复杂流场下旋流反应器内混合多尺度定量表征及反应-分离耦合研究

As the quality of oil product upgrades while environmental requirement is much stricter, the process of isobutene alkylation catalyzed by ionic liquid（IL） has attracted great attentions. The physicochemical properties of ionic liquids determine their unique alkylation reaction kinetics and transfer process. The development of a new type of adaptive reactive separation device is very important. In order to guide the design and optimize of the reactive separation device, it is necessary to deeply understand the chemical engineering fundamentals for ILA, namely the characteristics of the transport phenomena and reaction kinetics. Based on the cyclone reactor with twin twist flow in which the reaction and separation can occur respectively and simultaneously, the internal relations between the influence factors such as operation parameters and physical parameters and affection of these factors on the macro mixing and micro-mixing change in the cyclone reactor are analyzed. The mixing factor model and prediction model of droplet size considering flow characteristic are established to multiscale quantitative characterization the mixing behavior. The lumped reaction kinetics model is established based on the investigation of reaction rule in the cyclone reactor. Establishment of integrated reaction-separation model is also done via coupling of the processes of reaction and separation. The macroscopic control law is obtained base on study of the quantitative relation among the operation parameters, physical property parameters and the mixing, reaction and separation behavior. The subject aims to lay a theoretical foundation for the design and operation optimization of the cyclone reactor for the ionic liquids catalyzed isobutene alkylation.

随着环保日渐严格和汽油标准升级步伐的推进，烷基化油及离子液体烷基化工艺引起了炼油行业的极大关注。离子液体的物化性质决定了其独特的烷基化反应动力学和传递过程，直接导致了需开发更具有适应性的新型反应分离设备来与其相匹配。因此，亟需加强与离子液体烷基化相关的三传一反过程研究，指导反应分离装置的设计和优化。本项目在已开发的可实现混合分离一体化旋流反应器基础上，分析操作参数、物性参数等影响因素所内在关联的旋流反应器内宏观混合和微观混合上的变化，建立混合因子模型和考虑流动特性的液滴尺寸预测模型，确定反应器内混合的多尺度定量表征；研究旋流反应器内烷基化反应规律，建立集总反应动力学模型，并将反应与分离过程耦合，建立反应器内反应-分离模型；探究操作参数、物性参数与反应器内混合、反应和分离的定量关系，揭示旋流反应器调控规律，为复合型离子液体碳四烷基化用旋流反应器的设计及操作优化奠定理论基础。

随着环保要求日渐严格和汽油标准不断升级，绿色离子液体烷基化工艺引起了炼油行业极大关注。该工艺要求配套装备具有混合强度高、传递性能好及反应产物实时分离等特性。而新型反应-分离设备能否满足工艺要求就需对其内三传一反等工程基础问题开展研究。本项目在已提出的旋流反应器基础上，采用实验研究、数值模拟和理论分析相结合的方法对旋流反应器内混合、反应及分离开展研究。首先，基于旋流反应器内速度场及浓度场分布特征，确定了旋流反应器内混合与分离区域以及相反转位置。提出了轻相含率偏差度和混合因子定量表征旋流反应器宏观混合行为；采用修正的CFD-PBE模型研究了反应器内液滴尺寸分布，计算了相接触面积，定量表征旋流反应器内微观混合行为。其次，对旋流反应器内烷基化反应开展研究，建立了五集总反应动力学模型，确定了旋流反应器内较适宜的操作条件：反应温度为273K、酸烃比1：1、烷烯比54：1。利用两相液体回收率及综合效率评价分离效率，旋流反应器综合效率在80%左右；利用两相出口压降比评价分离能耗，两相出口压降均小于0.15MPa；基于操作参数、物性参数等对双旋流耦合式反应器内流动、混合、反应及分离等过程的影响机制，分别建立了反应器压降模型、分离效率模型、混合因子模型、液滴尺寸预测模型和转化率模型；对旋流反应器内液液流动、混合、反应及分离过程进行耦合分析，明确了旋流反应器各过程调控规律，为复合型离子液体碳四烷基化用旋流反应器的设计及操作优化奠定理论基础。