Publications

NMR Measurements (5 selected)

• Liu, Y., Wang, X., Hirasaki, G.J., Vinegar, E.G., Vinegar, H.J., Singer, P.M., Characterization of kerogen and bitumen in Type II-S organic-rich chalk as a function of maturity using 2D NMR relaxation, Fuel, 2024
• Liu, Y., Wang, X., Hirasaki, G.J., Vinegar, E.G., Vinegar, H.J., Singer, P.M., Separation of solid and liquid components in organic-rich chalks using NMR relaxation, Fuel, 2023
• Vinegar, E.G., Wang, X., Liu, Y., Singer, P.M., Hirasaki, G.J., Vinegar, H.J., Estimation of permeability anisotropy and depositional cycles in organic-rich chalk by NMR restricted diffusion, Society of Petrophysicists and Well Log Analysts, 2023
• Wang, X., Singer, P.M., Liu, Y., Chen, Z., Hirasaki, G.J., Vinegar, H.J., Pore-size, tortuosity, and permeability from NMR restricted diffusion in organic-rich chalks, Petrophysics, 2021
• Chen, Z., Singer, P.M., Wang, X., Vinegar, H.J, Nguyen, S.V., Hirasaki, G.J., NMR evaluation of light-hydrocarbon composition, pore size, and tortuosity in organic-rich chalks, Petrophysics, 2019

MD Simulations (5 selected)

• Valiya Parambathu, A., Pinheiro dos Santos, T.J., Chapman, W.G., Hirasaki, G.J., Asthagiri, D., Singer, P.M., Molecular modes elucidate the NMR relaxation of viscous fluids, Journal of Physical Chemistry B, 2024
• Pinheiro dos Santos, T.J., Orcan-Ekmecki, B., Chapman, W.G., Singer, P.M., Asthagiri, D.N., Theory and modeling of molecular modes in the NMR relaxation of fluids, Journal of Chemical Physics, 2024
• Valiya Parambathu, A., Chapman, W.G., Hirasaki, G.J., Asthagiri, D., Singer, P.M., Effect of nanoconfinement on NMR relaxation of heptane in kerogen from molecular simulations and measurements, Journal of Physical Chemistry Letters, 2023
• Singer, P.M., Asthagiri, D., Chapman, W.G., Hirasaki, G.J., NMR spin-rotation relaxation and diffusion of methane, Journal of Chemical Physics, 2018
• Singer, P.M., Asthagiri, D., Chapman, W.G., Hirasaki, G.J., Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water, Journal of Magnetic Resonance, 2017

Thermodynamics (5 selected)

• Xi, S., Liu, J., Valiya Parambathu, A., Zhang, Y., Chapman, W.G., An efficient algorithm for molecular density functional theory in cylindrical geometry: Application to interfacial statistical associating fluid theory (iSAFT), Industrial & Engineering Chemistry Research, 2020
• Liu, J., Heier, M., Chapman, W.G., Langenbach, K., Adsorption in purely dispersive systems from molecular simulation, density gradient theory, and density functional theory, Journal of Chemical & Engineering Data, 2020
• Liu, J., Chapman, W.G., Thermodynamic modeling of the equilibrium partitioning of hydrocarbons in nanoporous kerogen particles, Energy & Fuels, 2019
• Liu, J., Xi, S., Chapman, W.G., Competitive sorption of CO2 with gas mixtures in nanoporous shale for enhanced gas recovery from density functional theory, Langmuir, 2019
• Liu, J., Wang, L., Xi, S., Asthagiri, D., Chapman, W.G., Adsorption and phase behavior of pure/mixed alkanes in nanoslit graphite pores: an iSAFT application, Langmuir, 2017

US Patents

• Singer, P.M., Liu, Y., Wang, X., Hirasaki, G.J., Vinegar, H.J., (Rice University & Vinegar Technologies LLC), Method of determining solid and liquid components in sedimentary rocks using NMR relaxation, US Patent 12,228,531, 2025
• Vinegar, H.J., Singer, P.M., Hirasaki, G.J., Chen, Z., Wang, X., Vinegar, E.G., (Rice University & Vinegar Technologies LLC), New method of estimating permeability using NMR diffusion measurements, US Patent 11,933,932, 2024.
• Vinegar, E.G., Singer, P.M., Hirasaki, G.J., Chen, Z., Wang, X., Vinegar, H.J., (Rice University & Vinegar Technologies LLC), Determination of fluid-phase-specific petrophysical properties of geological core for oil, water and gas phases, US Patent 11,921,069, 2024
• Vinegar, H.J., Singer, P.M., Hirasaki, G.J., Chen, Z., Wang, X., (Rice University & Vinegar Technologies LLC), Method for determining the composition of natural gas liquids, mean pore-size and tortuosity in a subsurface formation using NMR, US Patent 11,099,292, 2021

US Patent Applications (active)

• Vinegar, E.G., Wang, X., Liu, Y., Singer, P.M., Hirasaki, G.J., Vinegar, H.J., (Rice University & Vinegar Technologies LLC), Estimation of permeability anisotropy in organic-rich chalk by NMR restricted diffusion, US Patent Application 18/823,441, 2024
• Vinegar, E.G., Wang, X., Liu, Y., Singer, P.M., Hirasaki, G.J., Vinegar, H.J., (Rice University & Vinegar Technologies LLC), Estimation of paleo-depositional cycles in organic-rich chalk by NMR restricted diffusion, US Patent Application 18/823,470, 2024
• Vinegar, E.G., Wang, X., Liu, Y., Singer, P.M., Hirasaki, G.J., Vinegar, H.J., (Rice University & Vinegar Technologies LLC), Apparatus for obtaining NMR measurements of restricted diffusion in two orthogonal directions, US Patent Application 18/823,477, 2024
• Singer, P.M., Liu, Y., Wang, X., Hirasaki, G.J., Vinegar, H.J., (Rice University & Vinegar Technologies LLC), Method for quantifying SARA components and viscosity of crude oils in sedimentary rocks using NMR relaxation, US Provisional Patent Application 63/641,968, 2024