice. The calculated mean square displacement reveals that the mobilities of the confined water at a separation of 8 Å become similar to that of low-temperature water (213 K) at the same density, although the structures of water are very different. The temperature at which the mobility of water confined at the separation of 7 Å would become similar to that of bulk low-temperature water was found to be 373K. With respect to the dynamics of confined water, a significant blue shift is observed in the intermolecular vibrational modes associated with the O···O···O bending and O···O stretching of molecules linked by hydrogen bonds. The analysis of the geometry of water clusters confined between two graphite surfaces has been performed using ab initio methods. The ab initio calculations yield two preferential orientations of water molecules which are; 1) one O-H bond points to the surface and the other is parallel; 2) both O-H bonds are parallel to the surface. These orientations agree with those found in our MD simulation results. The calculated energy barriers for proton transfer of the confined H3O-(H2O) complexes between two graphite model surfaces suggest that the confinement enhances the proton transfer at the separation 6-14.5 Å. When the confinement is high, at a separation of 4 Å, the barrier energies are extremely large. The confinement does not enhance proton transfer when the H3O-(H2O) complexes are located further from the surfaces by more than 8 Å. As a result, the barrier energies start to increase at the separation of 20 Å.
Download or read book Glass Transition and Phase Transitions in Food and Biological Materials written by Jasim Ahmed and published by John Wiley & Sons. This book was released on 2017-02-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Glass and State Transitions in Food and Biological Materials describes how glass transition has been applied to food micro-structure, food processing, product development, storage studies, packaging development and other areas. This book has been structured so that readers can initially grasp the basic principles and instrumentation, before moving through the various applications. In summary, the book will provide the “missing link” between food science and material science/polymer engineering. This will allow food scientists to better understand the concept and applications of thermal properties.
Download or read book Ultrafast Infrared Vibrational Spectroscopy written by Michael D. Fayer and published by CRC Press. This book was released on 2013-03-04 with total page 491 pages. Available in PDF, EPUB and Kindle. Book excerpt: The advent of laser-based sources of ultrafast infrared pulses has extended the study of very fast molecular dynamics to the observation of processes manifested through their effects on the vibrations of molecules. In addition, non-linear infrared spectroscopic techniques make it possible to examine intra- and intermolecular interactions and how such interactions evolve on very fast time scales, but also in some instances on very slow time scales. Ultrafast Infrared Vibrational Spectroscopy is an advanced overview of the field of ultrafast infrared vibrational spectroscopy based on the scientific research of the leading figures in the field. The book discusses experimental and theoretical topics reflecting the latest accomplishments and understanding of ultrafast infrared vibrational spectroscopy. Each chapter provides background, details of methods, and explication of a topic of current research interest. Experimental and theoretical studies cover topics as diverse as the dynamics of water and the dynamics and structure of biological molecules. Methods covered include vibrational echo chemical exchange spectroscopy, IR-Raman spectroscopy, time resolved sum frequency generation, and 2D IR spectroscopy. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results. It will serve as an excellent resource for those new to the field, experts in the field, and individuals who want to gain an understanding of particular methods and research topics.
Download or read book Transport and Reactivity of Solutions in Confined Hydrosystems written by Lionel Mercury and published by Springer. This book was released on 2013-11-12 with total page 271 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present work reflects a multi-disciplinary effort to address the topic of confined hydrosystems developed with a cross-fertilization panel of physics, chemists, biologists, soil and earth scientists. Confined hydrosystems include all situations in natural settings wherein the extent of the liquid phase is limited so that the solid-liquid and/or liquid-air interfaces may be critical to the properties of the whole system. Primarily, this so-called “residual” solution is occluded in pores/channels in such a way that decreases its tendency to evaporation, and makes it long-lasting in arid (Earth deserts) and hyper-arid (Mars soils) areas. The associated physics is available from domains like capillarity, adsorption and wetting, and surface forces. However, many processes are still to understand due to the close relationship between local structure and matter properties, the subtle interplay between the host and the guest, the complex intermingling among static reactivity and migration pathway. Expert contributors from Israel, Russia, Europe and US discuss the behaviour of water and aqueous solutes at different scale, from the nanometric range of carbon nanotubes and nanofluidics to the regional scale of aquifers reactive flow in sedimentary basins. This scientific scope allowed the group of participants with very different background to tackle the confinement topic at different scales. The book is organized according to four sections that include: i) flow, from nano- to mega-scale; ii) ions, hydration and transport; iii) in-pores/channels cavitation; iv) crystallization under confinement. Most of contributions relates to experimental works at different resolution, interpreted through classic thermodynamics and intermolecular forces. Simulation techniques are used to explore the atomic scale of interfaces and the migration in the thinnest angstrom-wide channels.
