In order to solve the water issues when 13X zeolite was applied to capture CO2 from wet flue gas by vacuum swing adsorption process, multi-layered adsorption system was considered regarding activated alumina F200 and silica gel based Sorbead WS as pre-layer materials. LBET (extended Largmuir-BET) model and extended CMMS (cooperative multimolecular sorption) equation were simulated respectively to describe water loading on F200 and Sorbead WS. The two equations can be well added into our in-house simulator to simulate double-layered CO2-VSA (vacuum swing adsorption) process. Results indicated that water can be successfully stopped in pre-layers with a good CO2 capture performance.