| 학회 | 한국화학공학회 |
| 학술대회 | 2021년 가을 (10/27 ~ 10/29, 광주 김대중컨벤션센터) |
| 권호 | 27권 2호, p.1924 |
| 발표분야 | 열역학 분자모사 |
| 제목 | Exploring Guest Inclusions and Interactions in a Binary Clathrate Hydrate of Cyclopentanemethanol and Methane |
| 초록 | In this study, cyclopentanemethanol (CPeM) was utilized as a new structure II (sII) hydrate former in the presence of methane (CH4) gas. Guest inclusions of interactions in a (CPeM + CH4) hydrate sample was identified with 13C solid-state nuclear magnetic resonance (NMR) and powder X-ray diffraction (PXRD). In NMR spectra, it was identified that CPeM and CH4 molecules were enclathrated in the large and small cages of sII hydrate, respectively. Especially, a possible conformation of CPeM molecule in large cages of sII hydrate was confirmed through conformational analysis of CPeM molecules. The crystal structure of the binary (CPeM + CH4) hydrate was refined with Rietveld method, indicating that the formation of sII hydrate with a lattice parameter of 17.28227 Å. In addition, the possible host–guest interactions in the binary (CPeM + CH4) hydrate were discussed. KEYWORD Clathrate Hydrate, NMR, PXRD, Cyclopentanemethanol |
| 저자 | 박기훈, 차민준, 김동현 |
| 소속 | 강원대 |
| 키워드 | 열역학 |
| 원문파일 | 초록 보기 |
