We discovered a new structure II (sII) hydrate former, cyclobutanemethanol (CBM), for potential use in gas storage applications. The crystal structure and guest behaviors of the binary (CBM + CH₄) hydrate were investigated through spectroscopic observations, using ¹³C solid-state NMR and PXRD. Binary (CBM + CH₄) hydrate NMR spectra confirmed formation of sII hydrates, indicating that CBM could be enclathrated in the large cages of sII hydrates. CH₄ molecules were captured in the large and small cages of sII hydrates; thus, the binary (CBM + CH₄) hydrate system could be open to tuning behaviors. The crystal structure of the binary (CBM + CH₄) hydrate was confirmed to be a cubic Fd3m hydrate by the Rietveld analysis, with a lattice parameter of 17.23630 Å. CBM inclusion behaviors were elucidated from the shortest distance of the oxygen–oxygen atoms between the host–water and CBM (2.34Å), and the results indicated that there were possible hydrogen bonding interactions between host and guest. The thermodynamic stability of the binary (CBM + CH₄) hydrate was examined, to check the possibility for potential applications in gas storage using gas hydrates. Compared to the equilibrium conditions of pure CH₄ hydrates, the equilibrium temperature and pressure of the binary (CBM + CH₄) hydrate were more stable. Finally, the CH₄ storage capacity of binary (CBM + CH₄) hydrate is examined and the results indicates that the CH₄ storage capacity of binary (CBM + CH₄) hydrate is superior to that of binary (tetrahydrofuran + CH₄) and (cyclopentane + CH₄) hydrates. These findings may provide fundamental knowledge on the complex nature of host–guest inclusion chemistry, and lend useful insights for its potential application in gas storage using hydrates.

我们发现了一种新的结构II（sII）水合物形成剂环丁烷甲醇（CBM），可用于储气应用。使用¹³ C固态NMR和PXRD通过光谱观察研究了二元（CBM + CH ₄）水合物的晶体结构和客体行为。二元（CBM + CH ₄）水合物NMR谱图证实了sII水合物的形成，表明CBM可以包封在sII水合物的大笼子中。CH ₄分子被捕获在sII水合物的大大小小的笼子中。因此，二元（CBM + CH ₄）水合物系统可能会出现调谐行为。二元（CBM + CH ₄）水合物的晶体结构被确认为立方晶通过Rietveld分析得出Fd3m水合物，其晶格参数为17.23630Å。从主体-水和煤层气之间最短的氧-氧原子距离（2.34Å）阐明了煤层气的夹杂行为，结果表明主体与客体之间可能存在氢键相互作用。检查了二元（CBM + CH ₄）水合物的热力学稳定性，以检查在使用天然气水合物储气中潜在应用的可能性。与纯CH ₄水合物的平衡条件相比，二元（CBM + CH ₄）水合物的平衡温度和压力更稳定。最后，CH ₄的二进制存储容量（CBM + CH ₄检查了水合物，结果表明二元（CBM + CH ₄）水合物的CH ₄储存能力优于二元（四氢呋喃+ CH ₄）和（环戊烷+ CH ₄）水合物。这些发现可能提供有关主体-客体夹杂物化学的复杂性质的基础知识，并为其在水合物储气中的潜在应用提供有益的见解。