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McGrail, B Peter

Publications and source records attributed to McGrail, B Peter.

11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Geothermally Coupled Well-Based Compressed Air Energy Storage

Previous work by McGrail et al. (2013, 2015) has evaluated the possibility of pairing compressed air energy storage with geothermal resources in lieu of a fossil-fired power generation component, and suggests that such applications may be cost competitive where geology is favorable to siting both the geothermal and CAES components of such a system. Those studies also note that the collocation of subsurface resources that meet both sets of requirements are difficult to find in areas that also offer infrastructure and near- to mid-term market demand for energy storage. This study examines a novel application for the compressed air storage portion of the project by evaluating the potential to store compressed air in disused wells by amending well casings to serve as subsurface pressure vessels. Because the wells themselves would function in lieu of a geologic storage reservoir for the CAES element of the project, siting could focus on locations with suitable geothermal resources, as long as there was also existing wellfield infrastructure that could be repurposed for air storage. Existing wellfields abound in the United States, and with current low energy prices, many recently productive fields are now shut in. Should energy prices remain stagnant, these idle fields will be prime candidates for decommissioning unless they can be transitioned to other uses, such as redevelopment for energy storage. In addition to the nation’s ubiquitous oil and gas fields, geothermal fields, because of their phased production lifetimes, also may offer many abandoned wellbores that could be used for other purposes, often near currently productive geothermal resources. These existing fields offer an opportunity to decrease exploration and development uncertainty by leveraging data developed during prior field characterization, drilling, and production. They may also offer lower-cost deployment options for hybrid geothermal systems via redevelopment of existing well-field infrastructure. This project assessed the technical and economic feasibility of implementing geothermally coupled well-based CAES for grid-scale energy storage. Based on an evaluation of design specifications for a range of casing grades common in U.S. oil and gas fields, a 5-MW CAES project could be supported by twenty to twenty-five 5,000-foot, 7-inch wells using lower-grade casing, and as few as eight such wells for higher-end casing grades. Using this information, along with data on geothermal resources, well density, and potential future markets for energy storage systems, The Geysers geothermal field was selected to parameterize a case study to evaluate the potential match between the proven geothermal resource present at The Geysers and the field’s existing well infrastructure. Based on calculated wellbore compressed air mass, the study shows that a single average geothermal production well could provide enough geothermal energy to support a 15.4-MW (gross) power generation facility using 34 to 35 geothermal wells repurposed for compressed air storage, resulting in a simplified levelized cost of electricity (sLCOE) estimated at 11.2 ¢/kWh (Table S.1). Accounting for the power loss to the geothermal power project associated with diverting geothermal resources for air heating results in a net 2-MW decrease in generation capacity, increasing the CAES project’s sLCOE by 1.8 ¢/kWh.

15 GEOTHERMAL ENERGY↗
DOE OSTI2012

Understanding nanofluid stability through molecular simulation

We performed molecular dynamics simulations to study solvation of a nanoparticle and nanoparticle-nanoparticle interactions in an n-hexane solution. Structural signatures are barely observed between the nanoparticle and n-hexane molecules because of weak binding and steric effects. The dynamic properties of the n-hexane molecule, on the other hand, are significantly influenced by the solvated nanoparticle. The diffusion of n-hexane molecules inside the nanoparticle is significantly decreased mainly because of the loss of dimensions of translation. Because one translational degree of freedom is lost by colliding with the wall of nanoparticle, the n-hexane molecules outside the nanoparticle diffuse 30% slower than the molecules in pure solution. The computed free energy profiles illustrate that the arrangement of the nanoparticles in bulk n-hexane solution are dependent on the orientation and functional group. We found that the n-hexane solvent exerts some effects on the interactions between the solvated nanoparticles. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences and by the Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Program. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

Dang, Liem X↗
DOE OSTI2012

Insights into the Temperature-Dependent “Breathing” of a Flexible Fluorinated Metal-Organic Framework

The framework expansion and contraction upon carbon dioxide uptake was studied in a partially fluorinated metal-organic framework, FMOF-2. The results show framework expansion and contraction (breathing) as a function of pressure and temperature. Even at temperatures as low as -30 ºC, two phase transitions seem to take place with a pressure step (corresponding to the second transition) that is greatly dependent on temperature. This behavior is described by the model proposed by Coudert and co-workers showing that the material seems to undergo two phase transitions that are temperature dependent. The isosteric heats of adsorption at high pressures show a minimum that is concurrent with the region of CO2 loadings where the second pressure step occurs. It was deduced that these lower enthalpy values are a consequence of the energy cost related to the expansion or reopening of the framework. Lastly, the large and reversible breathing behavior may be a product of the combination of the high elasticity of zinc (II) coordination and the apparent high flexibility of the V-shaped organic building block.

