Publications by Year: 2017

S. Kelly, Torres-Verdín, C., and Balhoff, M., “Influence of polarity and hydration cycles on imbibition hysteresis in silica nanochannels,” Physical Chemistry Chemical Physics, vol. 20, pp. 456-466, 2017.
H. Jung, Singh, G., Nicolas Espinoza, D., Wheeler, M. F., and others,An Integrated Case Study of the Frio CO 2 Sequestration Pilot Test for Safe and Effective Carbon Storage Including Compositional Flow and Geomechanics,” in SPE Reservoir Simulation Conference, 2017.
V. Puzyrev, Torres-Verdín, C., and Calo, V., “Interpretation of deep directional resistivity measurements in high-angle and horizontal wells (Expanded Abstract),” Sixth International Symposium on Three-Dimensional Electromagnetics. Berkeley, CA, March 28-30, 2017.
E. D. Maalouf and Torres-Verdín, C., “Interpretation of sonic measurements acquired in high-angle and horizontal wells using 3D fast forward modeling (Expanded Abstract),” Society of Petrophysicists and Well Log Analysts (SPWLA) 58th Ann. Logging Symposium. Oklahoma City, OK, June 17-21, 2017.
W. Goth, Sacks, M. S., and Tunnell, J. W., “Interpreting fiber structure from polarization dependent optical anisotropy,” Proc. SPIE, vol. 10068. pp. 100680P-100680P-8, 2017. Publisher's VersionAbstract
Polarized light is commonly used to detect optical anisotropies, such as birefringence, in tissues. This optical anisotropy is often attributed to underlying structural anisotropy in tissue, which may originate from regularly aligned collagen fibers. In these cases, the optical anisotropy, such as birefringence, is interpreted as a relative measure of the structural anisotropy of the collagen fibers. However, the relative amplitude of optical anisotropy depends on factors other than fiber orientation, and few models allow quantitative interpretation of absolute measures of true fiber orientation distribution from the optical signal. Our model uses the Mie solution to scattering of linearly polarized light from infinite cylindrical scatterers. The model is expanded to include populations of scatterers with physiologically relevant size and orientation distributions. We investigated the influences of fiber diameter, orientation distribution, and wavelength on the back-scattering signal with our computational model, and used these results to extract structural information from experimental fiber phantoms and bovine tendon. Our results demonstrated that by fitting our model to the experimental data using limited assumptions, we could extract fiber orientation distributions and diameters that were comparable to those found in scanning electron microscope images of the same fiber sample. We found a higher alignment of fibers in the bovine tendon sample, and the extracted fiber diameter was within the expected physiological range. Our model showed that the amplitude of optical anisotropy can vary widely due to factors other than the orientation distribution of fiber structures, including index of refraction, and therefore should not be taken as a sole indicator of structural anisotropy. This work highlights that the accuracy of model assumptions plays a crucial role in extracting quantitative structural information from optical anisotropy.
E. Maalouf and Torres-Verdín, C., “Inversion-based method to mitigate noise in borehole sonic logs,” Geophysics, vol. 83, no. 2, pp. D61-D71, 2017.
R. Leung and Daigle, H., “Investigation of fracture generation due to capillary pressure effects in a three-phase hydrate stability zone,” 9th International Conference on Gas Hydrates. Denver, CO, 2017.PDF icon 05z_z_z_d_other_publication_b-18-investigation_of_fracture_generation_due_to_capillary_pressure_effects_in_a_three-phase_stability_zone.pdf
C. Wang, Ren, P., and Luo, R., “Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling,” The Journal of Physical Chemistry B, vol. 121, pp. 11169–11179, 2017.
J. Zhang, Jia, S., Kholmanov, I., Dong, L., Er, D., Chen, W., Guo, H., Jin, Z., Shenoy, V. B., Shi, L., and Lou, J., “Janus Monolayer Transition Metal Dichalcogenides,” ACS Nano, vol. 11, pp. 8192 , 2017. Publisher's Version
E. Ortega, Luycx, M., Torres-Verdín, C., and Preeg, W. E., “Joint petrophysical interpretation of multi-detector nuclear measurements in the presence of invasion, shoulder-bed, and well-deviation effects,” Geophysics, vol. 82, no. 1, pp. D13-D30, 2017.