Download or read book Advances in Chemical Physics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 109 in the prestigious Advances in Chemical Physics Series, edited by Nobel Prize winner Ilya Prigogine, and renowned authority Stuart A. Rice, continues to report recent advances in every area of the discipline. Significant, up-to-date chapters by internationally recognized researchers present comprehensive analyses of subjects of interest and encourage the expression of individual points of view. This approach to presenting an overview of a subject will both stimulate new research and serve as a personalized learning text for beginners in the field.
Download or read book Structure and Dynamics of Confined Polymers written by John J. Kasianowicz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymers are essential to biology because they can have enough stable degrees of freedom to store the molecular code of heredity and to express the sequences needed to manufacture new molecules. Through these they perform or control virtually every function in life. Although some biopolymers are created and spend their entire career in the relatively large free space inside cells or organelles, many biopolymers must migrate through a narrow passageway to get to their targeted destination. This suggests the questions: How does confining a polymer affect its behavior and function? What does that tell us about the interactions between the monomers that comprise the polymer and the molecules that confine it? Can we design and build devices that mimic the functions of these nanoscale systems? The NATO Advanced Research Workshop brought together for four days in Bikal, Hungary over forty experts in experimental and theoretical biophysics, molecular biology, biophysical chemistry, and biochemistry interested in these questions. Their papers collected in this book provide insight on biological processes involving confinement and form a basis for new biotechnological applications using polymers. In his paper Edmund DiMarzio asks: What is so special about polymers? Why are polymers so prevalent in living things? The chemist says the reason is that a protein made of N amino acids can have any of 20 different kinds at each position along the chain, resulting in 20 N different polymers, and that the complexity of life lies in this variety.
Download or read book Ice Microfluidics written by Arinori Inagawa and published by Springer. This book was released on 2019-06-08 with total page 125 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the possibility of using micro/nanostructures formed on the doped ice surface as a novel separation platform. In addition, it provides comprehensive information on the nature of freeze-concentrated solutions (FCSs) and the ice/FCS interface, which play important roles in the natural environment and industrial processes alike. The book proposes a novel size-selective separation approach using channels formed on the doped ice surface. The separation is based on the physical interaction of analytes with channel walls, which is controlled by varying the channel width through temperature and dopant concentration changes. It also shows the precise control of the channel width to be in a range of 200 nm–4 μm and demonstrates the size-selective separation of microspheres, cells, and DNA. The physicochemical properties of FCSs are measured to reveal the nature of the ice/FCS interface, and the zeta potentials of ice are measured by determining EOF rates in a microchannel fabricated in the ice. The deprotonation at OH dangling bonds and adsorption of ions are also discussed. The viscosities of FCSs confined in micro/nanospaces are evaluated by means of two spectroscopic methods. When an FCS is confined in small spaces surrounded by ice, the viscosity increases compared to that in a bulk solution. Interestingly, this viscosity enhancement occurs even though its size is on the micrometer scale. These parameters are essential to discussing the unique phenomena occurring in FCSs. This book provides an explanation of the scientific processes taking place in FCSs, and reveals the potential that frozen solutions hold as innovative micro/nanofluidic devices and reaction platforms.
Download or read book Workshop on Water written by and published by . This book was released on 1984 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Neutron Scattering in Earth Sciences written by Hans Rudolf Wenk and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 63 of Reviews in Mineralogy and Geochemistry provides an introduction for those not yet familiar with neutrons by describing basic features of neutrons and their interaction with matter as well illustrating important applications. The volume is divided into 17 Chapters. The first two chapters introduce properties of neutrons and neutron facilities, setting the stage for applications. Some applications rely on single crystals (Chapter 3) but mostly powders (Chapters 4-5) and bulk polycrystals (Chapters 15-16) are analyzed, at ambient conditions as well as low and high temperature and high pressure (Chapters 7-9). Characterization of magnetic structures remains a core application of neutron scattering (Chapter 6). The analysis of neutron data is not trivial and crystallographic methods have been modified to take account of the complexities, such as the Rietveld technique (Chapter 4) and the pair distribution function (Chapter 11). Information is not only obtained about solids but about liquids, melts and aqueous solutions as well (Chapters 11-13). In fact this field, approached with inelastic scattering (Chapter 10) and small angle scattering (Chapter 13) is opening unprecedented opportunities for earth sciences. Small angle scattering also contributes information about microstructures (Chapter 14). Neutron diffraction has become a favorite method to quantify residual stresses in deformed materials (Chapter 16) as well as preferred orientation patterns (Chapter 15). The volume concludes with a short introduction into neutron tomography and radiography that may well emerge as a principal application of neutron scattering in the future (Chapter 17).
