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Energy and Environment Directorate

Pete McGrail

Pete McGrail

Pacific Northwest National Laboratory
PO Box 999
Richland, WA 99352
(509) 371-7077

Research Interests

  • Carbon Management and Climate Change:
  • geologic sequestration
  • in situ mineralization
  • supercritical CO2-brine chemistry
  • pulsed field gradient NMR
  • Gas Hydrates:
  • dissociation kinetics and modeling
  • physical properties of hydrate-bearing porous media
  • characterization of natural hydrate core samples
  • advanced hydrate production methods
  • high-pressure scanning laser ramman spectroscopy
  • resonant ultrasound spectroscopy
  • Geochemical Modeling:
  • radionuclide geochemistry
  • Tc oxidation and transport
  • adsorption phenomena
  • EQ3NR/EQ6, PHREEQE
  • Numerical Modeling of Fluid, Heat and Mass Transfer Processes:
  • coupled flow, transport, and chemical reaction processes
  • performance assessment of waste disposal systems
  • inverse chemical transport modeling (INVERTS)
  • Nuclear Waste Forms:
  • waste glasses, ceramics, polycrystalline materials
  • dissolution kinetics (theoretical and experimental)
  • diffusion
  • ion-exchange
  • secondary phase paragenesis
  • HLW Tank Closure
  • tank fillers
  • source-term modeling from tank residuals
  • Inventions: Remote Magnetic Stirrer for Gamma Irradiation Facility; Apparatus Two-Phase Single-Pass Flow-Through System; Pressurized Unsaturated Flow (PUF) System

Education and Credentials

  • Ph.D., Environmental Engineering
  • M.S., Nuclear Engineering
  • B.S., Nuclear Engineering
  • Japanese Program for Professionals

Affiliations and Professional Service

  • International Expert Panel Member, Glass Model for Repository (GLAMOR), SCK-CNE, Mol, Belgium
  • Session Chair, Geological Society of America Annual Conference, November 13-17, 2000. Reno, Nevada
  • Session Chair, International Topical Workshop on Glass in Its Disposal Environment, April 11-13, 2000. Burges, Belgium
  • Materials Research Society
  • American Ceramic Society
  • American Geophysical Union
  • Book Editor and Symposium Chairman, Scientific Basis for Nuclear Waste Management XXV, Materials Research Society, November 26-30, 2001. Boston, Massachusetts

Awards and Recognitions

  • Outstanding Achievement Award, Pressurized Unsaturated Flow System Development, Pacific Northwest National Laboratory, 1998.
  • Outstanding Technical Achievement Award, Tank Waste Remeidation System, Ferrocyanide Unreviewed Safety Quesiton (USQ), 1992.
  • Outstanding Speaker Award, American Society of Metals, Puget Sound Chapter, 1987.

PNNL Patents

PNNL Publications

2018

  • Estevez L., D. Barpaga, J. Zheng, S.R. Sabale, R.L. Patel, J. Zhang, and B.P. McGrail, et al. 2018. "Hierarchically Porous Carbon Materials for CO2 Capture: The Role of Pore Structure." Industrial Engineering Chemistry Research 57, no. 4:1262-1268. PNNL-SA-129228. doi:10.1021/acs.iecr.7b03879
  • Lee M., B.P. McGrail, R.J. Rousseau, and V. Glezakou. 2018. "Molecular level investigation of CH4 and CO2 adsorption in hydrated Ca-Montmorillonite." Journal of Physical Chemistry C 122, no. 2:1125-1134. PNNL-SA-125044. doi:10.1021/acs.jpcc.7b05364
  • Liu J., J. Zheng, D. Barpaga, S.R. Sabale, B.W. Arey, M.A. Derewinski, and B.P. McGrail, et al. 2018. "A Tunable Bimetallic MOF-74 for Adsorption Chiller Applications." European Journal of Inorganic Chemistry 2018, no. 7:885-889. PNNL-SA-129916. doi:10.1002/ejic.201800042
  • Liu J., M.D. Bearden, C.A. Fernandez, L.S. Fifield, S.K. Nune, R.K. Motkuri, and P.K. Koech, et al. 2018. "Techno-economic analysis of magnesium extraction from seawater via a catalyzed organo-metathetical process." JOM. The Journal of the Minerals, Metals and Materials Society 70, no. 3:431-435. PNNL-SA-119113. doi:10.1007/s11837-017-2735-6
  • Motkuri R.K., V.S. Vemuri, D. Barpaga, H.T. Schaef, J.S. Loring, P.F. Martin, and D. Lao, et al. 2018. "An Efficient, Solvent-Free Process for Synthesizing Anhydrous MgCl2." ACS Sustainable Chemistry & Engineering 6, no. 1:1048-1054. PNNL-SA-119379. doi:10.1021/acssuschemeng.7b03366

2017

  • De S., M.I. Nandasiri, H.T. Schaef, B.P. McGrail, S.K. Nune, and J. Lutkenhaus. 2017. "Water-based assembly of polymer-metal organic framework (MOF) functional coatings." Advanced Materials Interfaces 4, no. 2:Article No. 1600905. PNNL-SA-121155. doi:10.1002/admi.201600905
  • Elsaidi S.K., M.A. Sinnwell, D. Banerjee, A. Devaraj, R.K. Kukkadapu, T.C. Droubay, and Z. Nie, et al. 2017. "Reduced Magnetism in Core-Shell Magnetite@MOF Composites." Nano Letters 17, no. 11:6968-6973. PNNL-SA-122221. doi:10.1021/acs.nanolett.7b03451
  • Jenks J., R.K. Motkuri, W.E. TeGrotenhuis, B.K. Paul, and B.P. McGrail. 2017. "Simulation and Experimental Study of Metal Organic Frameworks Used in Adsorption Cooling." Heat Transfer Engineering 38, no. 14-15:1305-1315. PNNL-SA-129940. doi:10.1080/01457632.2016.1242965
  • McGrail B.P., H.T. Schaef, F.A. Spane, J.A. Horner, A.T. Owen, J.B. Cliff, and O. Qafoku, et al. 2017. "Wallula Basalt Pilot Demonstration Project: Post-Injection Results and Conclusions." Energy Procedia 114. PNNL-SA-121381. doi:10.1016/j.egypro.2017.03.1716
  • McGrail B.P., H.T. Schaef, F.A. Spane, J.B. Cliff, O. Qafoku, J.A. Horner, and C.J. Thompson, et al. 2017. "Field Validation of Supercritical CO2 Reactivity with Basalts." Environmental Science & Technology Letters 4, no. 1:6-10. PNNL-SA-119127. doi:10.1021/acs.estlett.6b00387
  • McGrail B.P., P.K. Thallapally, J. Liu, and S.K. Nune. 2017. Magnetic Partitioning Nanofluid for Rare Earth Extraction from Geothermal Fluids. PNNL-26721. Richland, WA: Pacific Northwest National Laboratory.
  • Zheng J., V.S. Vemuri, L. Estevez, P.K. Koech, T. Varga, D.M. Camaioni, and T.A. Blake, et al. 2017. "Pore-Engineered Metal-Organic Frameworks with Excellent Adsorption of Water and Fluorocarbon Refrigerant for Cooling Applications." Journal of the American Chemical Society 139, no. 31:10601-10604. PNNL-SA-124980. doi:10.1021/jacs.7b04872

