In order to realize the purpose of indoor air purification and dehumidification at the same time, the mathematical model of heat and humidity and VOC coupling adsorption was established. The coupled adsorption characteristics of heat and humidity and VOC and the influence law of each factor were simulated by using VB program. The results show that the higher the inlet humidity is, the better the water desorption is, but not the adsorption and desorption of toluene. And the higher the inlet temperature of the treated air is, the more unfavorable the adsorption and regeneration of moisture and VOC is. Different toluene concentration in the inlet of air affected mainly its own adsorption and desorption, but had little effect on the adsorption and desorption of water. The increase of humidity in the inlet of regenerated air is not conducive to the desorption of water, but can promote the adsorption and desorption of toluene. The increase of inlet temperature of regenerated air can promote the adsorption and desorption of water and VOC. The coupling of heat and moisture and VOC on the runner can be adsorbed and purified at the same time.