Abstract: 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.