Exploring Life Phenomena with Statistical Mechanics of Molecular Liquids

Exploring Life Phenomena with Statistical Mechanics of Molecular Liquids

Author: Fumio Hirata

Publisher: CRC Press

Published: 2020-02-12

Total Pages: 299

ISBN-13: 1351201425

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In a living body, a variety of molecules are working in a concerted manner to maintain its life, and to carry forward the genetic information from generation to generation. A key word to understand such processes is "water," which plays an essential role in life phenomena. This book sheds light on life phenomena, which are woven by biomolecules as warp and water as weft, by means of statistical mechanics of molecular liquids, the RISM and 3D-RISM theories, both in equilibrium and non-equilibrium. A considerable number of pages are devoted to basics of mathematics and physics, so that students who have not majored in physics may be able to study the book by themselves. The book will also be helpful to those scientists seeking better tools for the computer-aided-drug-discovery. Explains basics of the statistical mechanics of molecular liquids, or RISM and 3D-RISM theories, and its application to water. Provides outline of the generalized Langevin theory and the linear response theory, and its application to dynamics of water. Applies the theories to functions of biomolecular systems. Applies the theories to the computer aided drug design. Provides a perspective for future development of the method.


Classical and Molecular Thermodynamics of Fluid Systems

Classical and Molecular Thermodynamics of Fluid Systems

Author: Juan H. Vera

Publisher: CRC Press

Published: 2024-11-14

Total Pages: 564

ISBN-13: 1040132774

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This text explores the connections between different thermodynamic subjects related to fluid systems. In an innovative way, it covers the subject from first principles to the state of the art in fundamental and applied topics. Using simple nomenclature and algebra, it clarifies concepts by returning to the conceptual foundation of thermodynamics. The structural elements of classical and molecular thermodynamics of fluid systems presented cover, via examples and references, both the usefulness and the limitations of thermodynamics for the treatment of practical problems. This new edition explores recent advances in statistical associated fluid theories and contains creative end‐of‐chapter problems connecting the theory with real‐life situations. It includes new chapters on thermodynamics of polymer solutions and molecular thermodynamics and also presents advances in the study of the activity of individual ions. Provides a concise structure of concepts, using simple nomenclature and algebra Clarifies problems usually overlooked by standard texts Features end‐of‐chapter problems to enhance the reader’s understanding of the concepts Includes diverse topics of interest to researchers and advanced students, including elements of statistical thermodynamics, models of solutions, statistical associated fluid theory and the activity of individual ions Offers four appendices giving step‐by‐step procedures and parameters for direct use of the PRSV equation of state and the ASOG‐KT group method for fugacity and activity coefficient calculations Features a complete set of solutions to problems throughout the book, available for download on the book’s webpage under "Support Material" This textbook is written for advanced undergraduate and graduate students studying chemical engineering and chemistry as well as for practicing engineers and researchers.


Fundamentals and Practice in Statistical Thermodynamics

Fundamentals and Practice in Statistical Thermodynamics

Author: Jianzhong Wu

Publisher: John Wiley & Sons

Published: 2024-07-17

Total Pages: 773

ISBN-13: 1394161441

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Bridge the gap between thermodynamic theory and engineering practice with this essential textbook Thermodynamics is a discipline which straddles the fields of chemistry, physics, and engineering, and has long been a mainstay of undergraduate and graduate curricula. Conventional thermodynamics courses, however, often ignore modern developments in statistical mechanics, such as molecular simulation methods, cooperative phenomena, phase transitions, universality, as well as liquid-state and polymer theories, despite their close relevance to both fundamental research and engineering practice. Fundamentals and Practice in Statistical Thermodynamics fills this gap with an essential book that applies up-to-date statistical-mechanical techniques to address the most crucial thermodynamics problems found in chemical and materials systems. It is ideally suited to introduce a new generation of researchers and molecular engineers to modern thermodynamic topics with numerous cutting-edge applications. From Fundamentals and Practice in Statistical Thermodynamics readers will also find: An introduction to statistical-mechanical methods including molecular dynamics simulation, Monte Carlo simulation, as well as the molecular theories of phase transitions, classical fluids, electrolyte solutions, polymeric materials, and more Illustrative examples and exercise problems with solutions to facilitate student understanding Supplementary online materials covering the basics of quantum mechanics, density functional theory, variational principles of classical mechanics, intermolecular interactions, and many more subjects Fundamentals and Practice in Statistical Thermodynamics is ideal for graduate and advanced undergraduate students in chemical engineering, biomolecular engineering, environmental engineering, materials science and engineering, and all related scientific subfields of physics and chemistry.


