Molecular design of high performance zwitterionic liquids for enhanced heavy-oil recovery processes

• Published in: Journal of molecular graphics & modelling Vol. 80; pp. 264 - 271
• Main Authors: Martínez-Magadán, J.M., Cartas-Rosado, A.R., Oviedo-Roa, R., Cisneros-Dévora, R., Pons-Jiménez, M., Hernández-Altamirano, R., Zamudio-Rivera, L.S.
• Format: Journal Article
• Language: English
• Published: United States Elsevier Inc 01.03.2018
• Subjects: Density functional theory; Enhanced oil recovery; Geminal zwitterionic liquids; Supramolecular chemistry; Density functional theory; Enhanced oil recovery; Geminal zwitterionic liquids; Supramolecular chemistry
• ISSN: 1093-3263; 1873-4243
• DOI: 10.1016/j.jmgm.2018.01.017

[Display omitted] •Molecular Design.•Enhanced Heavy-Oil Recovery Processes.•Molecular modeling through Density Functional Theory.•Geminal zwitterionic liquids.•Supramolecular chemistry. Branched gemini zwitterionic liquids, which contain two zwitterionic moieties of linked quaternary-ammonium and carboxylate groups, are proposed as chemicals to be applied in the Enhanced Oil Recovery (EOR) from fractured carbonate reservoirs. The zwitterionic moieties are bridged between them through an alkyl chain containing 12 ether groups, and each zwitterionic moiety has attached a long alkyl tail including a CC double bond. A theoretical molecular mechanism over which EOR could rest, consisting on both the disaggregation of heavy oil and the reservoir-rock wettability alteration, was suggested. Results show that chemicals can both reduce the viscosity and remove heavy-oil molecules from the rock surface.