基于微纳流控的气液相反应传递耦合机理研究

气液两相系统广泛存在于化学反应工程中，其中反应和跨界面传递的耦合机制，直接决定并影响了反应效率。因此，探究反应传递的耦合机制具有重要学术和工业意义。然而，利用传统反应器方法，无论从理论建模还是实验手段，都存在着一定缺陷。近年来新兴的微纳流控技术，呈现出样本微量化、传热传质快、表面体积比高、在线可视化、操作安全和具有受限空间尺度效应等一系列独一无二的优势。该研究以面向工业需求的双氧水氧化氮氧化物的反应为案例，拟通过微纳流控实验和有限元计算、分子模拟计算相结合的手段，系统性地研究气液两相系统中，包括1）气液混合效率，2）流态与气相表界面体积比，3）反应物浓度、温度和压强，4）界面阻力，5）界面形状和6）微纳受限空间尺度在内的六类因素，对反应速率和传递速率的微观调控机制；并最终寻找到反应传递的最佳耦合关系。该项目将可以深化对气液两相反应传递耦合机制的认知，并指导优化过程工艺和提升反应效率。

Gas-liquid biphasic systems are widely existed in a broad range of chemical reactions, where reaction efficiency is directly determined by the reaction-transport coupling mechanism. Understanding the coupling mechanism exhibits a great significance in both scientific and industrial merits. However, using conventional reactor methods brings in technical deficiencies in both theoretical simulations and experimental approaches. The rising micro/nanofluidic technology in recent years, demonstrates its exceptional advantages, including sample miniaturization, fast heat- and mass-transfer, high surface-volume-ratio, in-situ visualization, safe operation and unique micro/nano-confinement effect. .This research proposes a novel micro/nanofluidic experimental approach along with computational simulation (finite element computation and molecular simulation) to study the reaction-transport coupling mechanism in oxidation of NOx via hydrogen peroxide, a case study of gas-liquid biphasic reaction-transport system for industrial demand. Specifically, this work will systematically investigate six types of factors that govern and regulate the reaction rate and transport rate, i.e. 1) gas-liquid mixing efficiency, 2) flow regime and surface-volume-ratio, 3) reactant concentration, temperature and pressure; 4) cross-interface resistance; 5) interface shape, and 6) micro/nano-confinement effect, all of which lead us to find an optimized coupling mechanism between reaction and transport. This research will provide a deep understanding in reaction-transport coupling mechanism of gas-liquid biphasic systems and help optimizing the process towards a higher reaction efficiency.