2016

  • Das A.K., V.S. Vemuri, I.V. Kutnyakov, B.P. McGrail, and R.K. Motkuri. 2016. "An Efficient Synthesis Strategy for Metal-Organic Frameworks: Dry-Gel Synthesis of MOF-74 Framework with High Yield and Improved Performance." Scientific Reports 6, no. 28050. PNNL-SA-113461. doi:10.1038/srep28050
  • Elsaidi S.K., M.H. Mohamed, J.S. Loring, B.P. McGrail, and P.K. Thallapally. 2016. "Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials." ACS Applied Materials & Interfaces 8, no. 42:28424-28427. PNNL-SA-122052. doi:10.1021/acsami.6b11116
  • Hopf J., S.N. Kerisit, F. Angeli, T.M. Charpentier, J.P. Icenhower, B.P. McGrail, and C.F. Windisch, et al. 2016. "Glass-water interaction: Effect of high-valence cations on glass structure and chemical durability." Geochimica et Cosmochimica Acta 181. PNNL-SA-116892. doi:10.1016/j.gca.2016.02.023
  • Jambovane S.R., S.K. Nune, R.T. Kelly, B.P. McGrail, Z. Wang, M.I. Nandasiri, and S. Katipamula, et al. 2016. "Continuous, One-pot Synthesis and Post-Synthetic Modification of NanoMOFs Using Droplet Nanoreactors." Scientific Reports. PNNL-SA-119000. doi:10.1038/srep36657
  • Li B., J. Liu, Z. Nie, W. Wang, D.M. Reed, J. Liu, and B.P. McGrail, et al. 2016. "Metal-organic frameworks as highly active electrocatalysts for high-energy density, aqueous zinc-polyiodide redox flow batteries." Nano Letters 16, no. 7:4335-4340. PNNL-SA-116994. doi:10.1021/acs.nanolett.6b01426
  • Nandasiri M.I., J. Liu, B.P. McGrail, J.W. Jenks, H.T. Schaef, V. Shutthanandan, and Z. Nie, et al. 2016. "Increased Thermal Conductivity in Metal-Organic Heat Carrier Nanofluids." Scientific Reports 6. PNNL-SA-116018. doi:10.1038/srep27805
  • Nandasiri M.I., S.R. Jambovane, B.P. McGrail, H.T. Schaef, and S.K. Nune. 2016. "Adsorption, Separation, and Catalytic Properties of Densified Metal-Organic Frameworks." Coordination Chemistry Reviews 311. PNNL-SA-114703. doi:10.1016/j.ccr.2015.12.004
  • Oleksiak M.D., A. Ghorbanpour, M.T. Conato, B.P. McGrail, L.C. Grabow, R.K. Motkuri, and J.D. Rimer. 2016. "Synthesis strategies for ultrastable zeolite GIS polymorphs as sorbents for selective separations." Chemistry - A European Journal 22, no. 45:16078-16088. PNNL-SA-120609. doi:10.1002/chem.201602653
  • Prodinger S., V.S. Vemuri, T. Varga, B.P. McGrail, R.K. Motkuri, and M.A. Derewinski. 2016. "Impact of chabazite SSZ-13 textural properties and chemical composition on CO2 adsorption applications." New Journal of Chemistry 40, no. 5:4375-4385. PNNL-SA-114645. doi:10.1039/C5NJ03205A
  • Sabale S.R., J. Zheng, V.S. Vemuri, X. Yu, B.P. McGrail, and R.K. Motkuri. 2016. "Recent Advances in Metal-Organic Frameworks for Heterogeneous Catalyzed Organic Transformations." Synthesis and Catalysis : Open Access 1, no. 1:Article No. 5. PNNL-SA-122322.
  • Zhang W., D. Banerjee, J. Liu, H.T. Schaef, J.V. Crum, C.A. Fernandez, and R.K. Kukkadapu, et al. 2016. "Redox-Active Metal-Organic Composites for Highly Selective Oxygen Separation Applications." Advanced Materials 28, no. 18:3572-3577. PNNL-SA-112948. doi:10.1002/adma.201600259

