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J Mol Graph Model ; 80: 264-271, 2018 03.
Artigo em Inglês | MEDLINE | ID: mdl-29414045

RESUMO

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.


Assuntos
Biocombustíveis , Líquidos Iônicos/química , Compostos de Amônio Quaternário/química , Teoria da Densidade Funcional , Relação Estrutura-Atividade
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