One-pot synthesis of amino functionalized mesoporous silica materials: using simulations to understand transitions between different structures

摘要: The rich phase behavior of surfactants can be exploited to design materials with a given desired structure and properties. One example includes amino functionalized mesoporous silicas, which used in different environmental applications, including removal heavy metals from water CO2 separation purification. These applications may require high concentration functional groups, but the increased hybrid organic–inorganic precursors lead destruction liquid crystals or transformation into other phases. In this work, we modeled such systems using lattice Monte Carlo simulations analyzed distribution explain observed changes crystal structures. particular, that if precursor is sufficiently hydrophobic, it act as cosurfactant, swell core surfactant crystal, structures smaller interfacial curvature. On hand, acts cosolvent will solubilize leading preformed crystal.