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Computational Evaluation of Mg–Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene–Water Mixtures and Clay Mineral Nanopores

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Molecular modeling of metal-salen tracer compounds interacting with oil-water mixtures and in mineral pores.

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Last Updated October 9, 2018, 10:41 (LMT)
Created October 9, 2018, 10:41 (LMT)
Citation J. 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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