7 Index
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List of Tables
1 Chapter 2Table 2.1 Molecules found by de Forcrand to form double hydrates with H2S [1...Table 2.2 De Forcrand's hydrate compositions obtained using calorimetric dat...
2 Chapter 3Table 3.1 The clathrate hydrates according to guest type.Table 3.2 Clathrate crystal structure nomenclature, past and present.Table 3.3 The convex polyhedra found in the canonical clathrate hydrates (se...Table 3.4 Chemical categories of neutral guest species which form the canoni...Table 3.5 A list of CS‐I (sI), CS‐II (sII), and other canonical simple clath...Table 3.6 Double hydrates of CS‐II structure, listing only guests that do no...Table 3.7 The HS‐III hydrates formed from the large cage guest molecules occ...
3 Chapter 5Table 5.1 Structures of the canonical clathrate hydrates with neutral guest ...Table 5.2 Canonical clathrate hydrate structures from single‐crystal X‐ray d...Table 5.3 Canonical clathrate hydrate structures from powder X‐ray/neutron d...Table 5.4 Properties of the cages, stoichiometry, and framework density in c...Table 5.5 Geometric characterization of cage types for the main clathrate hy...Table 5.6 Geometry and symmetry of unit cells, cages, and water oxygen atom ...Table 5.7 Maximum guest van der Waals diameter,Dmax, volume of the guest mol...Table 5.8 Lattice constants for binary HS‐III clathrate hydrates with methan...Table 5.9 Geometry and symmetry characterization of unit cells and cages for...Table 5.10 Related clathrate hydrate, clathrasil (silica clathrates), and me...
4 Chapter 6Table 6.1 Melting point temperatures and crystallographic data of semi‐clath...Table 6.2 Single‐crystal structures of ionic clathrate hydrates (the salt hy...Table 6.3 Additional salt hydrate structures.Table 6.4 Structural information on TBAB hydrates from different literature ...Table 6.5 Single‐crystal diffraction structures of salt hydrates containing ...Table 6.6 Structural details for the hydrate of (1.67 choline hydroxide)·(te...Table 6.7 Ionic clathrate hydrates of monobasic acids.Table 6.8 The structure of higher hydrates of the basic (Me)4N+OH− Table 6.9 Heterogeneous framework ionic clathrates containing Si and/or Al.
5 Chapter 7Table 7.1 Composition (hydration numbers) and cage occupancies of clathrate ...Table 7.2 Experimentally measured enthalpy of dissociation per stoichiometri...Table 7.3 The cage occupancies at 0 °C and the reference pressureP0 and Lang...Table 7.4 The reported values of ΔμW and ΔHW between ice and empty clat...Table 7.5 The fractional coordinates, symmetry multiplicity, and occupancy o...Table 7.6 A compilation of Kihara potential parameters used in the methane c...Table 7.7 Hydrate decomposition conditions for various guests with related s...Table 7.8 Encagement enthalpies (kJ·mol−1) per guest molecule in clath...Table 7.9 Enthalpy of sublimation for solid guest and enthalpy of conversion...
6 Chapter 8Table 8.1 Intermolecular parameters for the intermolecular electrostatic and...Table 8.2 Predicted ice melting points, methane hydrate lattice constants at...Table 8.3 The spherical harmonics forl = 3 that are used in the local order ...Table 8.4 A partial list of classical molecular dynamics, Monte Carlo, ab in...Table 8.5 Computed enthalpy of formation, ΔHform, per stoichiometric unit (k...Table 8.6 Computed encagement enthalpies per guest molecule (kJ mol−1)...Table 8.7 Zero‐point energies (in parentheses) and low‐lying states ofpara a...
7 Chapter 9Table 9.1 The seven space‐filling crystal systems defined based on the symme...Table 9.2 The 48 general points generated by the symmetry operations of the ...Table 9.3 A summary of elastic properties of CS‐I (MH‐I), HS‐III (MH‐II), an...
8 Chapter 10Table 10.1 Structural parameters, shielding tensor, and spin–rotation tensor...Table 10.2 Experimental129Xe NMR isotropic chemical shifts and anisotropy co...Table 10.3 Calculated129Xe isotropic chemical shifts and anisotropy componen...Table 10.4 Experimental NMR isotropic chemical shifts and anisotropy compone...Table 10.52H NMR line shape parameters for guests in clathrate hydrates.Table 10.6129Xe and 131Xe NMR parameters of Xe in CS‐I and CS‐II clathrate hydra...