Molecular Basics of Liquids and Liquid-Based Materials

Molecular Basics of Liquids and Liquid-Based Materials

Author: Katsura Nishiyama

Publisher: Springer Nature

Published: 2022-01-03

Total Pages: 469

ISBN-13: 981165395X

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This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with their properties, dynamics, and functions. Once the use and application of liquids and liquid-based materials are understood, the book becomes a source of the latest, detailed knowledge of their structures, dynamics, and functions emerging from molecularity. The systems discussed in the book have structural dimensions varying from nanometers to millimeters, thus the precise estimation of structures and dynamics from experimental, theoretical, and simulation methods is of crucial importance. Outlines of the practical knowledge needed in research and development are helpfully included in the book.


Water and Biomolecules

Water and Biomolecules

Author: Kunihiro Kuwajima

Publisher: Springer Science & Business Media

Published: 2009-03-18

Total Pages: 316

ISBN-13: 3540887873

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Life is produced by the interplay of water and biomolecules. This book deals with the physicochemical aspects of such life phenomena produced by water and biomolecules, and addresses topics including "Protein Dynamics and Functions", "Protein and DNA Folding", and "Protein Amyloidosis". All sections have been written by internationally recognized front-line researchers. The idea for this book was born at the 5th International Symposium "Water and Biomolecules", held in Nara city, Japan, in 2008.


Statistical Physics of Liquids at Freezing and Beyond

Statistical Physics of Liquids at Freezing and Beyond

Author: Shankar Prasad Das

Publisher: Cambridge University Press

Published: 2011-06-16

Total Pages: 585

ISBN-13: 1139500678

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Exploring important theories for understanding freezing and the liquid-glass transition, this book is useful for graduate students and researchers in soft-condensed matter physics, chemical physics and materials science. It details recent ideas and key developments, providing an up-to-date view of current understanding. The standard tools of statistical physics for the dense liquid state are covered. The freezing transition is described from the classical density functional approach. Classical nucleation theory as well as applications of density functional methods for nucleation of crystals from the melt are discussed, and compared to results from computer simulation of simple systems. Discussions of supercooled liquids form a major part of the book. Theories of slow dynamics and the dynamical heterogeneities of the glassy state are presented, as well as nonequilibrium dynamics and thermodynamic phase transitions at deep supercooling. Mathematical treatments are given in full detail so readers can learn the basic techniques.


Molecular Driving Forces

Molecular Driving Forces

Author: Ken Dill

Publisher: Garland Science

Published: 2010-10-21

Total Pages: 784

ISBN-13: 1136672990

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Molecular Driving Forces, Second Edition E-book is an introductory statistical thermodynamics text that describes the principles and forces that drive chemical and biological processes. It demonstrates how the complex behaviors of molecules can result from a few simple physical processes, and how simple models provide surprisingly accurate insights into the workings of the molecular world. Widely adopted in its First Edition, Molecular Driving Forces is regarded by teachers and students as an accessible textbook that illuminates underlying principles and concepts. The Second Edition includes two brand new chapters: (1) "Microscopic Dynamics" introduces single molecule experiments; and (2) "Molecular Machines" considers how nanoscale machines and engines work. "The Logic of Thermodynamics" has been expanded to its own chapter and now covers heat, work, processes, pathways, and cycles. New practical applications, examples, and end-of-chapter questions are integrated throughout the revised and updated text, exploring topics in biology, environmental and energy science, and nanotechnology. Written in a clear and reader-friendly style, the book provides an excellent introduction to the subject for novices while remaining a valuable resource for experts.


Annual Review

Annual Review

Author: 岡崎国立共同研究機構分子科学研究所

Publisher:

Published: 2002

Total Pages: 330

ISBN-13:

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Bulletin of the Atomic Scientists

Bulletin of the Atomic Scientists

Author:

Publisher:

Published: 1961-05

Total Pages: 88

ISBN-13:

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The Bulletin of the Atomic Scientists is the premier public resource on scientific and technological developments that impact global security. Founded by Manhattan Project Scientists, the Bulletin's iconic "Doomsday Clock" stimulates solutions for a safer world.


The Molecular Theory of Gases and Liquids

The Molecular Theory of Gases and Liquids

Author: Joseph O. Hirschfelder

Publisher: John Wiley & Sons

Published: 1964-01-15

Total Pages: 1283

ISBN-13: 0471400653

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An essential cross-disciplinary reference for molecular interactions Molecular Theory of Gases and Liquids offers a rigorous, comprehensive treatment of molecular characteristics and behaviors in the gaseous and fluid states. A unique cross-disciplinary approach provides useful insight for students of chemistry, chemical engineering, fluid dynamics, and a variety of related fields, with thorough derivations and in-depth explanations throughout. Appropriate for graduate students and working scientists alike, this book details advanced concepts without sacrificing depth of coverage or technical detail.