Inhibition mechanism of methane hydrate

2017 Fiscal Year Final Research Report

• Project/Area Number: 16K17857
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Physical chemistry
• Research Institution: Okayama University
• Principal Investigator: Yagasaki Takuma 岡山大学, 異分野基礎科学研究所, 特別契約職員(講師) (40442529)
• Project Period (FY): 2016-04-01 – 2018-03-31
• Keywords: 包接水和物 / 氷 / 結晶成長

Outline of Final Research Achievements

We investigated the mechanism of kinetic hydrate inhibitors (KHIs) using molecular dynamics simulations. It is found that crystal growth of clathrate hydrates is not caused by direct interactions between KHIs and water molecules on the hydrate surface but by the Gibbs-Thomson effect. We compared adsorption of KHIs on clathrate hydrates with that of antifreeze proteins on ice Ih, and found that the former is more versatile and flexible than the latter. We also examined novel ice structures that are stable under high pressure and negative pressure.

Free Research Field

分子動力学シミュレーション