Engineering topics

Walton, Ian

Publications and source records attributed to Walton, Ian.

3 records

DOE OSTI2020

Enhanced Sulfur Dioxide Adsorption in UiO-66 Through Crystal Engineering and Chalcogen Bonding

Adsorption of corrosive SO 2 gas occurs in metal–organic frameworks (MOFs) including UiO-66. Improvements in SO 2 capacity is obtained through the incorporation of residual modulators in the UiO-66 framework by introducing new binding sites in the material, through residual modulators. Four residual modulators were investigated (acetic acid, trifluoroacetic acid, 3-DMAP acid, cyanoacetic acid), and the UiO-66 framework modulated with cyanoacetic acid exhibited nearly twice the SO 2 uptake for the 18:1 modulator/linker synthesis ratio compared with other modulated UiO-66 structures. Density functional theory investigations confirmed that targeted host–guest interactions were maintained after the modulator was incorporated into the framework. The strongest binding energy was between SO 2 and cyanoacetic acid, consistent with dynamic SO 2 adsorption data, and identified contributions from both the SO 2 reacting with the residual modulator and the coordinating linkers. The successful increase in dynamic SO 2 capacity illustrates how often-overlooked non-covalent interactions can be used in targeted adsorption applications. Further investigation into weak electrostatic interactions for adsorption properties is also needed to advance the potential selectivity and capacity in the adsorption sphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Pore system characterization of organic-rich shales using nanoscale-resolution 3D imaging

The Vaca Muerta Shale in Argentina is the first signifcant commercial shale oil/gas play outside of North America. High-resolution 2D/3D imaging of shale rocks for the purpose of establishing their mineralogy, total, and connected porosities has become more and more sophisticated. In this paper, nanoscale-resolution focused ion beam (FIB)-scanning electron microscopy (SEM) nano-tomography was used to obtain images of pore structures within two organic-rich regions of interest (ROIs), selected based on correlative SEM and automated mineralogy maps. Advanced machine learning classification tools were used to segment the images and assign porosities and other components. Pore size distribution and pore connectivity analyzes revealed that about 95% of all the pores, present within the two ROIs, had a diameter of less than approximately 75 nm, and that most of these pores were poorly connected. In a similar fashion, the flow rate distribution analysis showed that pores with diameters of about 150-330 nm contributed to over 50% of the flow capacity of the connected pore systems. These results suggest that although most of the pores typically found in shales have pore diameter smaller than about 100 nm, most of the hydrocarbon production may be carried by a relatively small number of larger connected pores with pore diameter greater than about 150 nm. This research implies that a large portion of the organic-hosted pores (with diameter typically smaller than about 100 nm) may not provide permeable flow pathways for the oil and/or gas migration, and hence may have very little contribution to the hydrocarbon production.

58 GEOSCIENCES↗

DOE OSTI2015

Proppant backflow: Mechanical and flow considerations

One of the concerns of using proppant in geothermal wells, and particularly in enhanced geothermal systems, is proppant flowback. Particulate proppant maintain post-closure conductivity in hydraulically opened fractures. If that proppant is displaced from the near-wellbore region, either due to overflushing during stimulation or flowback to the wellbore at any time, the reduced fracture width chokes the injection or production. Two intermediate-scale laboratory analogs of a propped hydraulic fracture were prepared, and fluid was flowed through a normally stressed, propped fracture into a central wellbore. The tests were conducted in a polyaxial load frame. Acoustic/microseismic activity was measured during the injection programs. In one scenario—radial flow through a transverse fracture to a wellbore—the results suggest the creation of flow channels and nominally intact propped zones around the channels, maintaining fracture aperture. In the other—linear flow through a longitudinal fracture into a wellbore—there was substantially more proppant removal. The measurements have shown a greater tendency for proppant flowback in a linear flow situation (proppant movement is kinematically more restricted for radial convergent flow). The pressure gradients causing flow are exceedingly small and restraining flowback will be difficult. Convergent flow relationships could be an issue for injector wells, which will experience fluid flowback during hard shutdowns.

15 GEOTHERMAL ENERGY↗