TY - JOUR
T1 - Molecular design of high performance zwitterionic liquids for enhanced heavy-oil recovery processes
AU - Martínez-Magadán, J. M.
AU - Cartas-Rosado, A. R.
AU - Oviedo-Roa, R.
AU - Cisneros-Dévora, R.
AU - Pons-Jiménez, M.
AU - Hernández-Altamirano, R.
AU - Zamudio-Rivera, L. S.
N1 - Publisher Copyright:
© 2018
PY - 2018/3
Y1 - 2018/3
N2 - 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 C[dbnd]C 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.
AB - 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 C[dbnd]C 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.
KW - Density functional theory
KW - Enhanced oil recovery
KW - Geminal zwitterionic liquids
KW - Supramolecular chemistry
UR - http://www.scopus.com/inward/record.url?scp=85041484243&partnerID=8YFLogxK
U2 - 10.1016/j.jmgm.2018.01.017
DO - 10.1016/j.jmgm.2018.01.017
M3 - Artículo
C2 - 29414045
SN - 1093-3263
VL - 80
SP - 264
EP - 271
JO - Journal of Molecular Graphics and Modelling
JF - Journal of Molecular Graphics and Modelling
ER -