2015

  • Annapureddy H., S.K. Nune, R.K. Motkuri, B.P. McGrail, and L.X. Dang. 2015. "A Combined Experimental and Computational Study on the Stability of Nanofluids Containing Metal Organic Frameworks." Journal of Physical Chemistry B 119, no. 29:8992-8999. PNNL-SA-104453. doi:10.1021/jp5079086
  • Bacon D.H., C. Yonkofski, H.T. Schaef, M.D. White, and B.P. McGrail. 2015. "CO2 Storage by Sorption on Organic Matter and Clay in Gas Shale." Journal of Unconventional Oil and Gas Resources 12. PNNL-SA-107851. doi:10.1016/j.juogr.2015.09.004
  • Davidson C.L., M.D. Bearden, J.A. Horner, J.E. Cabe, D. Appriou, and B.P. McGrail. 2015. Geothermally Coupled Well-Based Compressed Air Energy Storage. PNNL-25171. Richland, WA: Pacific Northwest National Laboratory.
  • Fernandez C.A., S.K. Nune, H.V. Annapureddy, L.X. Dang, B.P. McGrail, F. Zheng, and E. Polikarpov, et al. 2015. "Hydrophobic and moisture-stable metal-organic frameworks." Dalton Transactions 44, no. 30:13490 - 13497. PNNL-SA-106696. doi:10.1039/C5DT00606F
  • Jenks J.W., W.E. TeGrotenhuis, R.K. Motkuri, B. Paul, and B.P. McGrail. 2015. "A COMPUTATIONAL AND EXPERIMENTAL STUDY OF METAL AND COVALENT ORGANIC FRAMEWORKS USED IN ADSORPTION COOLING." In ASME 2015 13th International Conference on Nanochannels, Microchannels, and Minichannels collocated with the ASME 2015 International Technical Conference and Exhibition on Packaging and Integration of Electronic and Photonic Microsystems, July 6-9, 2015, San Francisco, California, Paper No. ICNMM2015-48822; V001T03A012. New York, New York:ASME. PNNL-SA-116030. doi:10.1115/ICNMM2015-48822
  • Jeon J., L. Zhang, J. Lutkenhaus, D.D. Laskar, J.P. Lemmon, D. Choi, and M.I. Nandasiri, et al. 2015. "Controlling Porosity in Lignin-Derived Nanoporous Carbon for Supercapacitor Applications." ChemSusChem 8, no. 3:428-432. PNNL-SA-106038. doi:10.1002/cssc.201402621
  • Lee M., B.P. McGrail, R.J. Rousseau, and V.A. Glezakou. 2015. "Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations." Scientific Reports 5. PNNL-SA-105852. doi:10.1038/srep14857
  • Loring J.S., J. Chen, P. Benezeth Ep Gisquet, O. Qafoku, E.S. Ilton, N.M. Washton, and C.J. Thompson, et al. 2015. "Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide." Langmuir 31, no. 27:7533-7543. PNNL-SA-110896. doi:10.1021/acs.langmuir.5b01052
  • Loring J.S., J. Chen, P. Benezeth, O. Qafoku, E.S. Ilton, N.M. Washton, and C.J. Thompson, et al. 2015. "Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide." Langmuir 31, no. 27:7533-7543. PNNL-SA-109630. doi:10.1021/acs.langmuir.5b01052
  • Miller Q.R., J. Kaszuba, H.T. Schaef, M.E. Bowden, and B.P. McGrail. 2015. "Impacts of Organic Ligands on Forsterite Reactivity in Supercritical CO2 Fluids." Environmental Science & Technology 49, no. 7:4724-4734. PNNL-SA-109524. doi:10.1021/es506065d
  • Nune S.K., P.K. Thallapally, B.P. McGrail, H.V. Annapureddy, L.X. Dang, D. Mei, and N.K. Karri, et al. 2015. "Adsorption Kinetics in Nanoscale Porous Coordination Polymers." ACS Applied Materials & Interfaces 7, no. 39:21712-21716. PNNL-SA-104104. doi:10.1021/acsami.5b04109
  • Schaef H.T., J.S. Loring, V.A. Glezakou, Q.R. Miller, J. Chen, A.T. Owen, and M. Lee, et al. 2015. "Competitive Sorption of CO2 and H2O in 2:1 Layer Phyllosilicates." Geochimica et Cosmochimica Acta 16. PNNL-SA-101900. doi:10.1016/j.gca.2015.03.027

2014

  • Annapureddy H.V., R.K. Motkuri, P.T. Nguyen, T.B. Truong, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2014. "Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases." Molecular Simulation 40, no. 7-9:571-584. PNNL-SA-96111. doi:10.1080/08927022.2013.829224
  • Bacon D.H., R. Ramanathan, H.T. Schaef, and B.P. McGrail. 2014. "Simulating Geologic Co-sequestration of Carbon Dioxide and Hydrogen Sulfide in a Basalt Formation." International Journal of Greenhouse Gas Control 21. PNNL-SA-97883. doi:10.1016/j.ijggc.2013.12.012
  • Cantu Cantu D., B.P. McGrail, and V.A. Glezakou. 2014. "Formation mechanism of the secondary building unit in a chromium terephthalate metal-organic framework." Chemistry of Materials 26, no. 22:6401-6409. PNNL-SA-103317. doi:10.1021/cm5027859
  • Davidson C.L., R.T. Dahowski, J.J. Dooley, and B.P. McGrail. 2014. "Modelling the deployment of CO2 storage in U.S. gas-bearing shales." Energy Procedia 63. PNNL-SA-105506. doi:10.1016/j.egypro.2014.11.763
  • Fernandez C.A., P.F. Martin, H.T. Schaef, M.E. Bowden, P.K. Thallapally, L.X. Dang, and W. Xu, et al. 2014. "An Electrically Switchable Metal-Organic Framework." Scientific Reports 12, no. 3:Article No. 6114. PNNL-SA-105621. doi:10.1038/srep06114
  • Jeon J., R. Sharma, P. Meduri, B.W. Arey, H.T. Schaef, J. Lutkenhaus, and J.P. Lemmon, et al. 2014. "In Situ One-Step Synthesis of Hierarchical Nitrogen-Doped Porous Carbon for High Performance Supercapacitors." ACS Applied Materials & Interfaces 6, no. 10:7214-7222. PNNL-SA-99833. doi:10.1021/am500339x
  • Lee M., B.P. McGrail, and V.A. Glezakou. 2014. "Microstructural Response of Variably Hydrated Ca-Rich Montmorillonite to Supercritical CO2." Environmental Science & Technology 48, no. 15:8612-8619. PNNL-SA-99819. doi:10.1021/es5005889
  • McGrail B.P., F.A. Spane, J.E. Amonette, C.J. Thompson, and C.F. Brown. 2014. "Injection and Monitoring at the Wallula Basalt Pilot Project." Energy Procedia 63. PNNL-SA-107959. doi:10.1016/j.egypro.2014.11.316
  • Motkuri R.K., H.V. Annapureddy, M. Vijayakumar, H.T. Schaef, P.F. Martin, B.P. McGrail, and L.X. Dang, et al. 2014. "Fluorocarbon Adsorption in Hierarchical Porous Frameworks." Nature Communications 5. PNNL-SA-99164. doi:10.1038/ncomms5368
  • Motkuri R.K., J. Liu, C.A. Fernandez, S.K. Nune, P.K. Thallapally, and B.P. McGrail. 2014. "Metal-Organic Frameworks - Synthesis and Applications." In Industrial Catalysis and Separations: Innovations for Process Intensification, edited by KV Raghavan and BM Reddy. 61-103. Waretown, New Jersey:Apple Academic Press Inc. PNNL-SA-97713.
  • Schaef H.T., C.L. Davidson, A.T. Owen, Q.R. Miller, J.S. Loring, C.J. Thompson, and D.H. Bacon, et al. 2014. "CO2 Utilization and Storage in Shale Gas Reservoirs: Experimental Results and Economic Impacts." Energy Procedia 63. PNNL-SA-105772. doi:10.1016/j.egypro.2014.11.819
  • Schaef H.T., J.A. Horner, A.T. Owen, C.J. Thompson, J.S. Loring, and B.P. McGrail. 2014. "Mineralization of Basalts in the CO2-H2O-SO2-O2 System." Environmental Science & Technology 48, no. 9:5298-5305. PNNL-SA-98605. doi:10.1021/es404964j
  • Schaef H.T., V.A. Glezakou, A.T. Owen, S. Ramprasad, P.F. Martin, and B.P. McGrail. 2014. "Surface Condensation of CO2 onto Kaolinite." Environmental Science & Technology Letters 1, no. 2:142-145. PNNL-SA-98478. doi:10.1021/ez400169b

