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The pressure-driven flow of long-chain hydrocarbons in nanosized pores is important in energy, environmental, biological, and pharmaceutical applications. This paper examines the flow of hexane, heptane, and decane in carbon nanotubes (CNTs) of pore diameters 1–8 nm using molecular dynamic simulations. Enhancement of water flow in CNTs in comparison to rates predicted by continuum models has been well established in the literature. Our work was intended to observe if molecular dynamic simulations of hydrocarbon flow in CNTs produced similar enhancements. We used the OPLS-AA force field to simulate the hydrocarbons and the CNTs. Our simulations predicted the bulk densities of the hydrocarbons to be within 3% of the literature values. Molecular sizes and shapes of the hydrocarbon molecules compared to the pore size create interesting density patterns for smaller sized CNTs. We observed moderate flow enhancements for all the hydrocarbons (1–100) flowing through small-sized CNTs. For very small CNTs the larger hydrocarbons were forced to flow in a cork-screw fashion. As a result of this flow orientation, the larger molecules flowed as effectively (similar enhancements) as the smaller hydrocarbons. [ABSTRACT FROM AUTHOR]

Advances in imaging have made it possible to view nanometer and sub-nanometer structures that are either synthesized or that occur naturally. It is believed that fluid dynamic and thermodynamic behavior differ significantly at these scales from the bulk. From a materials perspective, it is important to be able to create complex structures at the nanometer scale, reproducibly, so that the fluid behavior may be studied. New advances in nanoscale-resolution 3D-printing offer opportunities to achieve this goal. In particular, additive manufacturing with two-photon polymerization allows creation of intricate structures. Using this technology, a creation of the first nano-3D-printed digital (shale) rock is reported. In this paper, focused ion beam-scanning electron microscopy (FIB-SEM) nano-tomography image dataset was used to reconstruct a high-resolution digital rock 3D model of a Marcellus Shale rock sample. Porosity of this 3D model has been characterized and its connected/effective pore system has been extracted and nano-3D-printed. The workflow of creating this novel nano-3D-printed digital rock 3D model is described in this paper. [ABSTRACT FROM AUTHOR]

Nanoconfined water plays a pivotal role in a vast number of fields ranging from biological and materials sciences to catalysis, nanofluidics and geochemistry. Here, we report the freezing and melting behavior of water (D2O) nanoconfined in architected silica-based matrices including Vycor glass and mesoporous silica SBA-15 and SBA-16 with pore diameters ranging between 4–15 nm, which are investigated using differential scanning calorimetry and 2H nuclear magnetic resonance spectroscopy. The results provide compelling evidence that the extreme dynamical heterogeneity of water molecules is preserved over distances as small as a few angstroms. Solidification progresses in a layer-by-layer fashion with a coexistence of liquid-like and solid-like dynamical fraction at all temperatures during the transition process. The previously reported fragile-to-strong dynamic transition in nanoconfined water is argued to be a direct consequence of the layer-by-layer solidification. [ABSTRACT FROM AUTHOR]

Porosity and permeability are the key factors in assessing the hydrocarbon productivity of unconventional (shale) reservoirs, which are complex in nature due to their heterogeneous mineralogy and poorly connected nano- and micro-pore systems. Experimental efforts to measure these petrophysical properties posse many limitations, because they often take weeks to complete and are difficult to reproduce. Alternatively, numerical simulations can be conducted in digital rock 3D models reconstructed from image datasets acquired via e.g., nanoscale-resolution focused ion beam–scanning electron microscopy (FIB-SEM) nano-tomography. In this study, impact of reservoir confinement (stress) on porosity and permeability of shales was investigated using two digital rock 3D models, which represented nanoporous organic/mineral microstructure of the Marcellus Shale. Five stress scenarios were simulated for different depths (2,000–6,000 feet) within the production interval of a typical oil/gas reservoir within the Marcellus Shale play. Porosity and permeability of the pre- and post-compression digital rock 3D models were calculated and compared. A minimal effect of stress on porosity and permeability was observed in both 3D models. These results have direct implications in determining the oil-/gas-in-place and assessing the production potential of a shale reservoir under various stress conditions. [ABSTRACT FROM AUTHOR]

Spark plasma sintering (SPS) was used to compact chemically synthesized mesoporous silica powders with ordered hexagonal nanopore channels (~5 nm). Solid compact disks (~19 mm diameter) densified at processing temperatures from 600 to 1000 °C were characterized at multiple length scales using scanning electron microscopy, transmission electron microscopy, Vickers hardness tests, and Brunauer-Emmett-Teller gas adsorption measurements. Microscopy revealed both micro- and nanoporosity in the compacted disks and the hexagonal mesopore channels in the starting powders were retained during SPS at temperatures up to 850 °C under a uniaxial pressure of 10.6 MPa. The degree of macroporosity in SPS samples was correlated to the mechanical properties, surface area, and pore morphology. The macroporosity is retained up to 950 °C under the same pressure, and the degree of macroporosity increases when the mesopores collapse due to individual particle shrinkage. The results of multi-scale characterization of the mesoporous silica compacts were used to shed light on the role of nanostructure and microstructure on the mechanical and physical properties of SPS processed compacted disks. [ABSTRACT FROM AUTHOR]

An introduction is presented in which the editor discusses articles within the journal on topics including conference on rock mechanics, shale plasticity, and hydraulic fracturing.