低维气体水合物的理论研究

Following the discoveries of methane hydrates at ocean floor and polar region in the later period 20th century, gas hydrates have become an enduring research topic because of their significant energy and environmental implications. However, because of space limitation, the structures of gas hydrates in nanoconfinement are different from those of 3D gas hydrates (namely, type I, II and H). This paper summarizes our recent theoretical studies of low-dimensional hydrates. We explore the structures and molecular mechanism of nucleation and growth of the one-dimensional hydrogen clathrates in SWCNTs and the two-dimensional hydrates confined in nanoslits. These results not only help to reveal the unique properties of low-dimensional hydrates, but also open a door towards an improved understanding of hydrate formation in sediments or in porous media.