发电厂烟气中CO2是主要碳排放源之一,利用沸石膜孔径大小进行CO2分离则是实现碳中和、降低碳排放的重要手段。然而,在高温高压气体环境下使用沸石膜分离烟气时,沸石与载体结合并不紧密,易导致膜层在分离烟气过程中破裂或与载体发生剥离,为沸石膜大规模分离CO2提出挑战。综述了沸石与载体之间的结合方式以及结合力特性,并对定量表征结合力强弱的方法进行归纳、总结。结果表明,Decadodecasil3R(DD3R)沸石具有全硅结构及介于CO2/N2分子大小的孔隙尺寸,可与经过酸处理的陶瓷载体形成相对稳固的共价键,从而形成结合紧密的沸石膜。即使在水蒸气影响下,该膜仍能有效实现烟气中CO2/N2分离;传统试验方法(如超声法、划痕法和压痕法)在研究载体、沸石和改性剂界面的结合力时无法提供详细数据,分子模拟能有效弥补这些不足,在原子尺度上模拟材料界面的结合情况并进行量化,从而为筛选最优的载体改性方法提供了坚实的理论基础。

One of the primary sources of carbon emissions is CO2, which may be separated from flue gas in power plants using zeolite membranes with different pore sizes. This technique is crucial for achieving carbon neutralization and lowering carbon emissions.The connection between the zeolite and the carrier is not strong when zeolite membranes are used to segregate flue gas in high-temperatureand high - pressure gas conditions. It can easily cause the membrane layer to rupture or peel off the carrier during the flue gasseparation, making large-scale zeolite membrane separation difficult. The binding modes between zeolites and carriers and the characteristics of the binding force were reviewed, and the methods for quantitatively characterizing the binding force were summarized. The resultsshow that the all-silica Decadodecasil 3R (DD3R) zeolite, which has pore diameters between CO2 / N2 molecules, may form strong covalent solid connections with the ceramic carrier that has been treated with acid, producing a zeolite membrane that is tightly attached. Evenin the presence of steam, the membrane efficiently separates CO2 / N2 from flue gas. Traditional experimental methods (such as ultrasonication, scratching, and indentation) cannot provide detailed data when examining the bonding at the interface between the carrier, zeolite,and modifier. However, molecular simulation can compensate for these shortcomings by simulating and quantifying the bonding at the material′s interface at the atomic scale, offering a robust theoretical foundation for selecting the best carrier modification technique.

0 引言

1 沸石膜用于烟气分离

2 载体及改性方式

3 结合力

   3.1 结合力类型

   3.2 结合力量化方法

4 结语及展望