화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2022년 봄 (04/20 ~ 04/23, 제주국제컨벤션센터)
권호 28권 1호, p.1296
발표분야 [주제 12] 화학공학일반(부문위원회 발표)
제목 Investigation of dipeptides as efficient and biodegradable CH4 hydrate inhibitors with experimental and molecular dynamics approaches
초록 Gas hydrates are crystalline inclusion compounds formed by van der Waals interaction between host water molecules and encapsulated gas molecules. Gas hydrate formation in subsea natural gas and oil transmission pipelines can cause plugging and subsequent malfunctioning or rupture. Injection of kinetic hydrate inhibitors (KHIs) such as polyvinylpyrrolidone (PVP), and polyvinylcaprolactam (PVCap) is one of the useful methods to retard the gas hydrate formation with small dosages. However, these conventional KHIs have disadvantages of poor biodegradability and low solubility. In this study, dipeptides of Ala-Ala, Ala-Gly, and Gly-Gly were suggested as efficient and biodegradable CH4 hydrate inhibitors. Experimental results using a high-pressure autoclave (HP autoclave) and a high-pressure micro-differential scanning calorimeter (HP μ-DSC) showed that all these substances functioned as CH4 hydrate inhibitors. Molecular dynamics (MD) simulations were deployed to clarify the CH4 hydrate inhibition mechanism of dipeptides at a molecular level. The results obtained in this study would provide deep insights into the molecular behaviors of new biodegradable hydrate inhibitors.
저자 고우진, 윤소영, 이동영, 서용원
소속 울산과학기술원
키워드 열역학분자모사(Thermodynamics)
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