Outputs (4)

Molecular dynamics of quantitative evaluation of confined fluid behavior in nanopores media and the influencing mechanism: Pore size and pore geometry (2024)
Journal Article
Zhao, R., Xue, H., Lu, S., Greenwell, H. C., Xu, Y., He, T., & Erastova, V. (2024). Molecular dynamics of quantitative evaluation of confined fluid behavior in nanopores media and the influencing mechanism: Pore size and pore geometry. Physics of Fluids, 36(9), Article 092027. https://doi.org/10.1063/5.0226864

Understanding the potential mechanisms of reservoir fluid storage, transport, and oil recovery in shale matrices requires an accurate and quantitative evaluation of the fluid behavior and phase state characteristics of the confined fluid in nanopores... Read More about Molecular dynamics of quantitative evaluation of confined fluid behavior in nanopores media and the influencing mechanism: Pore size and pore geometry.

Ion Adsorption at Clay Mineral Surfaces: The Hofmeister Series for Hydrated Smectite Minerals (2016)
Journal Article
Underwood, T., Erastova, V., & Greenwell, H. (2016). Ion Adsorption at Clay Mineral Surfaces: The Hofmeister Series for Hydrated Smectite Minerals. Clays and Clay Minerals, 64(4), 472-487. https://doi.org/10.1346/ccmn.2016.0640310

Many important properties of clay minerals are defined by the species of charge-balancing cation. Phenomena such as clay swelling and cation exchange depend on the cation species present, and understanding how the cations bind with the mineral surfac... Read More about Ion Adsorption at Clay Mineral Surfaces: The Hofmeister Series for Hydrated Smectite Minerals.

Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces (2016)
Journal Article
Underwood, T., Erastova, V., & Greenwell, H. (2016). Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces. Journal of Physical Chemistry C, 120(21), 11433-11449. https://doi.org/10.1021/acs.jpcc.6b00187

In this study, classical molecular dynamics simulations have been used to understand the key interactions and surface structure of a set of organic molecules at the hydrated surfaces of the 1:1 clay mineral kaolinite. Decane, decanoic acid, and decan... Read More about Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces.

Molecular Dynamic Simulations of Montmorillonite-Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery (2015)
Journal Article
Underwood, T., Erastova, V., Cubillas, P., & Greenwell, H. (2015). Molecular Dynamic Simulations of Montmorillonite-Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery. Journal of Physical Chemistry C, 119(13), 7282-7294. https://doi.org/10.1021/acs.jpcc.5b00555

Enhanced oil recovery is becoming commonplace in order to maximize recovery from oil fields. One of these methods, low-salinity enhanced oil recovery (EOR), has shown promise; however, the fundamental underlying chemistry requires elucidating. Here,... Read More about Molecular Dynamic Simulations of Montmorillonite-Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery.