Due to the relatively backward preservation technology, the annual decomposition rate of fruits and vegetables in China remains high, while ethylene, as a maturation hormone produced during the natural metabolism of fruits and vegetables, is an important factor in accelerating the decomposition of fruits and vegetables. The use of active packaging technology to absorb ethylene inside the packaging of fruits and vegetables is an effective method to prolong the preservation period. PE/molecular sieve preservation film was selected as the main research object. The adsorption and diffusion of ethylene molecules in the PE/molecular sieve system was revealed from a microscopic perspective through molecular simulation. The effects of different temperature conditions on the adsorption and desorption of ethylene were studied. The result showed that the adsorption of ethylene by the PE/molecular sieve system decreased with the increase in temperature. When the temperature was higher than 298 K(normal temperature), the adsorption firmness decreased with the increase in temperature, and 277 K(low temperature) was the optimal adsorption temperature for ethylene in the PE/molecular sieve system.