Author: Klaus Lucas
Publisher: Cambridge University Press
ISBN: 1139462202
Category : Technology & Engineering
Languages : en
Pages : 407
Book Description
This book presents the development of modern molecular models for fluids from the interdisciplinary fundamentals of classical and statistical mechanics, of electrodynamics and of quantum mechanics. The concepts and working equations of the various fields are briefly derived and illustrated in the context of understanding the properties of molecular systems. Special emphasis is devoted to the quantum mechanical basis, since this is used throughout in the calculation of the molecular energy of a system. The book is application oriented. It stresses those elements that are essential for practical model development. The fundamentals are then used to derive models for various types of applications. Finally, equation of state models are presented based on quantum chemically based models for the intermolecular potential energy and perturbation theory. The book is suited for graduate courses in chemical and mechanical engineering, physics and chemistry, but may also, by proper selection, be found useful on the undergraduate level.
Molecular Models for Fluids
Author: Klaus Lucas
Publisher: Cambridge University Press
ISBN: 1139462202
Category : Technology & Engineering
Languages : en
Pages : 407
Book Description
This book presents the development of modern molecular models for fluids from the interdisciplinary fundamentals of classical and statistical mechanics, of electrodynamics and of quantum mechanics. The concepts and working equations of the various fields are briefly derived and illustrated in the context of understanding the properties of molecular systems. Special emphasis is devoted to the quantum mechanical basis, since this is used throughout in the calculation of the molecular energy of a system. The book is application oriented. It stresses those elements that are essential for practical model development. The fundamentals are then used to derive models for various types of applications. Finally, equation of state models are presented based on quantum chemically based models for the intermolecular potential energy and perturbation theory. The book is suited for graduate courses in chemical and mechanical engineering, physics and chemistry, but may also, by proper selection, be found useful on the undergraduate level.
Publisher: Cambridge University Press
ISBN: 1139462202
Category : Technology & Engineering
Languages : en
Pages : 407
Book Description
This book presents the development of modern molecular models for fluids from the interdisciplinary fundamentals of classical and statistical mechanics, of electrodynamics and of quantum mechanics. The concepts and working equations of the various fields are briefly derived and illustrated in the context of understanding the properties of molecular systems. Special emphasis is devoted to the quantum mechanical basis, since this is used throughout in the calculation of the molecular energy of a system. The book is application oriented. It stresses those elements that are essential for practical model development. The fundamentals are then used to derive models for various types of applications. Finally, equation of state models are presented based on quantum chemically based models for the intermolecular potential energy and perturbation theory. The book is suited for graduate courses in chemical and mechanical engineering, physics and chemistry, but may also, by proper selection, be found useful on the undergraduate level.
Molecular Modeling and Simulation of Real Fluids for Applications in Process Engineering
Molecular Liquids: New Perspectives in Physics and Chemistry
Author: José Teixeira
Publisher: Springer Science & Business Media
ISBN: 9401128324
Category : Science
Languages : en
Pages : 570
Book Description
In its combination of an advanced teaching standpoint with an emphasis on new perspectives and recent advances in the study of liquids formed by simple molecules, Molecular Liquids: New Perspectives in Physics and Chemistry provides a clear, understandable guide through the complexities of the subject. A wide range of topics is covered in the areas of intermolecular forces, statistical mechanics, the microscopic dynamics of simple liquids, thermodynamics of solutions, nonequilibrium molecular dynamics, molecular models for transport and relaxation in fluids, liquid simulations, statistical band shape theories, conformational studies, fast-exchange dynamics, and hydrogen bonding. The experimental techniques covered include: neutron scattering, X-ray diffraction, IR, Raman, NMR, quasielastic neutron scattering, and high-precision, time-resolved coherent Raman spectroscopy.
Publisher: Springer Science & Business Media
ISBN: 9401128324
Category : Science
Languages : en
Pages : 570
Book Description
In its combination of an advanced teaching standpoint with an emphasis on new perspectives and recent advances in the study of liquids formed by simple molecules, Molecular Liquids: New Perspectives in Physics and Chemistry provides a clear, understandable guide through the complexities of the subject. A wide range of topics is covered in the areas of intermolecular forces, statistical mechanics, the microscopic dynamics of simple liquids, thermodynamics of solutions, nonequilibrium molecular dynamics, molecular models for transport and relaxation in fluids, liquid simulations, statistical band shape theories, conformational studies, fast-exchange dynamics, and hydrogen bonding. The experimental techniques covered include: neutron scattering, X-ray diffraction, IR, Raman, NMR, quasielastic neutron scattering, and high-precision, time-resolved coherent Raman spectroscopy.
