中文摘要：

分子的动力学(MD ) 方法被用来模仿 1,3,5-triamino-2,4,6-trinitrobenzene (TATB ) 与氟的符号包含涂聚合物。机械性质和专用小交换机的有约束力的精力被获得。当包含聚合物的氟的符号的链单体的数字是一样时， TATB/F2314 的弹性比其它更极大地被增加， TATB/F2311 的有约束力的精力在四台专用小交换机之中是最大的，这被发现。如此的四台专用小交换机的爆炸热和速度根据理论、实验的公式被计算。结果证明爆炸热的顺序是 TATB > TATB/PVDF > TATB/F2311 > TATB/F2314 > TATB/PCTFE 当爆炸速度的顺序是 TATB/PVDF 时 < TATB/F2311 < TATB/F2314 < TATB/PCTFE < TATB。

英文摘要：

Molecular dynamics （MD） method was used to simulate 1,3,5-triamino-2,4,6-trinitrobenzene （TATB） coated with fluorine containing polymers. The mechanical properties and binding energies of PBXs were obtained. It was found that when the number of chain monomers of fluorine containing polymers was the same, the elasticity of TATB/F2314 was increased more greatly than others and the binding energy of TATB/F2311 was the largest among four PBXs. Detonation heat and velocity of such four PBXs were calculated according to theoretical and empirical formulas. The results show that the order of detonation heat is TATB〉TATB/PVDF〉TATB/F2311〉TATB/ F2314 〉 TATB/PCTFE while the order of detonation velocity is TATB/PVDF 〈 TATB/F2311 〈 TATB/F2314 〈 TATB/PCTFE 〈TATB.