Welcome to the Singer NMR Lab directed by Prof. Philip Singer at the Department of Chemical & Biomolecular Engineering at Rice University. The mission, objectives, and motivation for the lab are as follows:
Mission
Engage in fundamental research on hydrogen geostorage & carbon dioxide utilization/geostorage in unconventional organic-rich shale reservoirs by leveraging our unique:
– NMR core analysis facilities for measuring 1H relaxation & diffusion of hydrogen, methane, and carbon dioxide at reservoir pressures in unconventional shale cores
– Access to high performance computing facilities at Oak Ridge National Laboratory for simulations and computations
– Expertise in petrophysics, geology, geochemistry, computational chemistry and thermodynamics
Objectives
Investigate the physical, chemical, and transport processes for hydrogen geostorage & carbon dioxide utilization/geostorage in unconventional shale, from the molecular-scale (i.e., Å) to the core-scale (i.e., cm), using our unique capabilities:
NMR
Measurements
MD
Simulations
Thermodynamics
Theory
NMR (nuclear magnetic resonance) measurements of 1H relaxation at both 20 MHz & 2 MHz (plus diffusion at 2 MHz) on core samples saturated with hydrogen, methane, and carbon dioxide at pressures up to 5000 psi, at ambient temperature
Atomistic MD (molecular dynamics) simulations of NMR relaxation & diffusion and GCMC (Grand canonical Monte Carlo) simulations of realistic kerogen models, without any NMR relaxation models and without any free parameters
Thermodynamics with mDFT (molecular density function theory) and iSAFT (interfacial statistical associating fluid theory) for phase behavior and competitive sorption on kerogen
Motivation
As the transition towards renewable energy sources intensifies, hydrogen is emerging as a promising energy carrier. One crucial yet challenging component of a hydrogen economy is the long-term storage of hydrogen, whether it is green hydrogen (i.e., hydrogen produced renewable energy sources) or blue hydrogen (i.e., hydrogen produced from steam methane reforming and carbon dioxide geostorage). To this end, partially depleted unconventional gas shale reservoirs show great promise for their vast existing geostorage capacity, their access to pipelines & other infrastructure, and their proximity to renewable energy sources, all in one centralized location.
The cumulative US dry shale gas production is ≈ 250 TCF (eia.gov), which is primarily composed of methane (≈ 5 Gt). This gives an estimate of the vast existing capacity for hydrogen (≈ 600 Mt) geostorage or carbon dioxide (≈ 13 Gt) geostorage in partially depleted gas shale reservoirs.
Furthermore, natural gas dissolves in kerogen by creating gas-filled nanopores in the kerogen matrix, thereby causing the kerogen to swell. The dissolved gas in kerogen is typically neglected in reserve estimates of gas shales. Recovery of dissolved gas could increase ultimate recovery by ≈ 20% (Etminan et al. 2014), and is promising for utilization of carbon dioxide, and subsequent geostorage.
