Clathrate Hydrates

Clathrate hydrates are crystalline water-based solids that look like ice and can carry other type of materials, either gas or liquid. Such molecules are trapped inside the cages of hydrogen bonded, frozen water molecules and keep the complexes stable. Typically, low molecular weight or natural gases can be found inside the complexes, such as oxygen, carbon dioxide and short hydrocarbons, like methane.
As hydrate science has advanced, studying the molecule level details of the hydrates for a large variety of guest molecules has been enabled. This level of molecular detail can lead to a revisiting of some accepted notions on the behavior and structure of hydrate materials. Bringing these new insights to the attention of the community of hydrate researchers will be beneficial to advancing further research.

Autorentext

*John A. Ripmeester is Principal Research Officer (retired), Steacie Institute for Molecular Sciences, National Research Council of Canada (NRC), Ottawa, Canada. He has more than fifty years of research experience in clathrates and inclusion compounds, porous materials, supramolecular materials, materials characterization, and solid-state nuclear magnetic resonance. He is a Fellow of the Royal Society of Canada and the author or co-author of more than 750 journal and conference papers.*

*Saman Alavi is an Adjunct Professor at the Department of Chemistry and Biomolecular Sciences, University of Ottawa, in Ottawa, Canada. He is the author of more than 150 journal and conference papers. Dr. Alavi's current research activities center on simulations of clathrate hydrate materials.*

Klappentext
All-inclusive reference on clathrate hydrates from a molecular perspective Clathrate hydrates are crystalline water-based inclusion compounds many of which form at high pressures and low temperatures. Molecular science has provided the foundation for many areas of modern hydrate research and applications ranging from desalination processes to flow assurance in oil and gas pipelines. Clathrate Hydrates provides detailed information on the molecular science aspects of hydrate research, covering the structural, compositional, spectroscopic, thermodynamic, and mechanical properties of clathrate hydrates as well as simulation methods and selected engineering applications. Edited and authored by recognized leaders in the field, this comprehensive resource introduces readers to clathrate hydrates and reviews the state-of-the-art of the field. In-depth chapters address different areas of specialization such as characterization of clathrate hydrates using NMR spectroscopy, infrared and Raman spectroscopy, and X-ray and neutron diffraction and scattering.

• Highlights recent developments in clathrate hydrate research and applications such as natural gas recovery, desalination, and gas separation
• Reviews various molecular simulation methods for characterizing clathrate hydrates, including quantum mechanical calculations and Monte Carlo results
• Contains tables of known guest molecules, summaries of structural and physical properties, and different classes of clathrate hydrate phase equilibria
• Introduces unconventional guest-host interactions, related non-hydrate clathrates, and space-filling cages using the Frank-Kasper approach
• Covers the molecular motion of guest and host molecules and the relationship between cage geometry and guest dynamics
• Presents the rate and mechanisms of hydrate formation and decomposition from both macroscopic and microscopic points Clathrate Hydrates: Molecular Science and Characterization is an indispensable reference for materials scientists, physical chemists, chemical engineers, geochemists, and graduate students in relevant areas of science and engineering.

Inhalt
INTRODUCTION AND SCOPE
CLASSIFICATION OF CLATHRATE HYDRATES
Hydrates as Inclusion Compounds
Guest Chemistry
Phase Equilibria
STRUCTURE OF CLATHRATE HYDRATE PHASES
General and Specific Structures
Structural Transitions
Structure Relationships
SYNTHESIS OF CLATHRATE HYDRATES
Stoichiometry of Hydrates
Liquid-gas, Solid-Liquid and Solid-Gas Reactions
Kinetic Control vs. Thermodynamic Control
CHARACTERIZATION OF CLATHRATE HYDRATES
Diffraction Techniques
Spectroscopy Techniques
Molecular Simulations
THERMODYNAMICS OF CLATHRATE HYDRATES
Statistical Mechanics
Guest-Host Interactions
Free Energy Calculations
Classical Methods of Composition Analysis
Heats of Formation, Decomposition, Enclathration
KINETICS OF CLATHRATE HYDRATE FORMATION AND DECOMPOSITION
Macroscopic vs Microscopic Measurements
Nucleation: Heterogeneous vs. Homogeneous
Growth and Decomposition
Kinetic Inhibitors
Anomalous Preservation
Memory Effects
DYNAMICS OF WATER AND GUEST MOLECULES IN CLATHRATE HYDRATES
Reorienational Dynamics and Diffusion of Guest Molecules
Diffusion of Guest Molecules
Quantum Effects
MECHANICAL AND TRANSPORT PROPERTIES
Expansivity: Microscopic and Macroscopic Studies
Elastic Constants
Heat Capacity
Thermal Conductivity
HIGH PRESSURE CLATHRATE HYDRATE PHASES
Experimental Techniques
APPLICATIONS OF CLATHRATE HYDRATES
Natural Gas Production
Gas Separations
Gas Storage
Desalination
Energy Storage
APPENDIX
Listing of Known Guest Materials