Tuning 1,3-dioxolane concentration for optimized methane storage in sII hydrates.

Area of Science:

• Energy Science
• Materials Science
• Chemical Engineering

Background:

• Natural gas hydrates offer a sustainable energy source but face storage and transport challenges.
• The influence of 1,3-dioxolane (DIOX) concentration on hydrate storage efficiency is under-explored.
• Understanding these factors is crucial for developing efficient natural gas storage solutions.

Purpose of the Study:

• To investigate the regulatory mechanism of 1,3-dioxolane (DIOX) concentration on the gas storage efficiency of DIOX-CH4 hydrate.
• To determine the optimal DIOX concentration for maximizing hydrate storage capacity and growth rate.
• To evaluate the effects of temperature and pressure on DIOX-CH4 hydrate performance.

Main Methods:

• Molecular dynamics simulations were used to analyze DIOX-CH4 hydrate formation.
• The study examined the relationship between DIOX concentration and hydrate growth rate.
• Gas storage capacity (GSC) was assessed based on cage occupancy, particularly the 512 and 51264 cages.

Main Results:

• DIOX-CH4 hydrate growth rate initially increased with DIOX concentration, peaking at 5.56 mol.%, then decreased.
• Gas storage capacity (GSC) decreased with increasing DIOX concentration, primarily influenced by 512 cage occupancy.
• Optimal storage efficiency was observed at 270 K and 1 MPa for DIOX-CH4 hydrate at 5.56 mol.% DIOX.

Conclusions:

• DIOX concentration significantly regulates DIOX-CH4 hydrate growth and gas storage capacity.
• A DIOX concentration of 5.56 mol.% shows promise for efficient natural gas storage and transportation.
• DIOX-CH4 hydrate offers a viable solution for natural gas storage under mild conditions, indicating potential for practical application.