Promotion mechanism for the growth of CO2hydrate with urea using molecular dynamics simulations
Journal
Chemical Communications
Journal Volume
57
Journal Issue
43
Pages
5330-5333
Date Issued
2021
Author(s)
Abstract
The role of urea as a kinetic promoter for the growth of CO2 hydrates is revealed for the first time using molecular dynamics simulations. Analysis of simulation trajectories shows that urea plays two important roles in the growth process: increasing mass transport of CO2 and catalyzing cage formation at the solid-liquid interface. ? The Royal Society of Chemistry.
Subjects
Carbon dioxide; Metabolism; Phase interfaces; Urea; Analysis of simulations; Cage formation; CO2 hydrates; Growth process; Kinetic promoters; Molecular dynamics simulations; Solid-liquid interfaces; Molecular dynamics
Type
journal article