2013

  • Glezakou V.A., and B.P. McGrail. 2013. "Density functional simulations as a tool to probe molecular interactions in wet supercritical CO2." In Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, edited by G Fitzgerald and N Govind. 31-49. Washington Dc:American Chemical Society. PNNL-SA-92743.
  • McGrail B.P., P.K. Thallapally, J. Blanchard, S.K. Nune, J.W. Jenks, and L.X. Dang. 2013. "Metal-Organic Heat Carrier Nanofluids." Nano Energy 2, no. 5:845-855. PNNL-SA-92428. doi:10.1016/j.nanoen.2013.02.007
  • Motkuri R.K., P.K. Thallapally, and B.P. McGrail. 2013. "Porous Hexacyanometalates for CO2 capture applications." Proceedings of A.P. Akademi of Sciences XV, no. 2:81-84. PNNL-SA-93375.
  • Schaef H.T., B.P. McGrail, A.T. Owen, and B.W. Arey. 2013. "Mineralization of Basalts in the CO2-H2O-H2S System." International Journal of Greenhouse Gas Control 16. PNNL-SA-90285. doi:10.1016/j.ijggc.2013.03.020
  • Schaef H.T., B.P. McGrail, J.S. Loring, M.E. Bowden, B.W. Arey, and K.M. Rosso. 2013. "Forsterite [Mg2SiO4)] Carbonation in Wet Supercritical CO2: An in situ High Pressure X-Ray Diffraction Study." Environmental Science & Technology 47, no. 1:174-181. PNNL-SA-84791. doi:10.1021/es301126f
  • Schaef H.T., Q. Miller, C.J. Thompson, J.S. Loring, M.E. Bowden, B.W. Arey, and B.P. McGrail, et al. 2013. "Silicate Carbonation in Supercritical CO2 Containing Dissolved H2O: An in situ High Pressure X-Ray Diffraction Study." Energy Procedia 37. PNNL-SA-85671. doi:10.1016/j.egypro.2013.06.514

2012

  • Dang L.X., H.V. Annapureddy, X. Sun, P.K. Thallapally, and B.P. McGrail. 2012. "Understanding nanofluid stability through molecular simulation." Chemical Physics Letters 551. PNNL-SA-84205. doi:10.1016/j.cplett.2012.09.025
  • Fernandez C.A., P.K. Thallapally, and B.P. McGrail. 2012. "Insights into the Temperature-Dependent “Breathing” of a Flexible Fluorinated Metal-Organic Framework." ChemPhysChem 13, no. 14:3275-3281. PNNL-SA-88461. doi:10.1002/cphc.201200243
  • Glezakou V.A., B.P. McGrail, and H.T. Schaef. 2012. "Molecular interactions of SO2 with carbonate minerals under co-sequestration conditions: a combined experimental and theoretical study." Geochimica et Cosmochimica Acta 92. PNNL-SA-83215. doi:10.1016/j.gca.2012.06.015
  • Liu J., J. Tian, P.K. Thallapally, and B.P. McGrail. 2012. "Selective CO2 Capture from Flue Gas Using Metal-Organic Frameworks?A Fixed Bed Study." Journal of Physical Chemistry C 116, no. 17:9575 - 9581. PNNL-SA-83603. doi:10.1021/jp300961j
  • Liu J., P.K. Thallapally, B.P. McGrail, D.R. Brown, and J. Liu. 2012. "Progress in Adsorption-Based CO2 Capture by Metal-Organic Frameworks." Chemical Society Reviews 41, no. 6:2308 - 2322. PNNL-SA-81981. doi:10.1039/C1CS15221A
  • McGrail B.P., C.J. Freeman, C.F. Brown, E.C. Sullivan, S.K. White, S. Reddy, and R. Garber, et al. 2012. "Overcoming Business Model Uncertainty in a Carbon Dioxide Capture and Sequestration Project: Case Study at the Boise White Paper Mill." International Journal of Greenhouse Gas Control 9. PNWD-SA-9733. doi:10.1016/j.ijggc.2012.03.009
  • Tian J., P.K. Thallapally, and B.P. McGrail. 2012. "Gas Storage and Separation in Supramolecular Materials." In Supramolecular Chemistry: From Molecules to Nanomaterials, edited by JW Steed and PA Gale. 3133-3152. Hoboken, New Jersey:Wiley. PNNL-SA-74064.
  • Tian J., P.K. Thallapally, and B.P. McGrail. 2012. "Porous Organic Molecular Materials." CrystEngComm 14, no. 6:1909 - 1919. PNNL-SA-83797.
  • White M.D., D.H. Bacon, B.P. McGrail, D.J. Watson, S.K. White, and Z.F. Zhang. 2012. STOMP Subsurface Transport Over Multiple Phases: STOMP-CO2 and STOMP-CO2e Guide: Version 1.0. PNNL-21268. Richland, WA: Pacific Northwest National Laboratory.
  • Windisch C.F., B.P. McGrail, and G.D. Maupin. 2012. Soret Effect Study on High-Pressure CO2-Water Solutions Using UV-Raman Spectroscopy and a Concentric-Tube Optical Cell. PNNL-21156. Richland, WA: Pacific Northwest National Laboratory.
  • Windisch C.F., G.D. Maupin, and B.P. McGrail. 2012. "Ultraviolet (UV) Raman Spectroscopy Study of the Soret Effect in High-Pressure CO2-Water Solutions." Applied Spectroscopy 66, no. 7:731-739. PNNL-SA-85022. doi:10.1366/12-06591
  • Windisch C.F., H.T. Schaef, P.F. Martin, A.T. Owen, and B.P. McGrail. 2012. "Following 18O uptake in scCO2-H2O mixtures with Raman spectroscopy." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 94. PNNL-SA-84943. doi:10.1016/j.saa.2012.03.065
  • Windisch C.F., V.A. Glezakou, P.F. Martin, B.P. McGrail, and H.T. Schaef. 2012. "Raman Spectrum of Supercritical C18O2 and Re-Evaluation of the Fermi Resonance." Physical Chemistry Chemical Physics. PCCP 14, no. 8:2560-2566. PNNL-SA-79421. doi:10.1039/c1cp22349f

