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正丙醇作为结构 II 水合物的共客体在助溶剂存在的情况下。

2-Propanol as a co-guest of structure II hydrates in the presence of help gases.

机构信息

School of Urban and Environmental Engineering, Ulsan National Institute of Science and Technology, Ulsan 689-798, Republic of Korea.

出版信息

J Phys Chem B. 2013 Feb 28;117(8):2449-55. doi: 10.1021/jp310487w. Epub 2013 Feb 12.

Abstract

The enclathration of 2-propanol (2-PrOH) as a co-guest of structure II (sII) hydrates in the presence of CH4 and CO2 was experimentally verified with a focus on macroscopic phase behaviors and microscopic analytical methods such as powder X-ray diffraction (PXRD) and NMR spectroscopy. 2-PrOH functioned as a hydrate promoter in the CH4 + 2-PrOH systems, whereas it functioned as an apparent hydrate inhibitor in the CO2 + 2-PrOH systems despite the inclusion of 2-PrOH in the hydrate lattices. From the PXRD patterns, both double CH4 + 2-PrOH and double CO2 + 2-PrOH hydrates were identified to be cubic (Fd3m) sII hydrates. From the (13)C NMR spectra, it was found that, at a lower 2-PrOH concentration, the small 5(12) cages of the sII hydrate were occupied by CH4 molecules only, whereas the large 5(12)6(4) cages were shared by CH4 and 2-PrOH molecules. However, at a stoichiometric concentration, the large cages were occupied by 2-PrOH molecules only, and the corresponding chemical formula for this concentration is 1.50CH4·0.98 2-PrOH·17H2O.

摘要

2-丙醇(2-PrOH)作为结构 II(sII)水合物中 CH4 和 CO2 的共客体的包合作用通过实验得到了验证,重点关注宏观相行为和微观分析方法,如粉末 X 射线衍射(PXRD)和 NMR 光谱。在 CH4 + 2-PrOH 体系中,2-PrOH 作为水合物促进剂,而在 CO2 + 2-PrOH 体系中,尽管 2-PrOH 包含在水合物晶格中,但它作为明显的水合物抑制剂。从 PXRD 图谱可以看出,双 CH4 + 2-PrOH 和双 CO2 + 2-PrOH 水合物均为立方(Fd3m)sII 水合物。从(13)C NMR 谱中可以发现,在较低的 2-PrOH 浓度下,sII 水合物的小 5(12)笼仅被 CH4 分子占据,而大 5(12)6(4)笼由 CH4 和 2-PrOH 分子共享。然而,在化学计量浓度下,大笼仅被 2-PrOH 分子占据,对于该浓度的相应化学式为 1.50CH4·0.98 2-PrOH·17H2O。

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