三(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3 NaMMT-TCPP-H2O系统中的键长
Table 3 Bond length in NaMMT-TCPP-H2O system
M(Na-001) TWM(None-001) TWM(Inter)TW
BondBond length/nmBondBond length/nmBondBond length/nm
Na－O3.026H－O2.610H－O3.041
H－O2.821H－O2.027
H－O2.634H－O2.562H－O2.790
H－O2.790H－O2.593
H－O2.734H－O2.402H－O2.762
H－O2.530