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AuthorOnawole A.
AuthorHussein I.
AuthorSaad M.
AuthorAhmed M.
AuthorAparicio S.
Available date2022-04-25T10:59:48Z
Publication Date2019
Publication Name3rd EAGE WIPIC Workshop: Reservoir Management in Carbonates
ResourceScopus
URIhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85087467785&partnerID=40&md5=94d2a35355335b46c4c8c102bfd0deed
URIhttp://hdl.handle.net/10576/30423
AbstractScale formation including those formed by iron sulfides have been a major hassle in the upstream sector of the oil and gas industry for many decades. Iron Sulfide scales including pyrite (FeS2) and troilite (FeS) often form a precipitate in the matrix formation, tubulars and other downhole equipment in the wells resulting in plant shutdown. Herein, a molecular modelling tool known as Density Functional Theory (DFT) is used to study the binding affinity of chelating agents to ferrous ion, which is the state of iron in pyrite scale. The calculated binding affinity of the chelating agents to Fe2+ increased in the order; GLDA < HEDTA < EDTA < DTPA which correlated with what has been reported experimentally. The number of nitrogen atoms in a chelating agent plays a predominant role in its binding ability. This could give insights on how novel chemicals could be designed which would be more effective and environmentally friendly in iron sulfide scale removal.
SponsorNPRP Grant # 9-084-2-041 from the Qatar National Research Fund (a member of Qatar Foundation) funded this work. The Research Computing group at Texas A&M University at Qatar (funded by Qatar Foundation) provided the HPC facilities used in this work. The findings achieved herein are solely the responsibility of the authors. Qatar University and the Gas Processing Center are also acknowledged for their support.
Languageen
PublisherEuropean Association of Geoscientists and Engineers, EAGE
SubjectBinding energy
Carbonates
Chelation
Density functional theory
Gas industry
Petroleum industry
Plant shutdowns
Pyrites
Reservoir management
Sulfide minerals
Well equipment
Binding abilities
Binding affinities
Chelating agent
Downhole equipment
Iron sulfide scale
Matrix formation
Oil and Gas Industry
Oil and gas well
Sulfur compounds
TitleApplication of DFT in iron sulfide scale removal from oil and gas wells
TypeConference Paper
dc.accessType Abstract Only


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