In the context of Industry 4.0, the level of workshop production automation has been greatly improved. Flexible flow workshops that produce multiple varieties and small batches of products have rich resources and complex processing procedures, where are featured by many constraints for the production scheduling and varying practical procedure of the production. Traditional production scheduling research is mostly based on mathematical methods by simplifying the production model to a mathematical model and using algorithms to find the optimal solution. This method is not accurate enough to model the realistic production process in the workshop, which leads to inadequate guidance for actual production. This paper proposes an optimization production scheduling method based on simulation model and establishes a systematic simulation-based flow shop scheduling framework. It uses a database as a bridge to external optimization algorithms and internal simulation models, and realizes intelligent production scheduling and simulation through real-time interaction. This research is able to accurately reflect the processing logic of the actual flow shop, and the result of scheduling shows that the proposed method has more practical significance for guiding the actual production process.