Clathrate fori-nation and dissociation in vapor/water/ice/hydrate systems in SBA-15, sol-gel and CPG porous media, as probed by NMR relaxation, novel protocol NMR cryoporometry, neutron scattering and ab initio quantum-mechanical molecular dynamics simulation

Webber, J. Beau W. and Anderson, Ross A. and Strange, John H. and Tohidi, Bahman (2007) Clathrate fori-nation and dissociation in vapor/water/ice/hydrate systems in SBA-15, sol-gel and CPG porous media, as probed by NMR relaxation, novel protocol NMR cryoporometry, neutron scattering and ab initio quantum-mechanical molecular dynamics simulation. Magnetic Resonance Imaging, 25 (4). pp. 533-536. ISSN 0730-725X. (The full text of this publication is not available from this repository)

The full text of this publication is not available from this repository. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1016/j.mri.2006.11.022

Abstract

The Gibbs-Thomson effect modifies the pressure and temperature at which clathrates occur, hence altering the depth at which they occur in the seabed. Nuclear magnetic resonance (NMR) measurements as a function of temperature are being conducted for water/ice/ hydrate systems in a range of pore geometries, including templated SBA-15 silicas, controlled pore glasses and sol-gel silicas. Rotator-phase plastic ice is shown to be present in confined geometry, and bulk tetrahydrofuran hydrate is also shown to probably have a rotator phase. A novel NMR cryoporometry protocol, which probes both melting and freezing events while avoiding the usual problem of supercooling for the freezing event, has been developed. This enables a detailed probing of the system for a given pore size and geometry and the exploration of differences between hydrate formation and dissociation processes inside pores. These process differences have an important effect on the environment, as they impact on the ability of a marine hydrate system to re-form once warmed above a critical temperature. Ab initio quantum-mechanical molecular dynamics calculations are also being employed to probe the dynamics of liquids in pores at nanometric dimensions. (C) 2007 Elsevier Inc. All rights reserved.

Item Type: Article
Uncontrolled keywords: clathrate; hydrate; confined geometry; NMR; NMR relaxation; cryoporometry; neutron scattering; PVT; ab initio; molecular dynamics; plastic ice; global warming
Subjects: Q Science > QC Physics
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences
Depositing User: Stephen Holland
Date Deposited: 19 Dec 2007 18:56
Last Modified: 11 Apr 2014 11:35
Resource URI: http://kar.kent.ac.uk/id/eprint/1430 (The current URI for this page, for reference purposes)
  • Depositors only (login required):