• Title of article

    Comments on “Shape-selective diisopropylation of naphthalene in H-mordenite: Myth or reality?”

  • Author/Authors

    Gyula Tasi، نويسنده , , Istv?n P?link?، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2011
  • Pages
    2
  • From page
    229
  • To page
    230
  • Abstract
    Recently, the reaction system of isopropylation of naphthalene over USY and H-mordenite zeolites was comprehensively treated experimentally as well as computationally by Buijs et al. . Results from both sources were used to discard shape selectivity as an explanation for the observed product distribution. In this contribution, it is shown that their computational argument cannot be used for this purpose, since after the improvement of their orthogonal projection method, it gives very similar results to those criticised in their paper.
  • Keywords
    Acidic zeolites , Alkane cracking , Molecular dynamics , Ab initio , Entropy effect , Transition path sampling
  • Journal title
    Journal of Catalysis
  • Serial Year
    2011
  • Journal title
    Journal of Catalysis
  • Record number

    1226213