OwnerNational Energy Technology Laboratory (NETL) - view all
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Overviewfluid flowmolecular modelingsimulationtracers
Molecular modeling of metal-salen tracer compounds interacting with oil-water mixtures and in mineral pores.
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citationJ. A. Greathouse, T. J. Boyle and R. A. Kemp. (2018) Computational Evaluation of Mg–Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene–Water Mixtures and Clay Mineral Nanopores. Energy Fuels, 32, 4969-4978.
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- HTMLhttps://pubs.acs.org/doi/10.1021/acs.energyfuels.8b00435