摘要 : Background: The combination of flow chemistry and microreactor technology is emerging in the modern chemical industry. It can link chemical engineering, organic synthesis, and green chemistry, which provides a safety guarantee for... 展开 Background: The combination of flow chemistry and microreactor technology is emerging in the modern chemical industry. It can link chemical engineering, organic synthesis, and green chemistry, which provides a safety guarantee for dangerous chemical processes.Method: In view of the advantages of continuous flow synthesis, a more efficient method for the synthesis of 3,5,5-trimethylhexanoyl chloride from triphosgene and 3,5,5-trimethylhexanoic acid catalyzed by N, N-dimethylformamide was obtained by using silicon carbide microreactor, which was reported for the first time. Computational fluid dynamics (CFD) simulation of single-phase flow in an advanced microreactor was carried out with OpenFOAM software. The flow lines, lag zone, velocity distribution, pressure field, and residence time distribution (RTD) were obtained at different flow rates (5-100 mL/min).Significant findings: A continuous flow process for the 3,5,5-trimethylhexanoyl chloride with a 91% isolated yield has been reported. Triphosgene and 3,5,5-trimethylhexanoic acid were used as starting materials to achieve excellent results in the silicon carbide flow reactor, which could tolerate the corrosion of chloride ions at 55 celcius and 0.8 MPa. In the continuous flow process, based upon the cyclic feed reaction method, the product was obtained with sufficiently high 3,5,5-trimethylhexanoic acid conversion (> 99%) and product 3,5,5-trimethylhexanoyl chloride selectivity (95%). The throughput reached 0.35 kg/h, and the purity of the final product was greater than 90% by distillation, which was in accordance with the needs of production. This new process using more polar tetrahydrofuran as the solvent was time- and cost-effective, and the obtained product had a higher yield, brighter color, and less impurity. With the increase of the flow velocity, the stagnation area and the swirling intensity increased slightly, but the velocity and pressure distribution in each mixing unit were relatively uniform. Additionally, the reactor had symmetric RTDs at all flow rates. Due to the larger flow rate, the Peclet number was increased and the axial dispersion was reduced, with the result of a narrower RTD curve. 收起