Simultaneous modeling and optimization of nonlinear simulated moving bed chromatography by the prediction–correction method

This work demonstrates a systematic prediction–correction (PC) method for simultaneously modeling and optimizing nonlinear simulated moving bed (SMB) chromatography. The PC method uses model-based optimization, SMB startup data, isotherm model selection, and parameter estimation to iteratively refine model parameters and find optimal operating conditions in a matter of hours to ensure high purity constraints and achieve optimal productivity. The PC algorithm proceeds until the SMB process is optimized without manual tuning. In case studies, it is shown that a nonlinear isotherm model and parameter values are determined reliably using SMB startup data. In one case study, a nonlinear SMB system is optimized after only two changes of operating conditions following the PC algorithm. The refined isotherm models are validated by frontal analysis and perturbation analysis.

► Developed systematic method for simulated moving bed (SMB) process development. ► Method uses SMB startup data to simultaneously model and optimize the process. ► Steps of method follow systematic algorithm with no requirements for manual tuning. ► This method shown to optimize a nonlinear SMB system in only hours. ► Estimated nonlinear parameters are validated by frontal analysis and perturbation.