Clarification of reaction mechanism of guest molecule by low-temperature plasma irradiation of clathrate hydrate

2023 Fiscal Year Final Research Report

• Project/Area Number: 20K04328
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 19020:Thermal engineering-related
• Research Institution: Ehime University
• Principal Investigator: Mukasa Shinobu 愛媛大学, 理工学研究科(工学系), 准教授 (20284391)
• Project Period (FY): 2020-04-01 – 2024-03-31
• Keywords: ハイドレート / 化学反応場 / 誘電体バリア放電 / ゲスト分子 / 分子動力学シミュレーション

Outline of Final Research Achievements

We investigated the products derived from guest molecules by irradiation of hydrate with a dielectric barrier discharge. For comparison, similar experiments were also performed on a molten liquid and emulsified liquid of the hydrate. As a result, although there were no differences in the products, the production ratios of each product differed. It was considered to be due to the orientation of the guest molecules within the hydrate cage, and a molecular dynamics simulation was performed to understand the orientation of the guest molecules within the cage. The results showed that interactions with the cage faces affect the orientation and rotational motion of the guest molecules.

Free Research Field

熱工学

Academic Significance and Societal Importance of the Research Achievements

一般的に化学反応は，気体や液体の状態で温度や圧力などのマクロ量によって制御を行うが，ハイドレートはゲスト分子が高密度かつ規則的に配置することから，高効率な反応を行える化学反応場としての役割が期待できる．このとき，ゲスト分子に活性化エネルギーを与える方法として，熱変換が小さいとされる誘電体バリア放電が有力な候補の一つとなる．本研究は，その可能性を示すことを目的として，ゲスト分子に起きる現象を理解しようとするものであった．