9 Chapter 11Table 11.113C isotropic chemical shifts (ppm) of methane in various cages of cla...Table 11.2 Assignment of13C NMR signals from gas hydrates recovered from Bar...Table 11.3T1 and TCP/T1ρ relaxation data at 173 K for HS‐III TBME‐CH4 and C...
10 Chapter 12Table 12.1 Hydrate cages,13C chemical shift data for encaged 13CO2.Table 12.2 Water molecule relaxation times and activation energies from diel...Table 12.3 Water molecule relaxation times and activation energies from diel...Table 12.4 Information on water dynamics in CS‐I ethylene oxide and CS‐II TH...Table 12.5 Summary of dynamic properties of spherical top guest molecules in...Table 12.62H nuclear quadrupole coupling constants of static solid molecules (mi...Table 12.7 Molecular length, dipole moment, order parameter, and tilt angle ...Table 12.8 Reorientational activation energies from dielectrics and1H NMR fo...Table 12.9 Reorientational activation energies for guest molecules in CS‐I h...Table 12.10 Barrier height and molecular size parameters for the rotation of...Table 12.11 Classification of guests according to guest motional behavior.
11 Chapter 13Table 13.1 Average Raman peak positions (cm−1) for C–H stretching mode...Table 13.2 Comparison of geometric parameters of guest molecules estimated b...Table 13.A.1 Reported Raman peak shifts (cm−1) of C–H stretching mode ...Table 13.A.2 Peak Raman shifts (cm−1) of hydrocarbons in clathrate hydrate...Table 13.A.3 Peak Raman shifts (cm−1) of other gases in clathrate hydr...
12 Chapter 14Table 14.1 The measured homogenous nucleation temperatures of ice and some c...
13 Chapter 15Table 15.1 Longitudinal frequency shift, ν, and longitudinal acoustic veloci...Table 15.2 Summary of experimental and theoretically predicted elastic modul...Table 15.3 Summary of selected thermal conductivity data for clathrate hydra...Table 15.4 Exponents of the power laws describing thermal conductivities of ...
14 Chapter 16Table 16.1 Defined hydrate catastrophic indexes (HCIs) for different experim...Table 16.2 SNG technology compared with CNG and LNG.
List of Illustrations
1 Chapter 1Figure 1.1 National Research Council of Canada Building M‐12 on the NRC Mont...Figure 1.2 (a) Donald Davidson observing a clathrate hydrate sample; (b) Wil...Figure 1.3 (a) S. K. Garg at the controls of the Bruker 1.4 T SXP spectromet...Figure 1.4 Clathrate group, Division of Chemistry, National Research Council...Figure 1.5 National Research Council Canada building at 100 Sussex Drive, Ot...
2 Chapter 2Figure 2.1 Pioneers of clathrate science from the early 1800s. From left to ...Figure 2.2 Cailletet apparatus [40] showing the hand‐driven hydraulic pumps ...Figure 2.3 Pioneers of clathrate science in the late 1800s and early 1900s. ...Figure 2.4 The phase diagram of SO2 and water mixture showing the stability ...Figure 2.5 De Forcrand's results showing (a) octahedral and related crystall...Figure 2.6 Villard's apparatus for hydrate formation and characterization. O...Figure 2.7 von Stackelberg's characterization of the stoichiometry of hydrat...Figure 2.8 Pioneers of clathrate science in the mid‐1900s. From left to righ...Figure 2.9 (a) The body‐centered cubic arrangement of the dodecahedral cages...Figure 2.10 Pioneers of clathrate science in the mid‐1900s. Top row, George ...Figure 2.11 The number of publications related to gas (clathrate) hydrates b...
3 Chapter 3Figure 3.1 The structure of several inclusion compounds with zero‐, one‐, or...Figure 3.2 The polyhedral cages found in clathrate hydrate phases along with...Figure 3.3 Guest size–structure relationships for CS‐I, CS‐II, and HS‐III cl...Figure