In chemical production design

reactors are usually designed only based on experimental data and practical experience

especially in the case of complicated chemical reaction. Due to the absence of an effective model that simulates and predicts the behavior of the reaction systems

the systems are often not operated under optimal conditions

resulting in an increase in costs or a decrease in desired reaction product. Therefore

a model is needed to optimize the system. Starting from atomic scope

this paper will use an algebraic analysis modeling method to explore the relation among components in complicated chemical reaction

seek all possible reaction steps

and establish plausible reaction network. Specifically

the reaction model will be developed using Aspen

and the best approximation that describes the complicated chemical reaction will be analyzed and chosen. In conjunction with the model and its implication

it will allow optimization of the design and even control over the direction of the reaction. In this paper

coal gasification reaction will be optimized by this method.