2011

  • McGrail B.P., F.A. Spane, E.C. Sullivan, D.H. Bacon, and G. Hund. 2011. "The Wallula Basalt Sequestration Pilot Project." Energy Procedia 4. PNWD-SA-9088. doi:10.1016/j.egypro.2011.02.557
  • Motkuri R.K., P.K. Thallapally, S.K. Nune, C.A. Fernandez, B.P. McGrail, J.L. Atwood, and J.L. Atwood. 2011. "Role of hydrocarbons in pore expansion and contraction of a flexible metal-organic framework." Chemical Communications 47, no. 25:7077-7079. PNNL-SA-77576. doi:10.1039/c1cc11738f
  • Schaef H.T., B.P. McGrail, and A.T. Owen. 2011. "Basalt Reactivity Variability with Reservoir Depth in Supercritical CO2 and Aqueous Phases." Energy Procedia 4. PNNL-SA-74778. doi:10.1016/j.egypro.2011.02.468
  • Schaef H.T., C.F. Windisch, B.P. McGrail, P.F. Martin, and K.M. Rosso. 2011. "Brucite [Mg(OH2)] Carbonation in Wet Supercritical CO2: An in situ High Pressure X-Ray Diffraction Study." Geochimica et Cosmochimica Acta 75, no. 1:7458-7471. PNNL-SA-78165. doi:10.1016/j.gca.2011.09.029
  • Sullivan E.C., B.A. Hardage, B.P. McGrail, and K.N. Davis. 2011. "Breakthroughs in Seismic and Borehole Characterization of Basalt Sequestration Targets." Energy Procedia 4. PNNL-SA-74983. doi:10.1016/j.egypro.2011.02.551
  • Sun X., C.D. Wick, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2011. "Computational study of hydrocarbon adsorption in metal-organic framework Ni2(dhtp)." Journal of Physical Chemistry B 115, no. 12:2842-2849. PNNL-SA-74246. doi:10.1021/jp1115299
  • Sun X., C.D. Wick, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2011. "Molecular mechanism of hydrocarbons binding to the metal-organic framework." Chemical Physics Letters 501, no. 4-6:455-460. PNNL-SA-75841. doi:10.1016/j.cplett.2010.11.070
  • Tian J., S. Ma, P.K. Thallapally, D. Fowler, B.P. McGrail, J.L. Atwood, and J.L. Atwood. 2011. "Cucurbit[7]uril: an Amorphous Molecular Material for Highly Selective Carbon Dioxide Uptake." Chemical Communications 47, no. 27:7626-7628. PNNL-SA-79807. doi:10.1039/C1CC12689J
  • Um W., H. Jung, P.F. Martin, and B.P. McGrail. 2011. Effective Permeability Change in Wellbore Cement with Carbon Dioxide Reaction. PNNL-20843. Richland, WA: Pacific Northwest National Laboratory.
  • Van Iseghem P., M. Aerstens, S. Gin, B. Grambow, D.M. Strachan, B.P. McGrail, and G.G. Wicks, et al. 2011. "GLAMOR - OR HOW WE ACHIEVED A COMMON UNDERSTANDING ON THE DECREASE OF GLASS DISSOLUTION KINETICS THROUGH INTERNATIONAL COOPERATION." Journal of the South Carolina Academy of Science 9, no. 1:9-12. PNNL-SA-75338.
  • White M.D., B.P. McGrail, H.T. Schaef, J.Z. Hu, D.W. Hoyt, A.R. Felmy, and K.M. Rosso, et al. 2011. "Multiphase Sequestration Geochemistry: Model for Mineral Carbonation." Energy Procedia 4. PNNL-SA-74658. doi:10.1016/j.egypro.2011.02.472
  • White M.D., S.K. Wurstner, and B.P. McGrail. 2011. "Numerical studies of methane production from Class 1 gas hydrate accumulations enhanced with carbon dioxide injection." Marine and Petroleum Geology 28, no. 2:546-560. PNWD-SA-8567. doi:10.1016/j.marpetgeo.2009.06.008

