Browsing by Subject "Molecular dynamics simulation"
Now showing items 1-3 of 3
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A MICROSCOPIC CHARACTERIZATION OF WETTABILITY IN SHALE KEROGEN WITH VARYING MATURITY LEVELS AND ITS ROLE IN GOVERNING FLUID DISTRIBUTION
(2014-12)Kerogen is defined as the insoluble macromolecular organic matter in sedimentary rocks and is a complex mixture of organic chemical compounds. The process of kerogen maturation is accompanied by the loss of functionalized ... -
A MOLECULAR DYNAMICS STUDY OF SPATIAL FLUID DISTRIBUTION IN MIXED-WET SHALE NANOPORES
(2020-12)Mixed wet pores are abundant in shales, yet there is little to no information on the behavior of fluids confined within pores characterized by one hydrophilic and one hydrophobic surface. This mixed wettability can impact ... -
Multiscale Modeling of Hybrid Structural Composites Enhanced by Aligned Zinc Oxide Nanowires
(2022-05)Interfacial properties between fibers and matrix can significantly impact the overall performance of the composite structures. One pioneering approach to enhancing the interfacial properties is growing nanostructures on ...