Experimental and DFT Approach on the Determination of Natural Gas Hydrate Equilibrium with the Use of Excess N2 and Choline Chloride Ionic Liquid as an Inhibitor

Mohammad Tariq, Mert Atilhan, Majeda Khraisheh, Enas Othman, Marcelo Castier, Gregorio García, Santiago Aparicio, Bahman Tohidi

Research output: Contribution to journalArticle

16 Citations (Scopus)


This work presents the characterization of hydrate-forming conditions of a Qatari natural gas-type mixture, QNG-S1, obtained using two different experimental methods, namely, a benchtop reactor and a gas hydrate autoclave. The obtained experimental results were found to be in agreement with each other. Another mixture in which the QNG-S1 sample was diluted with nitrogen (N2) in a 1:1 ratio was also characterized for hydrate dissociation conditions using a rocking cell apparatus only. The thermodynamic hydrate inhibition effect of a biocompatible ionic liquid, choline chloride (ChCl), was tested for both QNG-S1 and QNG-S1+N2 at two concentrations (1 and 5 wt %) using the rocking cell apparatus. It was found that the ChCl shows a typical classical thermodynamic inhibitor behavior for both tested mixtures QNG-S1 and QNG-S1+N2 by shifting the hydrate equilibrium toward lower temperature and higher pressure. Likewise, the interaction between ChCl and model hydrate cages was analyzed using density functional theory to characterize the ionic liquid inhibition mechanism at the nanoscopic level.

Original languageEnglish
Pages (from-to)2821-2832
Number of pages12
JournalEnergy and Fuels
Issue number4
Publication statusPublished - 21 Apr 2016


ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology

Cite this