Author: Jong K. LeePublisher:
ISBN:
Category :
Languages : en
Pages : 18
Book Description
Surface Tension: Perturbation Theory and Monte-carlo Calculation
Author: Jong K. LeeA New Monte-carlo Method for Calculating Surface Tension
Author: J. MiyazakiA Monte Carlo Method for the Calculation of the Surface Tension of Air-water and Lipid-water Interfaces
Author: Chyuan-Yih LeeFree Energy Calculations
Author: Christophe ChipotPublisher: Springer Science & Business Media
ISBN: 3540384480
Category : Science
Languages : en
Pages : 528
Book Description
This volume offers a coherent account of the concepts that underlie different approaches devised for the determination of free energies. It provides insight into the theoretical and computational foundations of the subject and presents relevant applications from molecular-level modeling and simulations of chemical and biological systems. The book is aimed at a broad readership of graduate students and researchers.
Improved Oil Recovery by Surfactant and Polymer Flooding
Author: D.O. ShahPublisher: Elsevier
ISBN: 0323141579
Category : Technology & Engineering
Languages : en
Pages : 589
Book Description
Improved Oil Recovery by Surfactant and Polymer Flooding contains papers presented at the 1976 AIChE Symposium on Improved Oil Recovery by Surfactant and Polymer Flooding held in Kansas City. Organized into 18 chapters, the book includes papers that introduce petroleum reservoirs and discuss interfacial tension; molecular forces; molecular aspects of ultralow interfacial tension; the structure, formation, and phase inversion of microemulsions; and thermodynamics of micellization and related phenomena. Papers on adsorption phenomena at solid/liquid interfaces and reservoir rocks, as well as on flow through porous media studies on polymer solutions, microemulsions, and soluble oils are also provided. Significant topics on molecular, microscopic, and macroscopic aspects of oil displacement in porous media by surfactant and polymer solutions and related phenomena are also discussed. The literature cited in this book forms a comprehensive list of references in relation to improved oil recovery by surfactant and polymer flooding. This book will be useful to experts and non-experts in this field of research.
Perturbation Theories for the Thermodynamic Properties of Fluids and Solids
Author: J. R. SolanaPublisher: CRC Press
ISBN: 1439807752
Category : Science
Languages : en
Pages : 408
Book Description
This book, Perturbation Theories for the Thermodynamic Properties of Fluids and Solids, provides a comprehensive review of current perturbation theories—as well as integral equation theories and density functional theories—for the equilibrium thermodynamic and structural properties of classical systems. Emphasizing practical applications, the text avoids complex theoretical derivations as much as possible. It begins with discussions of the nature of intermolecular forces and simple potential models. The book also presents a summary of statistical mechanics concepts and formulae. In addition, it reviews simulation techniques, providing background for the performance analyses of theories executed throughout the text using simulation data. Chapters describe integral equation theories, theoretical approaches for hard-sphere fluid or solid systems, and perturbation theories for simple fluids and solids for monocomponent and multicomponent systems. They also cover density functional theories for inhomogeneous systems and perturbative and nonperturbative approaches to describe the structure and thermodynamics of hard-body molecular fluids. The final chapter examines several more challenging systems, such as fluids near the critical point, liquid metals, molten salts, colloids, and aqueous protein solutions. This book offers a thorough account of the available equilibrium theories for the thermodynamic and structural properties of fluids and solids, with special focus on perturbation theories, emphasizing their applications, strengths, and weaknesses. Appropriate for experienced researchers as well as postgraduate students, the text presents a wide-ranging yet detailed view and provides a useful guide to the application of the theories described.
Physical Chemistry of Gas-Liquid Interfaces
Author: Jennifer A. FaustPublisher: Elsevier
ISBN: 0128136421
Category : Science
Languages : en
Pages : 492
Book Description
Physical Chemistry of Gas-Liquid Interfaces, the first volume in the Developments in Physical & Theoretical Chemistry series, addresses the physical chemistry of gas transport and reactions across liquid surfaces. Gas–liquid interfaces are all around us, especially within atmospheric systems such as sea spry aerosols, cloud droplets, and the surface of the ocean. Because the reaction environment at liquid surfaces is completely unlike bulk gas or bulk liquid, chemists must readjust their conceptual framework when entering this field. This book provides the necessary background in thermodynamics and computational and experimental techniques for scientists to obtain a thorough understanding of the physical chemistry of liquid surfaces in complex, real-world environments. 2019 PROSE Awards - Winner: Category: Chemistry and Physics: Association of American Publishers Provides an interdisciplinary view of the chemical dynamics of liquid surfaces, making the content of specific use to physical chemists and atmospheric scientists Features 100 figures and illustrations to underscore key concepts and aid in retention for young scientists in industry and graduate students in the classroom Helps scientists who are transitioning to this field by offering the appropriate thermodynamic background and surveying the current state of research
Theory of Molecular Fluids
Author: C. G. GrayPublisher: International Monographs on Ch
ISBN: 0198556217
Category : Science
Languages : en
Pages : 785
Book Description
Existing texts on liquid theory are limited to simple liquids of spherical molecules, but nearly all liquids of practical interest have molecules that are non-spherical, resulting in more diverse phenomena. This text is the first to provide the molecular theory for such liquids, and describes applications to a wide range of physical properties.
Computer Simulation of Liquids
Author: M. P. AllenPublisher: Oxford University Press
ISBN: 0198803192
Category : Computers
Languages : en
Pages : 641
Book Description
This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave in liquid state. This essential introduction to this rapidly growing field is complete with illustrative computer code.
Theory of Molecular Fluids
Author: Christopher G. GrayPublisher: Oxford University Press
ISBN: 0191004871
Category : Science
Languages : en
Pages : 785
Book Description
Existing texts on the statistical mechanics of liquids treat only spherical molecules. However, nearly all fluids of practical interest are composed of non-spherical molecules that are often dipolar or exhibit other kinds of electrostatic forces. This book describes the statistical mechanical theory of fluids of non-spherical molecules and its application to the calculation of physical properties, and is a sequel to Theory of Molecular Fluids. Volume 1: Fundamentals by C.G. Gray and K.E. Gubbins. The emphasis is on the new phenomena that arise due to the non-spherical nature of the intermolecular forces, such as new phase transitions, structural features and dielectric effects. It contains chapters on the thermodynamic properties of pure and mixed fluids, surface properties, X-ray and neutron diffraction structure factors, dielectric properties and spectroscopic properties. The book is aimed at beginning graduate students and research workers in chemistry, physics, materials science and engineering.