The dissociation kinetics of CO₂ hydrate are investigated by molecular dynamics (MD) simulation in the presence of thermodynamic inhibitor glycine (5 wt%, 10 wt%, 15 wt%, 20 wt%) and kinetic inhibitor glucose (1.2 wt%, 2.0 wt%, 3.8 wt%). The molecular dynamics simulations are performed at 273.15 K and 3 MPa under the isothermal-isobaric (NPT) ensemble. The configuration, radial distribution functions, mean square displacement, and density are analyzed respectively. It is found that the dissociation rate of CO₂ hydrate is increased in the presence of two inhibitors. The optimal concentration of glycine is 10 wt% and that is 1.2 wt% for glucose. The results indicate different mechanisms for two inhibitors. Glycine accumulates on the solid–liquid surface of the initial structure, and the clathrate hydrate structure is destroyed due to the aggregation of hydroxyl (OH) and amidogen (NH₂) with water hydrogen bond in the hydrate structure. While glucose accelerates the dissociation of hydrates because of the synergistic effect of steric hindrance, owing to its ring-shaped structure and the disruption of functional groups.

在热力学抑制剂甘氨酸（5 wt％，10 wt％，15 wt％，20 wt％）和动力学抑制剂葡萄糖（1.2 wt％，2.0）的存在下，通过分子动力学（MD）模拟研究了CO ₂水合物的离解动力学。wt％，3.8 wt％）。在等温-等压（NPT）集成下，在273.15 K和3 MPa下进行了分子动力学模拟。分别分析了结构，径向分布函数，均方位移和密度。发现CO ₂的解离速率在两种抑制剂的存在下水合增加。甘氨酸的最佳浓度为10 wt％，对于葡萄糖为1.2 wt％。结果表明两种抑制剂的机制不同。甘氨酸积累在初始结构的固液表面上，由于水合物结构中带有氢键的羟基（OH）和酰胺基（NH ₂）的聚集而破坏了笼形水合物结构。由于空间位阻的协同作用，葡萄糖由于其环状结构和功能基团的破坏而加速了水合物的离解。