eprintid: 15965
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/01/59/65
datestamp: 2023-11-10 03:30:36
lastmod: 2023-11-10 03:30:36
status_changed: 2023-11-10 02:00:52
type: article
metadata_visibility: show
creators_name: Hussain, H.H.
creators_name: Husin, H.
title: The effect of synergistic amino acids-ionic liquids in methane hydrate inhibition by COSMO-RS application
ispublished: pub
keywords: Amino acids; Hydration; Hydrogen bonds; Ionic liquids; Molecules; Negative ions; Positive ions, Conventional methods; Experimental testing; Hydrate formation; Hydrate inhibition; Hydrate inhibitors; Interaction characteristics; Methane hydrates; Screening approaches, Gas hydrates
note: cited By 10
abstract: Gas hydrates solid deposition in pipelines has caused critical flow assurance issues especially in the transportation of hydrocarbons. The gas hydrates occurrence can be mitigated via mechanical and chemical methods; however, the latter are found to be more feasible. Ionic liquids have received considerable attention due to their dual function capabilities in the inhibition of hydrates. Amino acids have also demonstrated potentials as hydrate inhibitors due to their inherent zwitterion interaction characteristics. With these attributes demonstrated by both ionic liquids and amino acids, their synergistic performances in the prevention of hydrate formations were investigated in this research. Due to their unlimited number of cationic and anionic combinations, experimental testing is time consuming and associated with great cost. Hence, a pre-screening approach is applied to study the potential of these synergistic formulations to perform as hydrate inhibitors using COSMO-RS software. There are 91 synergistic amino acids-ionic liquids (AACILs) with combinations of ionic liquids as cations and amino acids as anions were studied in this research. However only the five most performing AACILs are highlighted in this manuscript. Choline aspartate was found to be the most performing synergistic AACIL due to its hydroxyl chain and hydrogen bonding affinity to water molecules, by showing the highest hydrogen bonding energy, EHB of �44.13 kcal/mol. When each cation was tested individually, it was revealed that choline achieved the highest EHB (�5.554 kcal/mol), while tetrabutyl ammonium showed the lowest EHB (�0.278 kcal/mol). Besides that, aspartate with EHB of �38.60 kcal/mol became the most performing anion while serinate with EHB of �27.38 kcal/mol was taken as the least performing anion. The outcome of this research has provided critical understanding on the potential of AACILs as an alternative to the conventional methods of hydrate inhibition. © 2020
date: 2021
publisher: Elsevier B.V.
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85097238873&doi=10.1016%2fj.molliq.2020.114837&partnerID=40&md5=ca96b62656adf50ebca0b4265c188a73
id_number: 10.1016/j.molliq.2020.114837
full_text_status: none
publication: Journal of Molecular Liquids
volume: 321
refereed: TRUE
issn: 01677322
citation:   Hussain, H.H. and Husin, H.  (2021) The effect of synergistic amino acids-ionic liquids in methane hydrate inhibition by COSMO-RS application.  Journal of Molecular Liquids, 321.   ISSN 01677322