Promoting the application of wheat green production technology is an important way to effectively realize the green development of the wheat industry. Here, we utilized the investigation data of microscopic farmers and members of an industrial consortium in the main wheat-producing areas of Hebei Province to conduct a systematic simulation of the diffusion of wheat green production technology based on the composition and factor relations of the diffusion system and explored its diffusion driving mechanism. The results showed that the diffusion effect of wheat green production technology could be significantly enhanced by improving the support of wheat green production technology research and development (R&D) through multiple channels, strengthening professional organization service and supervision responsibility, and improving the production skills of wheat farmers. Moreover, the diffusion mechanism of wheat green production technology should be coordinately constructed to focus on one system (improving the diffusion system of wheat green production technology) and five links (technology R&D, regulatory traceability, farmer cultivation, government support, and financial support for agriculture).