(氯异丙基)磷酸酯在蒙脱石表面吸附机理的模拟计算
刘珊珊1, 兰艳花3, 杨荣杰2(), 周智明1
Simulation Calculation for Adsorption Mechanism of Tris (chloroisopropyl) Phosphate on Surface of Montmorillonite
LIU Shanshan1, LAN Yanhua3, YANG Rongjie2(), ZHOU Zhiming1

图9. 一个H2O分子在Na-001、None-001和晶层间吸附的最优构型

Fig.9. Optimal configurations of a H2O molecule adsorbed on Na-001 (a), None-001 (b) and Interlayer (c)