Integrated CFD analysis, fault diagnosis, and dynamic simulation of methyl acetate synthesis in a solar assisted reactive distillation column

This study presents a comprehensive framework integrating experimental, computational, and intelligent control strategies for the sustainable synthesis of methyl acetate in a solar assisted reactive distillation column. A pilot scale RD system, thermally powered by an evacuated tube collector, was experimentally evaluated under varying operational parameters to achieve a high product purity (>99%) with a reboiler heat input of 1.5 kW and operating at a reflux ratio of 3. To gain spatial insights into internal column dynamics, a three-dimensional computational fluid dynamics model was developed using actual geometric and process conditions. The CFD results validated experimental observations, accurately capturing component distribution and temperature gradients across column zones, and confirmed the effective operation of the reactive zone with minimal carryover. To ensure operational robustness, a variational autoencoder based anomaly detection model was trained on real time temperature time series data, successfully identifying process deviations such as heat fluctuations and tray flooding. Upon anomaly detection, a dynamic control strategy using PID regulation was implemented, demonstrating rapid stabilization of the system within 6 min, enhancing both conversion and safety. Dynamic simulation further validated the absence of unwanted reactions in nonreactive zones and confirmed effective kinetic behavior under controlled conditions. This integrated approach demonstrates the viability of solar driven RD systems as a sustainable alternative for continuous esterification, while offering a scalable methodology for real time monitoring, fault diagnosis, and intelligent process control.