Computational characterization of zeolite porous networks: an automated approach

作者: Eric L. First , Chrysanthos E. Gounaris , James Wei , Christodoulos A. Floudas

DOI: 10.1039/C1CP21731C

关键词: AdsorptionNanotechnologyPore sizeComputer scienceCharacterization (materials science)Surface (mathematics)Aggregate (data warehouse)Porous networkMarkov chainBiological systemZeolite

摘要: An automated method has been developed to fully characterize the three-dimensional structure of zeolite porous networks. The proposed optimization-based approach starts with the …

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