To determine the compatibility of 3，4-Dinitrofurazanfuroxan （DNTF） with different polymeric passivators， models of fusion-cast explosives were constructed. These fusion-cast explosives were mixtures of DNTF with polymethyl methacrylate（PMMA）， fluororubber （F₂₆₀₃）， cis-butadiene rubber （BR）， or polyvinylidene fluoride （PVDF）. The molecular dynamics （MD） simulation method was used to study the compatibility between DNTF and the above-mentioned four polymer passivators from the radial distribution function， solubility parameter and Flory-Huggins interaction parameter under the COMPASS force field. The nature of the intermolecular interaction force in the blends was revealed. The compatibility of the four blend systems was further experimentally verified by using the vacuum stability tests （VST）. The results show that the intermolecular radial distribution function values for individual components are lower than that between two different components in the blends. The solubility parameters of these systems are less than 3 J^1/2·cm^-3/2. The interaction parameter values of the systems are less than the critical interaction parameter value. The outgassing volume of these systems are all less than 0.6ml， indicating that DNTF is compatible with PMMA， F₂₆₀₃， BR and PVDF. The numerical simulation results are well consistent with the experimental results.