The adsorption manners of two fluorine-polymers on TATB crystal surfaces are simulated and the structures are optimized by MD(COMPASS forcefield,NVT) method and smart minimizer method in Discover/Material Studio. Results show that: (1) The order of atomic positions changes of TATB and the spreading size of polymers is: (010)＞(100)＞(001), when there are interactions between them. (2) Two polymers can be attracted by TATB crystal. TATB can also be bonded by F₂₃₁₁ and F₂₃₁₄which has more efficiency than F₂₃₁₁. (3) The abilitiy of TATB crystal surfaces to adsorb polymers decreases as follows: (010)＞(001)＞(100).