Molecular Models for Fluid Mixtures and Their Large Scale Dynamics
Molecular Modeling and Simulation of Hydrogen Bonding Pure Fluids and Mixtures
Author: Thorsten Schnabel
Publisher: Logos Verlag Berlin GmbH
ISBN: 3832519459
Category :
Languages : en
Pages : 174
Book Description
Publisher: Logos Verlag Berlin GmbH
ISBN: 3832519459
Category :
Languages : en
Pages : 174
Book Description
Development of Molecular Models of Real Fluids for Applications in Process Engineering
Author: Bernhard Eckl
Publisher:
ISBN: 9783183912032
Category :
Languages : en
Pages : 138
Book Description
Publisher:
ISBN: 9783183912032
Category :
Languages : en
Pages : 138
Book Description
Coarse Graining of Molecular Models for Fluids in Porous Materials
Author: Bradd Libby
Publisher:
ISBN:
Category : Chemical engineering
Languages : en
Pages :
Book Description
Publisher:
ISBN:
Category : Chemical engineering
Languages : en
Pages :
Book Description
Theory of Molecular Fluids
Author: Christopher G. Gray
Publisher: 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.
Publisher: 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.
Fluid Properties at Nano/Meso Scale
Author: Peter Dyson
Publisher: John Wiley & Sons
ISBN: 0470697377
Category : Technology & Engineering
Languages : en
Pages : 238
Book Description
Today’s scientific and engineering community has a good grasp on how to model fluid flows at macro and molecular scales, with well-developed theory and supporting technologies. Between these two extremes lies the nano/meso scale (i.e. in the range of 50nm-500nm) where fluid flow models continue to be problematic. Continuum models used at macro scales assume a negligible influence from molecular interactions, while molecular models do not predict flow well at nano/meso dimensions. The solution, and the subject of this book, is to use elements from both to capture correctly the proper physics (from the molecular scale) and provide a description in terms of useful fluid properties (as characterized on the continuum scale). Fluid Properties at Nano/Meso Scale is based on the authors’ past five years’ research that has yielded new innovations in fluid simulation strategies at the nano/meso scale. The authors approach this subject in a straightforward and easy to understand format, providing a first step into the subject for researchers at all levels. They present new tools that allow the numerical computation of fluid properties from first principles, enabling the reader to begin to model successfully fluids at nano/meso scale. It is hoped that these first steps will engender the further development and advancement of simulation techniques at this scale, and keep engineering simulation at the cutting edge of technology. Presents internationally leading developments in the field of fluid properties at nano/meso scale Provides the reader with the first steps to fluid modelling at nano/meso-scales as well as state-of-the-art applications Includes innovative and new simulation techniques along with a detailed examination of existing numerical methods
Publisher: John Wiley & Sons
ISBN: 0470697377
Category : Technology & Engineering
Languages : en
Pages : 238
Book Description
Today’s scientific and engineering community has a good grasp on how to model fluid flows at macro and molecular scales, with well-developed theory and supporting technologies. Between these two extremes lies the nano/meso scale (i.e. in the range of 50nm-500nm) where fluid flow models continue to be problematic. Continuum models used at macro scales assume a negligible influence from molecular interactions, while molecular models do not predict flow well at nano/meso dimensions. The solution, and the subject of this book, is to use elements from both to capture correctly the proper physics (from the molecular scale) and provide a description in terms of useful fluid properties (as characterized on the continuum scale). Fluid Properties at Nano/Meso Scale is based on the authors’ past five years’ research that has yielded new innovations in fluid simulation strategies at the nano/meso scale. The authors approach this subject in a straightforward and easy to understand format, providing a first step into the subject for researchers at all levels. They present new tools that allow the numerical computation of fluid properties from first principles, enabling the reader to begin to model successfully fluids at nano/meso scale. It is hoped that these first steps will engender the further development and advancement of simulation techniques at this scale, and keep engineering simulation at the cutting edge of technology. Presents internationally leading developments in the field of fluid properties at nano/meso scale Provides the reader with the first steps to fluid modelling at nano/meso-scales as well as state-of-the-art applications Includes innovative and new simulation techniques along with a detailed examination of existing numerical methods
Molecular-based Study of Fluids
Author: J. M. Haile
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 544
Book Description
Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 544
Book Description
Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.