2010

  • Daschbach J.L., X. Sun, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2010. "Grand Canonical Monte Carlo studies of CO2 and CH4 adsorption in p-tert-butylcalix[4]arene." Journal of Physical Chemistry B 114, no. 17:5764-5768. PNNL-SA-67808.
  • Fernandez C.A., S.K. Nune, R.K. Motkuri, P.K. Thallapally, C.M. Wang, J. Liu, and G.J. Exarhos, et al. 2010. "Synthesis, characterization, and application of metal organic framework nanostructures." Langmuir 26, no. 24:18591-18594. PNNL-SA-75145. doi:10.1021/la103590t
  • Glezakou V.A., R.J. Rousseau, L.X. Dang, and B.P. McGrail. 2010. "'Structure, Dynamics and Vibrational Spectrum of Supercritical CO2/H2O Mixtures from Ab Initio Molecular Dynamics as a Function of Water Cluster Formation." Physical Chemistry Chemical Physics. PCCP 12, no. 31:8759-8771. PNNL-SA-68735. doi:10.1039/B923306G
  • Krupka K.M., K.J. Cantrell, and B.P. McGrail. 2010. Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration - Literature Review. PNNL-19766. Richland, WA: Pacific Northwest National Laboratory.
  • Motkuri R.K., J. Tian, P.K. Thallapally, C.A. Fernandez, S.J. Dalgarno, J.E. Warren, and J.E. Warren, et al. 2010. "Flexible metal-organic supramolecular isomers for gas separation." Chemical Communications 46, no. 4:538-540. PNNL-SA-65215. doi:10.1039/b913910a
  • Motkuri R.K., P.K. Thallapally, B.P. McGrail, and B.S. Ghorishi. 2010. "Dehydrated Prussian Blues for CO2 Storage and Separation Applications." CrystEngComm 12, no. 12:4003 - 4006. PNNL-SA-73618. doi:10.1039/C0CE00199F
  • Nune S.K., P.K. Thallapally, and B.P. McGrail. 2010. "Metal organic gels (MOGs): a new class of sorbents for CO2 separation applications." Journal of Materials Chemistry 20, no. 36:7623-7625. PNNL-SA-73546. doi:10.1039/c0jm01907k
  • Pierce E.M., L.R. Reed, W.J. Shaw, B.P. McGrail, J.P. Icenhower, C.F. Windisch, and E.A. Cordova, et al. 2010. "Experimental Determination of the Effect of the Ratio of B/Al on Glass Dissolution along the Nepheline (NaAlSiO4) - Malinkoite (NaBSiO4) Join." Geochimica et Cosmochimica Acta 74. PNNL-SA-61097. doi:10.1016/j.gca.2009.09.006
  • Schaef H.T., B.P. McGrail, and A.T. Owen. 2010. "Carbonate Mineralization of Volcanic Province Basalts." International Journal of Greenhouse Gas Control 4, no. 2:249-261. PNNL-SA-65778.
  • Skomurski F.N., K.M. Rosso, K.M. Krupka, and B.P. McGrail. 2010. "Technetium incorporation into hematite (a-Fe2O3)." Environmental Science & Technology 44, no. 15:5855-5861. PNNL-SA-70308.
  • Thallapally P.K., R.K. Motkuri, C.A. Fernandez, B.P. McGrail, and G.s. Behrooz. 2010. "Prussian Blue Analogues for CO2 and SO2 Capture and Separation Applications." Inorganic Chemistry 49, no. 11:4909-4915. PNWD-SA-8578. doi:10.1021/ic902397w
  • Tian J., R.K. Motkuri, P.K. Thallapally, and B.P. McGrail. 2010. "Metal-Organic Framework Isomers with Diamondoid Networks Constructed of a Semi-Rigid Tetrahedral Linker." Crystal Growth & Design 10, no. 12:5327-5333. PNNL-SA-75153. doi:10.1021/cg101222w
  • Windisch C.F., P.K. Thallapally, and B.P. McGrail. 2010. "Competitive Adsorption Study of CO2 and SO2 on CoII3[CoIII(CN)6]2 Using DRIFTS." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 77, no. 1:287-291. PNNL-SA-71661. doi:10.1016/j.saa.2010.05.024

2009

  • Daschbach J.L., X. Sun, T. Chang, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2009. "Computational studies of load-dependent guest dynamics and free energies of inclusion for CO2 in low-density p-tert-butylcalix[4]arene at loadings up to 2:1." Journal of Physical Chemistry A 113, no. 14:3369-3374. PNNL-SA-62556. doi:10.1021/jp808490g
  • Glezakou V.A., L.X. Dang, and B.P. McGrail. 2009. "Spontaneous activation of CO2 and possible corrosion pathways on the low-index Iron surface Fe(100)." Journal of Physical Chemistry C 113, no. 9:3691-3696. PNNL-SA-61914.
  • Icenhower J.P., E.M. Pierce, and B.P. McGrail. 2009. "The Impact of Na-H+ Exchange on Long-Term Borosilicate Glass Corrosion: Experiments and Field Observations." In Waste Management 2009: Waste Management for the Nuclear Renaissance, March 1-5, 2009 (WM2009), Phoenix, Arizona, Paper No. 9404. Phoenix, Arizona:WM Symposia. PNNL-SA-64130.
  • McGrail B.P., H.T. Schaef, V.A. Glezakou, L.X. Dang, and A.T. Owen. 2009. "Water Reactivity in the Liquid and Supercritical CO2 Phase: Has Half the Story Been Neglected?." Energy Procedia 1, no. 1:3415-3419. PNNL-SA-68583. doi:10.1016/j.egypro.2009.02.131
  • Schaef H.T., and B.P. McGrail. 2009. "Dissolution of Columbia River Basalt Under Mildly Acidic Conditions as a Function of Temperature: Experimental Results Relevant to the Geological Sequestration of Carbon Dioxide." Applied Geochemistry 24, no. 5:980-987. PNNL-SA-60912.
  • Schaef H.T., B.P. McGrail, and A.T. Owen. 2009. "Basalt-CO2-H2O Interactions and Variability in Carbonate Mineralization Rates." In Energy Procedia, 9th International Conference on Greenhouse Gas Control Technologies, 1, 4899-4906. Amsterdam:Elsevier. PNNL-SA-62986.
  • Tian J., P.K. Thallapally, S.J. Dalgarno, B.P. McGrail, J.L. Atwood, and J.L. Atwood. 2009. "Amorphous Molecular Organic Solids for Gas Adsorption." Angewandte Chemie International Edition 48, no. 30:5492 -5495. PNNL-SA-64268.
  • Van Iseghem P., M. Aerstens, S. Gin, D. Deneele, B. Grambow, D.M. Strachan, and B.P. McGrail, et al. 2009. "GLAMOR - OR HOW WE ACHIEVED A COMMON UNDERSTANDING ON THE DECREASE OF GLASS DISSOLUTION KINETICS." Solid State Technology: The International Magazine for Semiconductor Manufacturing. 207. PNNL-SA-62684.
  • Windisch C.F., P.K. Thallapally, and B.P. McGrail. 2009. "Adsorption of CO2 on CoII3[CoIII(CN)6]2 Using DRIFTS." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 74, no. 3:629-634. PNNL-SA-65974. doi:10.1016/j.saa.2009.07.004

