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      https://www.ias.ac.in/article/fulltext/pram/071/05/1165-1169

    • Keywords

       

      Neutron quasielastic scattering; porous materials; molecular dynamics.

    • Abstract

       

      We report here the quasielastic neutron scattering (QENS) studies on the dynamics of propylene inside Na-Y zeolite using triple axis spectrometer (TAS) at Dhruva reactor, Trombay. Molecular dynamics (MD) simulations performed on the system had shown that the rotational motion involves energy larger than that involved in the translational motion. Therefore, rotational motion was not observed in our earlier QENS studies on propylene adsorbed Na-Y zeolite using a higher resolution spectrometer at Dhruva. Analysis of the TAS spectra revealed that the quasielastic broadening observed in propylene-loaded zeolite spectra is due to the rotational motion of the propylene molecules. This is consistent with our simulation result. Further, the rotational motion is found to be isotropic. The rotational diffusion coefficient has been obtained.

    • Author Affiliations

       

      V K Sharma1 Mala N Rao1 Siddharth Gautam1 A K Tripathi2 V S Kamble2 S L Chaplot1 R Mukhopadhyay1

      1. Solid State Physics Division; Bhabha Atomic Research Centre, Mumbai 400 085, India
      2. Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085, India
    • Dates

       
  • Pramana – Journal of Physics | News

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