Molecular Simulation of Processes at Fluid Interfaces and Electrolyte Solutions PDF Download

Author: Dominik Schäfer
Publisher:
ISBN: 9783944433431
Category :
Languages : en
Pages : 0

View

Book Description

Author: Mohammad Taeibi Rahni
Publisher: CRC Press
ISBN: 1498722091
Category : Science
Languages : en
Pages : 549

View

Book Description
Computational Methods for Complex Liquid-Fluid Interfaces highlights key computational challenges involved in the two-way coupling of complex liquid-fluid interfaces. The book covers a variety of cutting-edge experimental and computational techniques ranging from macro- to meso- and microscale approaches (including pivotal applications). As example

Author: Keith E. Gubbins
Publisher: Taylor & Francis
ISBN: 9789056990053
Category : Molecules
Languages : en
Pages : 568

View

Book Description
First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.

Author: Alexander G. Volkov
Publisher: CRC Press
ISBN: 1000099032
Category : Medical
Languages : en
Pages : 448

View

Book Description
Update your knowledge of the chemical, biological, and physical properties of liquid-liquid interfaces with Liquid-Liquid Interfaces: Theory and Methods. This valuable reference presents a broadly based account of current research in liquid-liquid interfaces and is ideal for researchers, teachers, and students. Internationally recognized investigators of electrochemical, biological, and photochemical effects in interfacial phenomena share their own research results and extensively review the results of others working in their area. Because of its unusually wide breadth, this book has something for everyone interested in liquid-liquid interfaces. Topics include interfacial and phase transfer catalysis, electrochemistry and colloidal chemistry, ion and electron transport processes, molecular dynamics, electroanalysis, liquid membranes, emulsions, pharmacology, and artificial photosynthesis. Enlightening discussions explore biotechnological applications, such as drug delivery, separation and purification of nuclear waste, catalysis, mineral extraction processes, and the manufacturing of biosensors and ion-selective electrodes. Liquid-Liquid Interfaces: Theory and Methods is a well-written, informative, one-stop resource that will save you time and energy in your search for the latest information on liquid-liquid interfaces.

Author: Lloyd L. Lee
Publisher: World Scientific
ISBN: 9812814183
Category : Science
Languages : en
Pages : 264

View

Book Description
The introductory textbook provides an update on electrolyte thermodynamics with a molecular perspective. It is eminently suited as an introduction to the solution thermodynamics of ionic mixtures at the undergraduate and graduate level. It is also invaluable for the understanding and design in the engineering of natural gas treating and adsorption refrigeration with electrolytes.

Author: Christopher D. Taylor
Publisher: John Wiley & Sons
ISBN: 1118266153
Category : Science
Languages : en
Pages : 276

View

Book Description
Presents opportunities for making significant improvements in preventing harmful effects that can be caused by corrosion Describes concepts of molecular modeling in the context of materials corrosion Includes recent examples of applications of molecular modeling to corrosion phenomena throughout the text Details how molecular modeling can give insights into the multitude of interconnected and complex processes that comprise the corrosion of metals Covered applications include diffusion and electron transfer at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating surface chemistry, and properties of passive films Presents current challenges and likely developments in this field for the future

Author: Hitoshi Watarai
Publisher: Springer Science & Business Media
ISBN: 038727541X
Category : Science
Languages : en
Pages : 328

View

Book Description
The history of the liquid-liquid interface on the earth might be as old as that of the liquid. It is plausible that the generation of the primitive cell membrane is responsible for an accidental advent of the oldest liquid interfaces, since various compounds can be concentrated by an adsorption at the interface. The presence of liquid-liquid interface means that real liquids are far from ideal liquids that must be miscible with any kinds of liquids and have no interface. Thus it can be said that the non-ideality of liquids might generate the liquid-liquid interface indeed and that biological systems might be generated from the non-ideal interface. The liquid-liquid interface has been, therefore, studied as a model of biological membrane. From pairing two-phases of gas, liquid and solid, nine different pairs can be obtained, which include three homo-pairs of gas-gas, liquid-liquid and solid-solid pairs. The gas-gas interface, however, is practically no use under the ordinary conditions. Among the interfaces produced by the pairing, the liquid-liquid interface is most slippery and difficult to be studied experimentally in comparison with the gas-liquid and solid-liquid interfaces, as the liquid-liquid interface is flexible, thin and buried between bulk liquid phases. Therefore, in order to study the liquid-liquid interface, the invention of innovative measurement methods has a primary importance.

Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0470126167
Category : Science
Languages : en
Pages : 434

View

Book Description
VOLUME 12 REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz and Donald B. Boyd HOW DOES ONE COMPUTE FREE ENERGY AND ENTROPY FROM MOLECULAR SIMULATIONS? WHAT HAPPENS WHEN SIMULATIONS ARE RUN WITH CONSTRAINTS? HOW SHOULD SIMULATIONS BE PERFORMED TO MODEL INTERFACIAL PHENOMENA? HOW IS DENSITY FUNCTIONAL THEORY USED TO SIMULATE MATERIALS? WHAT QUANTUM MECHANICAL METHODS SHOULD BE USED TO COMPUTE NONLINEAR OPTICAL PROPERTIES OF MATERIALS? WHICH PARAMETERS ARE MOST INFLUENTIAL IN A MOLECULAR SIMULATION? HOW CAN CRYSTAL STRUCTURES BE PREDICTED? TUTORIALS PROVIDING ANSWERS TO THESE QUESTIONS ARE THE FOCUS OF THIS BOOK. FROM REVIEWS OF THE SERIES "The series continues to be one of the most useful information sources." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Author: Michael F. Hochella
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 1501509136
Category : Science
Languages : en
Pages : 620

View

Book Description
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).

Author: Malgorzata Borowko
Publisher: CRC Press
ISBN: 1420030035
Category : Science
Languages : en
Pages : 958

View

Book Description
This volume presents computer simulation methods and mathematical modelling of physical processes used in surface science research. It offers in-depth analysis of advanced theoretical approaches to behaviours of fluids in contact with porous, semiporous and nonporous solid surfaces. The book also explores interfacial systems for a wide variety of p