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A novel two-way coupling multi-scale model was proposed to investigate the catalytic distillation process. In the model, a microscopic model that focuses on the reactive performance of structure catalytic packing was used to calculate actual rate for catalytic distillation process, which is the basic parameter for process simulation. Furthermore, the traditional process simulation was used to provide proper boundary conditions for microscopic model. In order to validate the multi-scale model, heterogeneously catalyzed hydrolysis of methyl acetate was employed as a test system. The simulated final conversions of methyl acetate and catalyst layer efficiency factors were in good agreement with experimental results. The results indicated that as the equivalent diameter of catalyst layer decreases from 25.4 mm to 8.1 mm, the catalyst layer efficiency factor rises to 200% approximately. This study could provide a theoretical guide for the optimization of catalytic packing structure. [ABSTRACT FROM AUTHOR]

• The efficiency factor that considers the catalyst layer structure was obtained. • A multi-scale and multi-objective model was proposed for catalytic distillation. • The parameters of column, and the structure of catalyst layer were optimized. This work aims to establishing a multi-scale and multi-objective optimization strategy for the catalytic distillation process. Firstly, the catalyst layer efficiency factor correlation that embraces the influence of the catalyst layer structure was obtained and then coupled with the process simulation to establish a multi-scale model for the catalytic distillation process. On this basis, genetic algorithm was employed to realize the multi-objective optimization. The hydrolysis process of methyl acetate in the reactive dividing wall column was investigated. The equipment parameters and operational conditions of the catalytic distillation column, and the structure parameters of the catalyst layer are optimized simultaneously. The results indicated that the minima of the total annual cost, the gas emission cost and the exergy loss decrease by 19.26%, 23.11% and 67.27%, respectively, by comparing with the counterparts obtained from the single-factor sensitivity analysis. Furthermore, the catalyst cost decreases by 30.88% per year. [ABSTRACT FROM AUTHOR]