E. Ortega, Luycx, M., Torres-Verdín, C., and Preeg, W. E., “Joint petrophysical interpretation of multi-detector nuclear measurements in the presence of invasion, shoulder-bed, and well-deviation effects.,” Geophysics, vol. 82, no. 1, pp. D13-D30, 2017.
J. Liu, Su, X., Han, M., Wu, D., Gray, D. L., Shapley, J. R., Werth, C. J., and Strathmann, T. J., “Ligand design for isomer-selective oxorhenium(V) complex synthesis,” Inorganic Chemistry, vol. 56, no. 3, pp. 1757-1769, 2017. Publisher's VersionAbstract
Recently, N,N-trans Re(O)(LN–O)2X (LN–O = monoanionic N–O chelates; X = Cl or Br prior to being replaced by solvents or alkoxides) complexes have been found to be superior to the corresponding N,N-cis isomers in the catalytic reduction of perchlorate via oxygen atom transfer. However, reported methods for Re(O)(LN–O)2X synthesis often yield only the N,N-cis complex or a mixture of trans and cis isomers. This study reports a geometry-inspired ligand design rationale that selectively yields N,N-trans Re(O)(LN–O)2Cl complexes. Analysis of the crystal structures revealed that the dihedral angles (DAs) between the two LN–O ligands of N,N-cis Re(O)(LN–O)2Cl complexes are less than 90°, whereas the DAs in most N,N-trans complexes are greater than 90°. Variably sized alkyl groups (−Me, −CH2Ph, and −CH2Cy) were then introduced to the 2-(2′-hydroxyphenyl)-2-oxazoline (Hhoz) ligand to increase steric hindrance in the N,N-cis structure, and it was found that substituents as small as −Me completely eliminate the formation of N,N-cisisomers. The generality of the relationship between N,N-trans/cis isomerism and DAs is further established from a literature survey of 56 crystal structures of Re(O)(LN–O)2X, Re(O)(LO–N–N–O)X, and Tc(O)(LN–O)2X congeners. Density functional theory calculations support the general strategy of introducing ligand steric hindrance to favor synthesis of N,N-trans Re(O)(LN–O)2X and Tc(O)(LN–O)2X complexes. This study demonstrates the promise of applying rational ligand design for isomeric control of metal complex structures, providing a path forward for innovations in a number of catalytic, environmental, and biomedical applications.
M. Nole, Daigle, H., Cook, A. E., Hillman, J. I. T., and Malinverno, A., “Linking basin‐scale and pore‐scale gas hydrate distribution patterns in diffusion‐dominated marine hydrate systems,” Geochemistry, Geophysics, Geosystems, vol. 18, no. 2, pp. 653-675, 2017. Publisher's VersionAbstract
The goal of this study is to computationally determine the potential distribution patterns of diffusion‐driven methane hydrate accumulations in coarse‐grained marine sediments. Diffusion of dissolved methane in marine gas hydrate systems has been proposed as a potential transport mechanism through which large concentrations of hydrate can preferentially accumulate in coarse‐grained sediments over geologic time. Using one‐dimensional compositional reservoir simulations, we examine hydrate distribution patterns at the scale of individual sand layers (1–20 m thick) that are deposited between microbially active fine‐grained material buried through the gas hydrate stability zone (GHSZ). We then extrapolate to two‐dimensional and basin‐scale three‐dimensional simulations, where we model dipping sands and multilayered systems. We find that properties of a sand layer including pore size distribution, layer thickness, dip, and proximity to other layers in multilayered systems all exert control on diffusive methane fluxes toward and within a sand, which in turn impact the distribution of hydrate throughout a sand unit. In all of these simulations, we incorporate data on physical properties and sand layer geometries from the Terrebonne Basin gas hydrate system in the Gulf of Mexico. We demonstrate that diffusion can generate high hydrate saturations (upward of 90%) at the edges of thin sands at shallow depths within the GHSZ, but that it is ineffective at producing high hydrate saturations throughout thick (greater than 10 m) sands buried deep within the GHSZ. Furthermore, we find that hydrate in fine‐grained material can preserve high hydrate saturations in nearby thin sands with burial.
