The Effect of Methanol on 512 Methane Hydrate Cage Cluster ¬– A Molecular Dynamics Study

Authors

  • Pal S Department of Metallurgical and Materials Engineering, National Institute of Technology Rourkela, Rourkela, India
  • Kundu T. K Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, Kharagpur, India

DOI:

https://doi.org/10.37591/jopet.v4i2.2098

Abstract

Molecular dynamic simulation study of methane hydrate cluster having 27 methane encapsulated pentagonal dodecahedron (512) hydrate cage with and without presence of eight methanol molecules in supercell has been performed to evalute the effect of methanol on the stability and formation of methane hydrate cluster. Methanol is found to act as an effective methane hydrate inhibitor below 30 atm pressure for 240 K and below 90 atm pressure for 250 K. The prediction by this molecular dynamics simulation study is found to be well corresponds with reported experimental results.

 

Keywords: Methane hydrate, Pentagonal dodecahedron, Gas hydrate inhibitor

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Published

2019-04-08

Issue

Vol. 4 No. 2 (2014)

Section

Articles