Then, the L-J (12/6) potential with the two parameters obtained was employed to carry out MD simulation of Fe2+ hydration process for a dilute aqueous solution system at 298.15 K and 573 K, respectively.

• 然后在298.；15K和573K温度条件下；用这个势能模型去运行Fe2+极稀水溶液系统的分子动力学模拟。