carbon dioxide↗
DOE OSTI2012

Molecular interactions of SO2 with carbonate minerals under co-sequestration conditions: a combined experimental and theoretical study

We present a combined experimental and theoretical study investigating the reactivity between selected and morphologically important surfaces of carbonate minerals with supercritical CO2 with co-existing H2O and SO2. Trace amounts of SO2 cause formation of CaSO3 in the form of hannebachite in the initial stages of SO2 adsorption and transformation. Atomistic simulations of these initial steps indicate a somewhat catalytic activity of water, which is enhanced by the presence of Magnesium atoms in the mineral surface. Under co-sequestration conditions, traces of water are not likely to cause carbonate dissolution, however the presence of SO2 greatly stabilizes the sulfite product.

58 GEOSCIENCES↗
DOE OSTI2012

Ultraviolet (UV) Raman Spectroscopy Study of the Soret Effect in High-Pressure CO2-Water Solutions

Spatially resolved deep-UV Raman spectroscopy was applied to solutions of CO2 and H2O or D2O subject to a temperature gradient in a thermally regulated high-pressure concentric-tube Raman cell in an attempt to measure a Soret effect in the vicinity of the critical point of CO2. Although Raman spectra of solutions of CO2 dissolved in D2O, at 10 MPa and temperatures near the critical point of CO2, had adequate signal-to-noise and spatial resolution to observe a Soret effect with a Soret coefficient with magnitude |ST| > 0.03, no evidence for an effect of this size was obtained for applied temperature gradients up to 19 C. In contrast, the concentration of CO2 dissolved in H2O was shown to vary significantly across the temperature gradient when excess CO2 was present, but the results could be explained simply by the variation in CO2 solubility over the temperature range and not to kinetic factors. For mixtures of D2O dissolved in scCO2 at 10 MPa and temperatures close to the critical point of CO2, the Raman peaks for D2O were too weak to measure with confidence even at the limit of D2O solubility.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2012

Following 18O uptake in scCO2–H2O mixtures with Raman spectroscopy

The kinetics of 18O/16O isotopic exchange in scCO2 containing liquid water was followed with Raman spectroscopy using a specially designed high-pressure optical cell. Characteristic bands from the C16O18O and C18O2 molecules were identified in the supercritical phase and measured in the spectra as a function of time after introducing liquid H218O into scC16O2. Temporal dependence indicated the isotopic exchange was diffusion-limited in our cell for both molecules, and that the chemical reactions within the liquid phase were comparatively rapid. However, the ratio of concentrations of the 18O-labeled CO2 molecules, C18O2/C16O18O, was much higher than expected in the supercritical phase, suggesting the role of an intermediate step, possibly desorption, in moderating the concentrations of these species in the liquid water phase.

18O labeling↗
DOE OSTI2012

Raman Spectrum of Supercritical C18O2 and Re-Evaluation of the Fermi Resonance

Because of its importance to so many processes, CO{sub 2} is one of the most studied molecules in science. However, we report here the discovery of a new phenomenon in the vibrational modes of supercritical CO{sub 2} upon isotopic labeling of both of its oxygens. The Raman spectrum of scC{sup 18}O{sub 2} shows a transposition of the components of the Fermi dyad from their normal positions. Analysis from ab initio molecular dynamics studies shows a previously unknown quantum mechanical influence of the {sup 18}O on the extent of mixing of the two vibrational modes that give rise to the Fermi dyad. This discovery confirms the assignments of the modes comprising the Fermi dyad of scCO{sub 2} and provides the groundwork for further advances in vibrational spectroscopic studies on this important molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Brucite [Mg(OH2)] Carbonation in Wet Supercritical CO2: An in situ High Pressure X-Ray Diffraction Study

Understanding mechanisms and kinetics of mineral carbonation reactions relevant to sequestering carbon dioxide as a supercritical fluid (scCO2) in geologic formations is crucial to accurately predicting long-term storage risks. Most attention so far has been focused on reactions occurring between silicate minerals and rocks in the aqueous dominated CO2-bearing fluid. However, water-bearing scCO2 also comprises a reactive fluid, and in this situation mineral carbonation mechanisms are poorly understood. Using in situ high-pressure x-ray diffraction, the carbonation of brucite [Mg(OH)2] in wet scCO2 was examined at pressure (82 bar) as a function of water concentration and temperature (50 C and 75 C). Exposing brucite to anhydrous scCO2 at either temperature resulted in little or no detectable reaction over three days. However, addition of trace amounts of water resulted in partial carbonation of brucite into nesquehonite [MgCO3 3H2O] within a few hours at 50 C. By increasing water content to well above the saturation level of the scCO2, complete conversion of brucite into nesquehonite was observed. Tests conducted at 75 C resulted in the conversion of brucite into magnesite [MgCO3] instead, apparently through an intermediate nesquehonite step. Raman spectroscopy applied to brucite reacted with 18O-labeled water in scCO2 show it was incorporated into carbonate at relatively high concentration. This supports a carbonation mechanism with at least one step involving a direct reaction between the mineral and water molecules without mediation by a condensed aqueous layer.