2008

  • Daschbach J.L., P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2008. "Dynamics and free energies of CH4 and CO2 in the molecular solid of the p-tert-butylcalix[4]arene." Chemical Physics Letters 453, no. 4-6:123-128. PNNL-SA-58339. doi:10.1016/j.cplett.2008.01.031
  • Icenhower J.P., B.P. McGrail, W.J. Shaw, E.M. Pierce, P. Nachimuthu, D.K. Shuh, and E.A. Rodriguez, et al. 2008. "Experimentally determined dissolution kinetics of Na-rich borosilicate glass at far from equilibrium conditions: Implications for Transition State Theory." Geochimica et Cosmochimica Acta 72, no. 12:2767-2788. PNNL-SA-56660. doi:10.1016/j.gca.2008.02.026
  • Pierce E.M., E.A. Rodriguez, L.J. Calligan, W.J. Shaw, and B.P. McGrail. 2008. "An Experimental Study of the Dissolution Rates of Simulated Aluminoborosilicate Waste Glasses as a Function of pH and Temperature under Dilute Conditions." Applied Geochemistry 23, no. 9:2559-2573. PNNL-SA-51589. doi:10.1016/j.apgeochem.2008.05.006
  • Thallapally P.K., B.P. McGrail, S.J. Dalgarno, H.T. Schaef, J. Tian, and J.L. Atwood. 2008. "Gas-Induced Transformation and Expansion of a Non-Porous Organic Solid." Nature Materials 7, no. 2:146-150. PNNL-SA-53644. doi:10.1038/nmat2097
  • Thallapally P.K., B.P. McGrail, S.J. Dalgarno, J.L. Atwood, and J.L. Atwood. 2008. "Gas/solvent-induced transformation and expansion of a nonporous solid to 1:1 host guest form." Crystal Growth & Design 8, no. 7:2090-2092. PNNL-SA-59418. doi:10.1021/cg800347n
  • Thallapally P.K., J. Tian, R.K. Motkuri, C.A. Fernandez, S.J. Dalgarno, B.P. McGrail, and J.E. Warren, et al. 2008. "Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO2 Separation Applications." Journal of the American Chemical Society 130, no. 50:16842-16843. PNNL-SA-61822. doi:10.1021/ja806391k
  • White M.D., and B.P. McGrail. 2008. "Numerical Simulation of Methane Hydrate Production From Geologic Formations via Carbon Dioxide Injection." In Waves of Change: Proceedings of the Offshore Technology Conference, May 5-8, 2008, Houston, TX, Paper No. OCT 19458. Richardson, Texas:Offshore Technology Conference. PNWD-SA-8114.

2007

  • Daschbach J.L., P.K. Thallapally, J.L. Atwood, J.L. Atwood, B.P. McGrail, and L.X. Dang. 2007. "Free energies of CO2/H-2 capture by p-tert-butylcalix[4]arene. A molecular dynamics study." Journal of Chemical Physics 127, no. 10:Art. No. 104702. PNNL-SA-55095.
  • McGrail B.P., H.T. Schaef, M.D. White, T. Zhu, A.S. Kulkarni, R.B. Hunter, and S.L. Patil, et al. 2007. Using Carbon Dioxide to Enhance Recovery of Methane from Gas Hydrate Reservoirs: Final Summary Report. PNNL-17035. Richland, WA: Pacific Northwest National Laboratory.
  • McGrail B.P., S. Ahmed, H.T. Schaef, A.T. Owen, P. Martin, and T. Zhu. 2007. "Gas Hydrate Property Measurements in Porous Sediments With Resonant Ultrasound Spectroscopy." Journal of Geophysical Research. Solid Earth 112, no. B05202. PNNL-SA-46843. doi:10.1029/2005JB004084
  • Pierce E.M., B.P. McGrail, P. Martin, J.C. Marra, B.W. Arey, and K.N. Geiszler. 2007. "Accelerated Weathering of High-Level and Plutonium-bearing Lanthanide Borosilicate Waste Glasses under Hydraulically Unsaturated Conditions." Applied Geochemistry 22, no. 9:1841-1859. PNNL-SA-44281. doi:10.1016/j.apgeochem.2007.03.056
  • Thallapally P.K., B.P. McGrail, and J.L. Atwood. 2007. "Sorption of nitrogen oxides in a nonporous crystal." Chemical Communications. PNNL-SA-52919. doi:10.1039/b617340c
  • Thallapally P.K., B.P. McGrail, J.L. Atwood, C. Gaeta, and P. Neri. 2007. "Carbon Dioxide Capture in a Self-Assembled Organic Nanochannels." Chemistry of Materials 19, no. 14:3355-3357. PNNL-SA-53978. doi:10.1021/cm0709121

