While the sustainability of grain production has been extensively studied, there have been few studies focusing on the impact of grain policy adjustment on its sustainable production, and the quantitative relationship between these two aspects and the internal mechanism is not completely clear. The main objective of this paper was to explore the impact of grain purchase and storage policy (GPSP) adjustment on its green productivity by expounding the evolution logic and influence mechanism of GPSP. Therefore, taking maize production as an example, this paper constructs the analysis framework of the evolution logic and influence mechanism, and the super-epsilon-based measure model (Super-EBM) is adopted to measure maize green productivity (MGP) in main producing areas from 1997 to 2019, then two groups of difference-in-differences (DID) models are constructed to study the influence of the temporary purchase and storage policy (TPSP) and the producer subsidy policy (PSP) on MGP. The main conclusions include: the implementation of TPSP reduces MGP in Heilongjiang, Jilin, Liaoning and Inner Mongolia (experimental group), whereas the implementation of PSP improves MGP in these provinces is due to the difference in policy effects under the different regulatory objectives and measures; under the demonstration effect of two policies, the increase in effective irrigation and agricultural financial expenditure are important factors to improve MGP, but the backwardness of agricultural mechanization has been hindering the improvement of MGP; after the reform from TPSP to PSP, the continuous increase in production capacity hinders the improvement of MGP under the support effect, the impacts of farmers’ income and agricultural production price on MGP both shift from negative to positive under the wealth effect, and the influence of production agglomeration on MGP shifts from negative to positive under the siphon effect. The excessive implementation of GPSP has seriously affected the sustainability of grain production, thus, this study has certain practical significance and guiding value. The paper emphasizes that the effective way to achieve sustainable food production is to combine the adjustment of GPSP with improving the subsidy mechanism, enhancing the agricultural mechanization and maintaining the appropriate scale of operation.