Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 125, Issue 16, Pages 4162-4168Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcb.1c01274
Keywords
-
Categories
Funding
- ACS-PRF [58024ND6]
Ask authors/readers for more resources
The study reveals that methanol can both slow down and accelerate the formation of methane clathrate hydrates, depending on the temperature. This dual role is attributed to the temperature-dependent methane-methanol interaction and the competition between methanol and water for interacting with methane.
Here, we perform molecular dynamics simulations to provide atomic-level insights into the dual roles of methanol in enhancing and delaying the rate of methane clathrate hydrate nucleation. Consistent with experiments, we find that methanol slows clathrate hydrate nucleation above 250 K but promotes clathrate formation at temperatures below 250 K. We show that this behavior can be rationalized by the unusual temperature dependence of the methane-methanol interaction in an aqueous solution, which emerges due to the hydrophobic effect. In addition to its antifreeze properties at temperatures above 250 K, methanol competes with water to interact with methane prior to the formation of clathrate nuclei. Below 250 K, methanol encourages water to occupy the space between methane molecules favoring clathrate formation and it may additionally promote water mobility.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available