Journal of Material Sciences & Engineering

Jiafang Xu

Publications

• Research Article
  Effects of Inorganic Salts Addition on Na-montmorillonite Clay at High Temperature and High Pressure: Insights from Molecular Dynamics Simulation
  Author(s): Moussa Camara, Hualin Liao, Jiafang Xu, Tingji Ding, Rogers Swai and Jun ZhangMoussa Camara, Hualin Liao, Jiafang Xu, Tingji Ding, Rogers Swai and Jun Zhang
  
  In the present work, we performed a molecular dynamics (MD) simulation of Na-montmorillonite (Na-Mt) in nonambient environment under the crystalline swelling to evaluate the effect of temperature and inorganic salts addition on the interlayer structure and the swelling behavior of Na-Mt. The activities of inorganic salts (NH4Cl, AlCl3, MgCl2 and FeCl3) on the hydration process of Na-Mt at high temperatures (200, 300, 400, 500, and 600 K) and high pressure (HTHP) of P=6 GPa in an isobaric isothermal ensemble (NPT) were investigated. The results showed that addition of inorganic salts into Na-Mt enhanced mobility of the interlayer species, and shrunk the hydration shell of the interlayer ions with a rise in temperature. The salts inhibited swelling by reducing the mobility of the interlayer species and the basal spacing. The type of cations present between the layers, their hydration en.. Read More»
  

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