화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2020년 가을 (10/14 ~ 10/16, e-컨퍼런스)
권호 26권 1호, p.555
발표분야 열역학분자모사
제목 Phase Equilibria and Spectroscopic Identification of Binary (Allyl alcohol + Methane) Hydrates
초록 Herein, allyl alcohol (AA) was discovered to form structure II (sII) hydrate in the presence of methane (CH4) as a help gas. For understanding the guest inclusion behaviors and crystal structure of the binary (AA + CH4) hydrate, spectroscopic tools, such as solid-state nuclear magnetic resonance (NMR), Raman and powder X-Ray diffraction (PXRD), were used in this study. NMR results showed that the crystal structure of the binary (AA + CH4) hydrate was structure II. In addition, the conformation of the AA molecule in the hydrate cages were also determined from NMR spectra. The guest inclusion behavior and crystal structure of the binary (AA + CH4) hydrate were also confirmed in the Raman pattern. The PXRD pattern of the binary (AA + CH4) hydrate was refined by the Rietveld analysis with direct space method. As a result, AA (guest) and water-based frame (host) may interact via strong hydrogen bonding. Finally, the phase equilibrium conditions of the binary (AA + CH4) hydrate was also measured and the results showed that the equilibrium temperatures of the binary (AA + CH4) hydrate is slightly lower than those of the pure methane hydrate at the same pressure conditions.
저자 박기훈, 김동현, 차민준
소속 강원대
키워드 열역학
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