旋转填充床内离子液回收挥发性有机物机理研究

Environment protection aiming at volatile organic compounds (VOCs) is a critical issue for national economy and the people's livelihood. Furthermore, the VOCs are generally of great value for recycling. For example, there are 470 thousand tons of VOCs only for light oil in the chemical engineering industry annually and the recovery value of which can be up to 200 million yuan. Whereas, existing technologies lose to completely cover the reduction methods of the enormous kinds of VOCs or fulfill the both demands of emission reduction and recycling. Consequently, developments and constructions of new technologies to control and recycle VOCs are of great significance.. Based on our previous studies, we found that ionic liquids (ILs) are the desirable agents for VOCs emission reduction and recycling. However, there are two obstacles on the way which are ① a tailor-made ILs molecules of the targeted VOC molecules and ② their absorption and desorption behavior in a plant scale reactor which is adaptive of ILs-VOCssystems with high viscosity.. Accordingly, research objectives are innovatively proposed as follows: ① to establish the molecule design principle of representative VOCs-ILs systems by quantum chemistry and COSMO-RS simulation and reveal the absorption/desorption mechanism and related thermodynamic properties ; ② to build the liquid-vapor interface model of ILs-VOCs on the microscale based on the molecular dynamics simulations and study the interface structure and the dissolve, adsorption, and desorption process under nonequilibrium conditions; ③ to construct the mass transfer model of ILs-VOCs system with high viscosity in rotating packed bed reactor on the macroscale and form a scientific foundation for the intrinsic mechanism and apparent relationship, which will provide basis for the control of VOCs with recycling.

挥发性有机物（VOCs）治理是关系国计民生的重大工作且普遍具回收价值。仅化工行业，只轻质油类VOCs排放量就达47万吨/年，回收价值达2亿元。但现有技术难以完全覆盖或兼顾治理与VOCs资源化回收利用，因此，创制VOCs资源化治理技术意义重大。. 离子液是一种理想的治理与回收VOCs的体系，但是①适配VOCs分子的离子液设计、筛选是难点；②适配高粘ILs-VOCs体系特性的工业反应器的吸收与解吸理论基础欠缺。.基于此，我们创新性提出①建立基于量子化学、COSMO-RS模拟的典型VOCs的离子液吸收剂分子设计方法，揭示吸收解吸分子机理及热力学性质；②以分子动力学等为工具在微观层面建立ILs-VOCs体系气液相模型，研究其结构和非平衡状态下的溶解、吸收、解吸过程；③建立宏观层面超重力反应器内高粘体系ILs-VOCs传质模型，形成本征机理及表观关系之科学基础，为资源化治理VOCs提供思路。

挥发性有机物（VOCs）治理是关系国计民生的重大工作且普遍具回收价值。但现有技术难以完全覆盖或兼顾治理与VOCs资源化回收利用，离子液体（ILs）具有蒸汽压极低及分子可设计性等特点，是一种理想的治理与回收VOCs的体系，因此研究适配VOCs分子的离子液设计、筛选，以及适合高粘ILs-VOCs体系特性的工业反应器的吸收与解吸理论，并用于推广VOCs资源化技术应用具有重要意义。.在本项目研究过程中，选取了二氯甲烷、丙酮、二甲苯、三氯乙烯、氯苯等几种典型VOCs分子，基于COSMO-RS模拟、量子化学、分子动力学等工具，从微观尺度对筛选出适配的离子液在吸收、解吸VOCs分子的动态行为过程进行计算、建立了ILs-VOCs气液相界面模型，通过计算模拟，研究了气液相界面非平衡状态下的微观结构，揭示其构效关系。并对筛选出的离子液与VOCs体系（ILs-VOCs）分子之间的微观相互作用等相关热力学性质进行研究和预测。.旋转填充床（RPB）具有极大强化气液传质特性，作为吸收设备具有极大的优势，我们分别实验研究了超重力解吸含有丙酮的[Omim]BF4离子液体，利用旋转填充床进行离子液体吸收二甲苯，利用填料吸收塔进行离子液体吸收三氯乙烯模拟废气。通过RPB内的流体力学特征来研究离子液与VOCs分子之间的传质规律。.以分子动力学等为工具在微观层面建立ILs-VOCs体系气液相模型，研究其结构和非平衡状态下的溶解、吸收、解吸过程；针对离子液体的高粘度特性，结合超重力反应器的性能特点，实验研究了高粘体系ILS-VOCs在超重力反应器中的传质过程和最佳操作参数，基于以上研究，构建超重力旋转床宏观层面上反应器内的ILs-VOCs吸收、解吸传质模型，形成了超重力旋转床法离子液资源化治理VOCs之科学基础。