裴剑霖等-中国石油大学（华东）-分子动力学模拟中多孔MCM-41缝隙纳米孔中水合物的形成

Session 5 - Oral 8

The Formation of CH4 Hydrate in the Slit Nanopore of the Mesoporous MCM-41 by Molecular Dynamics Simulation

Jianlin Pei1, Shujun Chen1, 2,3,*, Zhiqiang Zhang1, Xinyu Jiang1,

1 College of Pipeline and Civil Engineering, China University of Petroleum (East China), Qingdao 266580, China

2 Qingdao engineering research center of efficient and clean utilization of fossil energy, Qingdao 266580, China

3Shandong Key Laboratory of Oil & Gas Storage and Transport Safety, Qingdao 266580, China

ABSTRACT：Methane storage in water-bearing porous media is a new type of methane storage method with high reserves and mild storage conditions. However, the molecular mechanism of aqueous methane storage in porous media is still unclear. In this paper, molecular dynamics simulation (MD) was used to study the growth process of hydrate on the surface and in the channels of mesoporous molecular sieve MCM-41. Its microstructure, growth process and density distribution were analyzed. The results show that water molecules grow preferentially outside the pore, and hydrate continues to grow along the pore center after saturation. The density of methane molecules fluctuates during hydrate growth. When hydrate growth is complete, the density distribution of methane tends to be average. The results are expected to explain the microscopic mechanism of hydrate formation in porous materials with mesoporous pores.

Keywords: Hydrate, methane storage, density distribution

*Corresponding author. E-mail addresses: shujunchenfu@126.com (S. Chen).