The effective period of molecular membrane injection technique depended on the molecular adsorption performance onto the surface of reservoir rock. In order to prolong the effective period of molecular membrane injection technique，the adsorption of some cationic compounds onto the rock surface was simulated by the method of molecular mechanics and Monte Carlo. According to the results of molecular simulation，the three quaternary ammonium of alkyl fatty amine polyoxyethylene ether（AFATQA）was designed as a new molecular film injection agent. Its adsorption energy and drag reduction effect were calculated. Then AFATQA was synthesized and the structure of synthetic product was characterized. Its comprehensive performance evaluation was carried out by laboratory experiments，and the molecular membrane composite measure was implemented in Shengli oilfield. Molecular simulation results showed that the single molecule adsorption energy increased with the increase of hydrophobic chain length or charge density. Acyl amine groups and hydroxyl could improve the single molecule adsorption energy. It simulated that AFATQA had a high adsorption energy（-155.51 kcal/mol）and a significantly drag reduction effect. The synthesized AFATQA based on the disigned model could adsorbed on the surface of rock. The Zeta potential and the contact angle increased on the surface of rock with increasing AFATQA concentration，AFATQA’s swelling rate also increased. The core flooding experiment results showed that AFATQA could effectively reduce the injection pressure. After the molecular film composite measure was applied in L37-34 well，the increasing injection effect was obvious. It showed that the water injection increased，the water injection pressure reduced，the corresponding oil production increased，water content decreased and the dynamic liquid level rose.