Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations
Authors: Samios, Jannis, Durov, Vladimir A.
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- About this book
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The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.
- Table of contents (26 chapters)
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Intermolecular Interactions and Cooperative Effects from Electronic Structure Calculations: An Effective Means for Developing Interaction Potentials for Condensed Phase Simulations
Pages 1-15
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Models in Theory of Molecular Liquid Mixtures: Structure, Dynamics, and Physicochemical Properties
Pages 17-40
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Classical Versus Quantum Mechanical Simulations: The Accuracy of Computer Experiments in Solution Chemistry
Pages 41-52
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Basic Concepts and Trends in ab Initio Molecular Dynamics
Pages 53-91
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Concepts of Ionic Solvation
Pages 93-110
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Table of contents (26 chapters)
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Bibliographic Information
- Bibliographic Information
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- Book Title
- Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations
- Authors
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- Jannis Samios
- Vladimir A. Durov
- Series Title
- NATO Science Series II: Mathematics, Physics and Chemistry
- Series Volume
- 133
- Copyright
- 2004
- Publisher
- Springer Netherlands
- Copyright Holder
- Springer Science+Business Media Dordrecht
- eBook ISBN
- 978-1-4020-2384-2
- DOI
- 10.1007/978-1-4020-2384-2
- Hardcover ISBN
- 978-1-4020-1846-6
- Softcover ISBN
- 978-1-4020-1847-3
- Series ISSN
- 1568-2609
- Edition Number
- 1
- Number of Pages
- XII, 548
- Topics
