Theory of Dissociation Pressures of Some Gas Hydrates

Articles you may be interested in Meso-level simulation of gas hydrate dissociation inlow-permeability sediments Theor. Dissociation pressures of some gas hydrates have been evaluated using the Lennard-Jones 12-6 28-7 and Kihara potentials in the Lennard-Jones-Devonshire cell model. The Lennard-Jones 28-7 pot~ntial 'gives the least satisfactory results. The Lennard-Jones 12-6 potential works satisfactorily for the monatomic gases and ClL but poorly for the rodlike molecules C2H6, C02, N2, 02, C2fu. This failure may be due to (i) d~~.tortio~s of t~e hydrate la~tice, (ii) neglect of.m?lecul~r shape and size in determining the cavity potential (m) bamer to mternal rotatIOn of the molecule m Its cavity. A crude model for the lattice shows that it is not distorted. The Kihara potential predicts better dissociation pressures for the hydrates of the rodlike mole-~ules. U,nlike the previously used Lennard-Jones 12-6 potential, it depends on the size and shape of the mteractmg molecules. The absence of lattice distortions, improved dissociation pressures through the use of the Kihara potential and the restriction of the motion of the solute molecule to around the center of a cavity makes a large barrier to rotation unlikely. A small barrier may still be present.