Dynamics in Geometrical Confinement

Dynamics in Geometrical Confinement PDF Author: Friedrich Kremer
Publisher: Springer
ISBN: 3319061003
Category : Technology & Engineering
Languages : en
Pages : 365

Book Description
This book describes the dynamics of low molecular weight and polymeric molecules when they are constrained under conditions of geometrical confinement. It covers geometrical confinement in different dimensionalities: (i) in nanometer thin layers or self supporting films (1-dimensional confinement) (ii) in pores or tubes with nanometric diameters (2-dimensional confinement) (iii) as micelles embedded in matrices (3-dimensional) or as nanodroplets. The dynamics under such conditions have been a much discussed and central topic in the focus of intense worldwide research activities within the last two decades. The present book discusses how the resulting molecular mobility is influenced by the subtle counterbalance between surface effects (typically slowing down molecular dynamics through attractive guest/host interactions) and confinement effects (typically increasing the mobility). It also explains how these influences can be modified and tuned, e.g. through appropriate surface coatings, film thicknesses or pore diameters. "Dynamics in Confinement" sums up the present state-of-the-art and introduces to the analytical methods of choice for the study of dynamics in nanometer-scale confinement.

Dynamics of Water and Aqueous Solutions in Geometrical Confinement

Dynamics of Water and Aqueous Solutions in Geometrical Confinement PDF Author: Matthias Sattig
Publisher:
ISBN:
Category :
Languages : en
Pages :

Book Description


International Workshop on Dynamics in Confinement

International Workshop on Dynamics in Confinement PDF Author: B. Frick
Publisher:
ISBN:
Category : Electronic books
Languages : en
Pages : 372

Book Description


Dynamics in Small Confining Systems III: Volume 464

Dynamics in Small Confining Systems III: Volume 464 PDF Author: J. M. Drake
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 408

Book Description
Interfacial science has rapidly expanded beyond the original realm of chemistry to include physics, mechanical and chemical engineering, biology, materials science, and other specialized subfields. This book in a series from MRS emphasizes the effects of confinement on the physical and chemical properties of equilibrium and nonequilibrium systems. Of particular interest is the question of how nearby surfaces or ultra-small geometries can force a system to behave in ways significantly different than it behaves in bulk. Theoretical, experimental and computational evidence of the effects of confinement on gaseous, liquid and solid systems is presented. Topics include: probing confined systems; structure and dynamics of liquids at interfaces; nanorheology and tribology; adsorption; diffusion in porous systems and reaction dynamics.

International Workshop on Dynamics in Confinement

International Workshop on Dynamics in Confinement PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :

Book Description


Molecular Dynamics Simulations of Molecules Under Confined Geometry

Molecular Dynamics Simulations of Molecules Under Confined Geometry PDF Author: Xiang Yang Guo
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

Book Description
MCM41, ethanol-water, confinement, DPPC, fluorophilic, polyphile, molecular dynamics simulations, force field.

Glassy Dynamics in Hard and Soft Confinement

Glassy Dynamics in Hard and Soft Confinement PDF Author: Thomas Blochowicz
Publisher:
ISBN:
Category :
Languages : en
Pages : 144

Book Description


Non-equilibrium Phenomena in Confined Soft Matter

Non-equilibrium Phenomena in Confined Soft Matter PDF Author: Simone Napolitano
Publisher: Springer
ISBN: 3319219480
Category : Science
Languages : en
Pages : 302

Book Description
This book deals with those properties of non-equilibrium soft matter that deviate greatly from the bulk properties as a result of nanoscale confinement.The ultimate physical origin of these confinement effects is not yet fully understood. At the state of the art, the discussion on confinement effects focuses on equilibrium properties, finite size effects and interfacial interactions. However this is a limited vision which does not fully capture the peculiar behaviour of soft matter under confinement and some exotic phenomena that are displayed. This volume will be organized in the following three main themes. Equilibration and physical aging: treating non-equilibrium via the formal methodology of statistical physics in bulk, we analyse physical origin of the non-equilibrium character of thin polymer. We then focus on the impact of nanoconfinement on the equilibration of glasses of soft matter (a process of tremendous technological interest, commonly known as physical aging), comparing the latest trends of polymers in experiments, simulations with those of low-molecular weight glass formers. Irreversible adsorption: the formation of stable adsorbed layers occurs at timescales much larger than the time necessary to equilibrate soft matter in bulk. Recent experimental evidence show a strong correlation between the behaviour of polymers under confinement and the presence of a layer irreversibly adsorbed onto the substrate. This correlation hints at the possibility to tailor the properties of ultrathin films by controlling the adsorption kinetics. The book reports physical aspects of irreversible chain adsorption, such as the dynamics, structure, morphology, and crystallization of adsorbed layers. Glass transition and material properties: this section of the book focuses on the spread of absolute values in materials properties of confined systems, when measured by different experimental and computation techniques and a new method to quantify the effects of confinement in thin films and nanocomposites independently on the investigation procedure will be presented.

Effects of Confinement on Water Structure and Dynamics and on Proton Transport

Effects of Confinement on Water Structure and Dynamics and on Proton Transport PDF Author: Pussana Hirunsit
Publisher:
ISBN:
Category :
Languages : en
Pages :

Book Description
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.

Spin Wave Confinement

Spin Wave Confinement PDF Author: Sergej O. Demokritov
Publisher: Pan Stanford Publishing
ISBN: 9814241067
Category : Science
Languages : en
Pages : 240

Book Description
This book presents recent scientific achievements in the investigation of magnetization dynamics in confined magnetic systems. The book will be of value for scientists and engineers working on magnetic storage elements and magnetic logic, and is also suitable as an advanced textbook for graduate students.