J. M. Obliosca, Cheng, S. Y., Chen, Y. - A., Llanos, M. F., Liu, Y. - L., Imphean, D. M., Bell, D., Petty, J. T., Ren, P., and Yeh, H. - C., “LNA Thymidine Monomer Enables Differentiation of the Four Single-Nucleotide Variants by Melting Temperature,” Journal of the American Chemical Society, 2017.
J. M. Obliosca, Cheng, S. Y., Chen, Y. - A., Llanos, M. F., Liu, Y. - L., Imphean, D. M., Bell, D. R., Petty, J. T., Ren, P., and Yeh, H. - C., “LNA Thymidine Monomer Enables Differentiation of the Four Single-Nucleotide Variants by Melting Temperature,” Journal of the American Chemical Society, vol. 139, pp. 7110–7116, 2017.
K. Chen, Sheehan, N., He, F., Meng, X., Mason, S. C., Bank, S. R., and Wang, Y., “Measurement of Ambipolar Diffusion Coefficient of Photoexcited Carriers with Ultrafast Reflective Grating-Imaging Technique,” ACS Photonics, 2017. Publisher's VersionAbstract
A novel ultrafast reflective grating-imaging technique has been developed to measure ambipolar carrier diffusion in GaAs/AlAs quantum wells and bulk GaAs. By integrating a transmission grating and an imaging system into the traditional pump–probe setup, this technique can acquire carrier diffusion properties conveniently and accurately. The fitted results of the diffusion coefficient and diffusion length in bulk GaAs agree well with the literature values obtained by other techniques. The diffusion coefficient and diffusion length of GaAs/AlAs quantum wells are found to increase with the well layer thickness, which suggests that interface roughness scattering dominates carrier diffusion in GaAs/AlAs quantum wells. With the advantages of simple operation, sensitive detection, rapid and nondestructive measurement, and extensive applicability, the ultrafast reflective grating-imaging technique has great potential in experimental study of carrier diffusion in various materials.
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L. Wei, Cook, A. E., Malinverno, A., Daigle, H., Nole, M., Andris, R., You, K., and Frederick, J. M., “Methane migration and gas hydrate occurrence in a 2.5 m sand in the Terrebonne Basin, Gulf of Mexico,” 9th International Conference on Gas Hydrates. Denver, CO, 2017.PDF icon 05z_z_z_e_other_publication_b-19-methane_migration_and_gas_hydrate_occurrence_in_a_2.5_m_sand_in_the_terrebonne_basin.pdf
H. Daigle, Cook, A., Malinverno, A., Nole, M., Bihani, A., Andris, R., Wei, L., and Hillman, J., “Methane transport and accumulation in coarse-grained reservoirs in the Terrebonne Basin, northern Gulf of Mexico,” 9th International Conference on Gas Hydrates. Denver, CO, 2017.Abstract
We studied methane migration mechanisms and associated hydrate accumulation rates in coarse-grained sands of the Terrebonne Basin, located in Walker Ridge Block 313, northern Gulf of Mexico. Hydrate in this area is distributed heterogeneously within ~900 m of methane hydrate stability zone, in both thick (10-25 m) and thin (< 3 m) sand layers, and in units of subvertical hydrate-filled fractures. We investigated hydrate formation from diffusively and advectively supplied methane using one-, two-, and three-dimensional basin modeling. We found that different migration mechanisms result in characteristic hydrate accumulation signatures that can link field observations to methane sources.
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A. Malinverno, Cook, A., and Daigle, H., “Modeling discrete intervals of methane hydrate-filled veins in fine-grained continental margin sediments,” 9th International Conference on Gas Hydrates. Denver, CO, 2017.PDF icon 05z_z_z_b_other_publication_b-16-modeling_discrete_intervals_of_methane_hydrate-filled_veins_in_fine-grained_continental_margin_sediments.pdf
R. Victor, Prodanović, M., and Torres-Verdín, C., “Monte Carlo approach for estimating density and atomic number from dual-energy computed tomography images of carbonate rocks,” Journal of Geophysical Research – Solid Earth, vol. 122, pp. 9804-9824, 2017.