58 GEOSCIENCES↗
DOE OSTI2011

Effective Permeability Change in Wellbore Cement with Carbon Dioxide Reaction

Portland cement, a common sealing material for wellbores for geological carbon sequestration was reacted with CO{sub 2} in supercritical, gaseous, and aqueous phases at various pressure and temperature conditions to simulate cement-CO{sub 2} reaction along the wellbore from carbon injection depth to the near-surface. Hydrated Portland cement columns (14 mm diameter x 90 mm length; water-to-cement ratio = 0.33) including additives such as steel coupons and Wallula basalt fragments were reacted with CO{sub 2} in the wet supercritical (the top half) and dissolved (the bottom half) phases under carbon sequestration condition with high pressure (10 MPa) and temperature (50 C) for 5 months, while small-sized hydrated Portland cement columns (7 mm diameter x 20 mm length; water-to-cement ratio = 0.38) were reacted with CO{sub 2} in dissolved phase at high pressure (10 MPa) and temperature (50 C) for 1 month or with wet CO{sub 2} in gaseous phase at low pressure (0.2 MPa) and temperature (20 C) for 3 months. XMT images reveal that the cement reacted with CO{sub 2} saturated groundwater had degradation depth of {approx}1 mm for 1 month and {approx}3.5 mm for 5 month, whereas the degradation was minor with cement exposure to supercritical CO{sub 2}. SEM-EDS analysis showed that the carbonated cement was comprised of three distinct zones; the innermost less degraded zone with Ca atom % > C atom %, the inner degraded zone with Ca atom % {approx} C atom % due to precipitation of calcite, the outer degraded zone with C atom % > Ca atom % due to dissolution of calcite and C-S-H, as well as adsorption of carbon to cement matrix. The outer degraded zone of carbonated cement was porous and fractured because of dissolution-dominated reaction by carbonic acid exposure, which resulted in the increase in BJH pore volume and BET surface area. In contrast, cement-wet CO{sub 2}(g) reaction at low P (0.2 MPa)-T (20 C) conditions for 1 to 3 months was dominated by precipitation of micron-sized calcite on the outside surface of cement, which resulted in the decrease in BJH pore volume and BET surface area. Cement carbonation and pore structure change are significantly dependent on pressure and temperature conditions as well as the phase of CO{sub 2}, which controls the balance between precipitation and dissolution in cement matrix. Geochemical modeling result suggests that ratio of solid (cement)-to-solution (carbonated water) has a significant effect on cement carbonation, thus the cement-CO{sub 2} reaction experiment needs to be conducted under realistic conditions representing the in-situ wellbore environment of carbon sequestration field site. Total porosity and air permeability for a duplicate cement column with water-to-cement ratio of 0.38 measured after oven-drying by Core Laboratories using Boyle's Law technique and steady-state method were 31% and 0.576 mD. A novel method to measure the effective liquid permeability of a cement column using X-ray micro-tomography images after injection of pressurized KI (potassium iodide) is under development by PNNL. Preliminary results indicate the permeability of a cement column with water-to-cement ratio of 0.38 is 4-8 mD. PNNL will apply the method to understand the effective permeability change of Portland cement by CO{sub 2}(g) reaction under a variety of pressure and temperature conditions to develop a more reliable well-bore leakage risk model.

36 MATERIALS SCIENCE↗
DOE OSTI2011

GLAMOR – OR HOW WE ACHIEVED A COMMON UNDERSTANDING ON THE DECREASE OF GLASS DISSOLUTION KINETICS THROUGH INTERNATIONAL COOPERATION

The objective of the EC funded GLAMOR project was to achieve a common understanding of the processes that control the decrease of the dissolution rate of high-level waste glass in water when silica becomes saturated. Is affinity control or a protective layer dominating? The following steps were taken: (1) review of the literature, (2) selection ofselect an experimental dataset, and selection of the models r(t) and GM2003, and (3) application apply by the GLAMOR partners of the models to the datasets. The main focus has beenwas on dissolution tests in pure water at different values of surface-to-volume and pH. Some of the main conclusions were: (1) both affinity and protective layer concepts must be considered in the interpretation of the rate decreasing stage, (2) the residual dissolution rate observed beyond the silica saturation stage is far more important in view of the long-term performance of the glass, and deserves more attention in future R&D. In the GLAMOR final report, we also discussed in detail the modeling parameters, such as the silica saturation concentration, the silica diffusion coefficient, the silica retention factor in the reaction layer, and the water diffusion coefficient.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