狭小密闭舱内多级金属有机骨架填充吸附床内吸附过程热质传递机理研究

The harmful gases with low concentration and multicomponent characteristics in confined cabins such as the manned spacecraft and submarine are a serious threat to the safety of persons in confined cabins. Based on the fact that the adsorption bed system filled with traditional single adsorption material (metallic oxide, 5A zeolite and solid amine) cannot remove all harmful gases in the cabin at the same time, this project puts forward the adsorption bed structure filled with multi-stage and variety of the metal-organic framework (MOF) particles. MOF materials are of particular interest because of the easy tunability of their pore size and shape. The multilayer adsorption bed is filled with the optimal MOF particles for each layer, to achieve higher harmful gas purification rate, smaller volume and lighter weight of the adsorption bed. This project intends to establish the rapid screening model. The quantitative structure-property relationships between MOFs' adsorption performance and structures and physical properties are explored, and the MOFs materials with best adsorption performance are obtained. A self-coupled model applicable to multi-scale cyclic adsorption process model is built. The multi-scale coupling transport mechanisms, which coexist of the fluid flow and heat transfer, competitive adsorption and diffusion in the multicomponent, and gas adsorption process with big concentration difference are formulated. The impact of bed structures and process operation parameters on the comprehensive performance of cyclic adsorption process is will be revealed and the optimization design criterion is also developed. The achievements can provide theoretical guidance for the design of the device with lighter weight, smaller volume and higher efficiency.

载人航天器、潜艇等狭小密闭舱内产生的多组分、低浓度特性的有害气体严重威胁到人员生命安全。针对传统单一吸附材料（金属氧化物、5A分子筛和固态胺）填充的吸附床系统无法同时去除舱内全部有害气体的缺陷，本项目提出多级多种金属有机骨架（MOFs）颗粒填充的吸附床结构。利用MOFs性能易控的优势，将对舱内不同类型气体吸附性能最优的MOFs依次多层填充到吸附床内，以达到提高舱内有害气体净化率、降低床层体积和质量的目的。本项目拟建立快速筛选模型，探究MOFs吸附特性与结构和物性之间的定量构效关系，筛选最优性能MOFs，揭示竞争吸附机理。构建多尺度自耦的过程吸附模型，阐明多组分、大浓度差特性的气体在床层内吸附过程中流动传热、竞争吸附和扩散并存的多尺度耦合输运机制；揭示床层结构和过程操作参数对过程吸附综合性能的影响规律，获得优化设计准则，为狭小密闭舱内质轻、体积小及高效去除性能的装置设计提供理论指导。

载人航天器、潜艇等狭小密闭舱内产生的多组分、低浓度特性的有害气体严重威胁到人员生命安全。针对传统单一吸附材料（金属氧化物、5A分子筛和固态胺）填充的吸附床系统无法同时去除舱内全部有害气体的缺陷，本项目提出采用金属有机骨架（MOFs）颗粒填充的吸附床结构，以达到提高舱内有害气体净化率、降低床层体积和质量的目的。本项目建立了快速筛选模型，探究了MOFs吸附特性与结构和物性之间的定量构效关系，筛选最优性能MOFs，揭示竞争吸附机理。构建多尺度耦合的过程吸附模型，阐明了多组分、大浓度差特性的气体在床层内吸附过程中流动传热、竞争吸附和扩散并存的多尺度耦合输运机制；揭示床层结构和过程操作参数对过程吸附综合性能的影响规律，获得了优化设计准则，为狭小密闭舱内质轻、体积小及高效去除性能的装置设计提供理论指导。在项目支持下共发表学术期刊论文16篇，其中SCI检索论文15篇，中文EI期刊论文1篇，国际会议2次，特邀报告1次。授权中国发明专利6项。协助培养2名硕士生获硕士学位。项目负责人荣获陕西省科技进步二等奖1项（排第6）及航空学会科技进步三等奖1项（排第7）。