Reaction Kinetics and Simulation of Nonivamide Batch Reaction Process

The nonivamide batch reaction process primarily relies on empirical production knowledge, with a notable absence of systematic research. This study for the first time systematically investigates the reaction kinetics of nonivamide synthesis by integrates experimental methods, employing the RC1e calorimeter to ensure reaction safety, and investigates the reaction kinetics of capsaicin synthesis. It innovatively combines the RC1e calorimeter and Aspen Plus software to carry out reaction safety evaluation and process parameter optimization: it uses the Aspen Plus software, incorporating the NRTL thermodynamic model, to simulate the batch reaction stages and conduct dynamic simulations. The study validates the reliability of kinetic equations derived from these simulations. It also examines the impacts of the reactant molar ratio (The molar ratio referred to below indicates C9H17ClO: C8H12ClNO2), feed temperature, and feed rate on product yield, leading to the optimization of operational parameters. The results reveal that at 40°C, the reaction rate constant for this synthesis process is 0. 1486 L/ (mol · s), with the kinetic equation expressed as k = 34960. 37e^ (−100911/RT). In terms of optimizing product yield, the findings indicate that a reactant molar ratio of 1. 1: 1 enhances the yield by 1. 934 percentage points; a feed temperature of 38°C improves the yield by 1. 889 percentage points; and maintaining a feed duration of 60 minutes further increases the yield by 0. 055 percentage points, building on the optimized temperature conditions. The optimized parameters can realize a stable increase of 3. 878 percentage points in the yield of industrial nonivamide production, control the adiabatic temperature rise below 11. 415°C, and reduce the load of the reactor cooling system by about 15%, which provides reliable kinetic models and engineering operation parameters for the industrial scale-up of nonivamide synthesis and solves the engineering problems of yield fluctuation and high safety risk caused by empirical operation.