(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, 兰艳花, 杨荣杰, 周智明

Simulation Calculation for Adsorption Mechanism of Tris (chloroisopropyl) Phosphate on Surface of Montmorillonite
LIU Shanshan, LAN Yanhua, YANG Rongjie, ZHOU Zhiming
表2 不同系统中的成键情况和键长
Table 2 Bond conditions and bond length in different systems
M(Na-001)TM(None-001)TM(Inter)T
BondBond length/nmBondBond length/nmBondBond length/nm
Na1-Cl13.673Cl1-O13.510Cl1-O13.759
Cl1-O13.623Cl2-O23.763Cl2-O23.688
Cl2-O23.972H1-O33.258H1-O32.401
--P-O42.876H2-O42.735
----H3-O53.237