Application of COSMO-RS in Investigating Ionic Liquid as Thermodynamic Hydrate Inhibitor for Methane Hydrate

Muhammad Saad Khan, Chin Seng Liew, Kiki A. Kurnia, Bavoh Cornelius, Bhajan Lal

Research output: Contribution to journalConference articlepeer-review

51 Citations (Scopus)


Gas hydrate formation in oil and gas pipelines has resulted in flow assurance issues. To mitigate hydrate formation, recently, ionic liquid (IL) inhibitors have been studied frequently using experimental method. However, experimental testing alone is insufficient to examine all potential ionic liquid combinations due to large amounts of cation and anion. Therefore, in this work, the thermodynamic inhibition ability of ILs have been predicted based on its fundamental property, or specifically hydrogen bonding energy. For this, Conductor-Like Screening Model for Real Solvent (COSMO-RS) software is used to simulate and study the fundamental property of IL-hydrate system. Relationship between IL inhibition ability and hydrogen bonding energy is then justified. The pattern of relationship is next applied to rank the IL inhibition ability. Through this method, pre-screening of ineffective ILs can be conducted and hence narrows down the scope of ILs waiting to be tested experimentally. As consequence, effective thermodynamic hydrate inhibitor could be discovered faster and be applied in industry.

Original languageEnglish
Pages (from-to)862-869
Number of pages8
JournalProcedia Engineering
Publication statusPublished - 2016
Externally publishedYes
Event4th International Conference on Process Engineering and Advanced Materials, ICPEAM 2016 - Kuala Lumpur, Malaysia
Duration: 15 Aug 201617 Aug 2016


  • correlation
  • hydrate inhibitor
  • hydrogen bonding energy
  • ionic liquid
  • total interaction energy


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