In:
AIChE Journal, Wiley, Vol. 68, No. 1 ( 2022-01)
Abstract:
CO 2 hydrates are ice‐like substances in which CO 2 molecules are encapsulated in water and are known to reduce the rate at which CO 2 dissolves in water. It is believed that the thickness of the hydrate film is dominant in the dissolution rate. In this study, we have developed a model that takes into account two factors: the permeation of H 2 O molecules and the change in film thickness. First, mass transfer coefficients were measured from dissolution experiments of CO 2 hydrate, and it was found that existing empirical equations could predict the mass transfer coefficients near the hydrate. Next, molecular dynamics simulations were carried out to determine the self‐diffusion coefficients between CO 2. In these calculations, intercage hopping and intracage migration of the molecules were identified based on their migration distances. These results indicate that the kinetic model proposed in this study can reproduce the CO 2 hydrate film thickness well.
Type of Medium:
Online Resource
ISSN:
0001-1541
,
1547-5905
Language:
English
Publisher:
Wiley
Publication Date:
2022
detail.hit.zdb_id:
2020333-0
detail.hit.zdb_id:
240008-X