This paper aims to study the effect of silver nanoparticles on the kinetics of CO₂ hydrate growth at different P-T conditions using the molecular dynamics (MD) technique.Three nanofluid models containing 2, 4 and 6 nanoparticles (NPs) as well as a base model (without NPs) were designed to study the effect of nanoparticle concentration on the gas hydrate system. The profiles of potential energy (PE), mean squared displacement (MSD) and density along the simulation box, and the number of CO₂ molecules at the hydrate-liquid interfaces, diffusion coefficient, three-body structural order (F₃) and also radial distribution function (RDF) were calculated from the simulation. The results revealed that the rate of hydrate growth increases as the temperature increases from 250 K to 260 K at a constant pressure of 30 MPa. A similar trend was also achieved for decreasing the pressure from 30 MPa to 15 MPa at constant temperature of 250 K, however, increasing the temperature to 270 K at 30 MPa decreased again the growth rate.Among the simulation models, the 2-NP fluid model at 260 K and 30 MPa was found to have the highest hydrate growth rate. It was found that nanoparticles have several impacts on the CO₂ hydrate system as follows: they could lower the potential energy of the system, increase the peak’s height of the carbon–oxygen and carbon–carbon RDFs, facilitate CO₂ dissolution, enhance the diffusion coefficient, and improve the migration of CO₂ molecules from the bulk of the solution to the interfaces, and also could physically block the CO₂ migration at high concentrations. Finally, form the RDF calculations, the results of our simulation are in good agreement with those reported in the literature with an average error of less than 10%.

本文旨在使用分子动力学 (MD) 技术研究银纳米粒子对不同 PT 条件下CO ₂水合物生长动力学的影响。包含 2、4 和 6 个纳米粒子 (NP) 的三个纳米流体模型以及基础模型（不含纳米颗粒）旨在研究纳米颗粒浓度对气体水合物系统的影响。沿模拟框的势能 (PE)、均方位移 (MSD) 和密度分布，以及水合物-液体界面处的CO ₂分子数、扩散系数、三体结构顺序 (F ₃) 和径向分布函数 (RDF) 是从模拟中计算出来的。结果表明，在 30 MPa 的恒定压力下，随着温度从 250 K 增加到 260 K，水合物的生长速率增加。在 250 K 的恒定温度下将压力从 30 MPa 降低到 15 MPa 也实现了类似的趋势，但是，在 30 MPa 下将温度增加到 270 K 再次降低了增长率。 在模拟模型中，2-NP 流体发现在 260 K 和 30 MPa 下的模型具有最高的水合物生长速率。研究发现纳米颗粒对CO ₂水合物体系有以下几个影响：它们可以降低体系的势能，增加碳-氧和碳-碳RDFs的峰高，促进CO ₂溶解，提高扩散系数，改善CO ₂分子从溶液主体到界面的迁移，并且在高浓度下也可以物理阻断CO ₂迁移。最后，从 RDF 计算来看，我们的模拟结果与文献中报道的结果非常吻合，平均误差小于 10%。