Browsing by Subject "Molecular Simulation"
Now showing items 1-5 of 5
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(2015-05-01)This thesis is an analysis of the effect of shale nanopore confinement on fluid phase behavior using Monte Carlo molecular modeling. Research conducted so far in this area in the oil and gas industry mainly encompasses ...
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(2017-05-10)Recent advances in drilling and well stimulation technologies have led to rapid development of shale formations as an important natural gas resource. However a comprehensive understanding of the source rock geochemistry ...
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(2009-05-15)The behavior of dense colloidal fluids near surfaces can now be probed in great detail with experimental techniques like video and confocal microscopy. In fact we are approaching a point where quantitative comparisons of ...
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Thermodynamic and mechanical properties of EPON 862 with curing agent DETDA by molecular simulation (2009-05-15)Fully atomistic molecular dynamics (MD) simulations were used to predict the properties of EPON 862 cross-linked with curing agent DETDA, a potentially useful epoxy resin for future applications of nanocomposites. The ...
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(2012-10-26)For two decades, single-wall carbon nanotubes (SWCNTs) have captured the attention of the research community, and become one of the flagships of nanotechnology. Due to their remarkable electronic and optical properties, ...