Abstract
Classical MD simulations for surfactant-bromide-water solutions containing several organosilicate precursors show that the presence or absence of molecular-scale periodicity in the pore walls of PMOs is dictated by the strength of the surfactant micelle-organosilica interaction and by the relative flexibility and orientation of the organic linker.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Bromides / chemistry*
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Molecular Dynamics Simulation
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Organosilicon Compounds / chemical synthesis*
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Organosilicon Compounds / chemistry
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Porosity
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Surface Properties
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Surface-Active Agents / chemistry*
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Water / chemistry
Substances
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Bromides
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Organosilicon Compounds
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Surface-Active Agents
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Water