2006

  • Bagaasen L.M., T.M. Brouns, M.L. Elliott, P.R. Hrma, D. Kim, J. Matyas, and E.M. Pierce, et al. 2006. "Transport of Technetium and Rhenium into Refractory Materials during Bulk Vitrification." In Waste Management '06: Global Accomplishments in Environmental and Radioactive Waste Management: Education and Opportunity for the Next Generation of Waste Management Professionals. Tucson, Arizona:WM Symposia. PNNL-SA-48697.
  • Daschbach J.L., T. Chang, L.R. Corrales, L.X. Dang, and B.P. McGrail. 2006. "Molecular mechanisms of hydrogen loaded B-hydroquinone clathrate." Journal of Physical Chemistry B 110, no. 35:17291-17295. PNNL-SA-49829. doi:10.1021/jp062691c S1520-6106(06)02691-5
  • Icenhower J.P., D.M. Strachan, B.P. McGrail, R.D. Scheele, E.A. Rodriguez, J.L. Steele, and V.L. Legore. 2006. "Dissolution Kinetics of Pyrochlore Ceramics for the Disposition of Plutonium." The American Mineralogist 91, no. 1:39-53. PNNL-SA-45590.
  • Icenhower J.P., D.M. Strachan, B.P. McGrail, R.D. Scheele, E.A. Rodriguez, J.L. Steele, and V.L. LeGore. 2006. "Dissolution kinetics of pyrochlore ceramics for the disposition of plutonium." The American Mineralogist 91, no. 1:39-53. PNNL-SA-47458.
  • Mattigod S.V., B.P. McGrail, D.E. McCready, L.Q. Wang, K.E. Parker, and J.S. Young. 2006. "Synthesis and Structure of Perrhenate Sodalite." Microporous and Mesoporous Materials 91, no. 1-3:139-144. PNNL-SA-38162.
  • McGrail B.P., H.T. Schaef, A.M. Ho, Y. Chien, J.J. Dooley, and C.L. Davidson. 2006. "Potential for Carbon Dioxide Sequestration in Flood Basalts." Journal of Geophysical Research. Solid Earth 111, no. B12:Art. No. B12201. PNNL-SA-51345.
  • Ojovan M.I., W. Lee, A. Barinov, I.V. Startsceva, D.H. Bacon, B.P. McGrail, and J.D. Vienna. 2006. "Corrosion of low level vitrified radioactive waste in a loamy soil." Glass Technology 47, no. 2:48-55. PNNL-SA-52653.
  • Pierce E.M., B.P. McGrail, L.M. Bagaasen, E.A. Rodriguez, D.M. Wellman, K.N. Geiszler, and S.R. Baum, et al. 2006. Laboratory Testing of Bulk Vitrified Low-Activity Waste Forms to Support the 2005 Integrated Disposal Facility Performance Assessment. PNNL-15126 Rev. 2. Richland, WA: Pacific Northwest National Laboratory.
  • Pierce E.M., B.P. McGrail, M.M. Valenta, and D.M. Strachan. 2006. "The Accelerated Weathering of a Radioactive Low-Activity Waste Glass Under Hydraulically Unsaturated Conditions: Experimental Results from a Pressurized Unsaturated Flow Test." Nuclear Technology 155, no. 2:149-165. PNNL-SA-47753.
  • Saripalli K.P., V.L. Freedman, B.P. McGrail, and P.D. Meyer. 2006. "Characterization of the specific solid-water interfacial area-water saturation relationship and its import to reactive transport." Vadose Zone Journal 5, no. 2:777-783. PNNL-SA-50716. doi:10.2136/vzj2005.0145
  • White M.D., and B.P. McGrail. 2006. "STOMP-HYD: A New Numerical Simulator for Analysis of Methane Hydrate Production from Geologic Formations." In Proceedings of the 2nd International Symposium on Gas Hydrate Technology at the 43rd Coordinating Committee for Geoscience Programmes in East and Southeast Asia (CCOP) Annual Session, October 29 - November 3, 2006, Daejeon, Republic of Korea, edited by A Reedman, YS Park, JJ Bahk and N Chaimanee, 77-86. Bangkok:The Coordinating Committee for Geoscience Programmes in East and Southeast Asia (CCOP). PNWD-SA-7579.
  • White M.D., B.P. McGrail, H.T. Schaef, and D.H. Bacon. 2006. "Numerically Simulating Carbonate Mineralization of Basalt with Injection of Carbon Dioxide into Deep Saline Formations." In Proceedings of the XVI International Conference on Computational Methods in Water Resources (CMWR XVI), June 19-22 2006, Copenhagen, Denmark. Kgs. Lyngby:Technical University of Denmark. PNNL-SA-48948. doi:10.4122/1.1000000368

2005

  • Bacon D.H., and B.P. McGrail. 2005. Waste Form Release Calculations for the 2005 Integrated Disposal Facility Performance Assessment. PNNL-15198. Richland, WA: Pacific Northwest National Laboratory.
  • Kim D., C.Z. Soderquist, J.P. Icenhower, B.P. McGrail, R.D. Scheele, B.K. McNamara, and L.M. Bagaasen, et al. 2005. Tc Reductant Chemistry and Crucible Melting Studies with Simulated Hanford Low-Activity Waste. PNNL-15131. Richland, WA: Pacific Northwest National Laboratory.
  • McGrail B.P., J.S. Young, P.F. Martin, and M.L. Alexander. 2005. "Characterization of JAPEX/JNOC/GSC et al. Mallik 5L-38 Core Samples in the Environmental Scanning Electron Microscope." In Scientific Results from the Mallik 2002 Gas Hydrate Production Research Well Program, Mackenzie Delta, Northwest Territories, Canada, edited by SR Dallimore and TS Collett. Ottawa, :Geological Survey of Canada. PNNL-SA-40801.
  • Pierce E.M., B.P. McGrail, L.M. Bagaasen, E.A. Rodriguez, D.M. Wellman, K.N. Geiszler, and S.R. Baum, et al. 2005. Laboratory Testing of Bulk Vitrified Low-Activity Waste Forms to Support the 2005 Integrated Disposal Facility Performance Assessment. PNNL-15126 Rev. 1. Richland, WA: Pacific Northwest National Laboratory.
  • Pierce E.M., B.P. McGrail, L.M. Bagaasen, E.A. Rodriguez, D.M. Wellman, K.N. Geiszler, and S.R. Baum, et al. 2005. Laboratory Testing of Bulk Vitrified Low-Activity Waste Forms to Support the 2005 Integrated Disposal Facility Performance Assessment. PNNL-15126. Richland, WA: Pacific Northwest National Laboratory.
  • White M.D., and B.P. McGrail. 2005. STOMP Subsurface Transport Over Multiple Phases Version 1.0 Addendum: ECKEChem Equilibrium-Conservation-Kinetic Equation Chemistry and Reactive Transport. PNNL-15482. Richland, WA: Pacific Northwest National Laboratory.

2004

  • Bacon D.H., M.D. White, and B.P. McGrail. 2004. Subsurface Transport Over Reactive Multiphases (STORM): A Parallel, Coupled, Nonisothermal Multiphase Flow, Reactive Transport, and Porous Medium Alteration Simulator, Version 3.0. PNNL-14783. Richland, WA: Pacific Northwest National Laboratory.
  • Icenhower J.P., A. Luttge, B.P. McGrail, M.S. Beig, R.S. Arvidson, E.A. Cordova, and J.L. Steele, et al. 2004. "Results of Vertical Scanning Interferometry (VSI) of Dissolved Borosilicate Glass: Evidence for Variable Surface Features and Global Surface Retreat." In Scientific Basis for Nuclear Waste Management XXVI, edited by Robert J. Finch and Daniel B. Bullen. 119-126. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-39335.
  • Icenhower J.P., S.D. Samson, A. Luttge, and B.P. McGrail. 2004. "Towards a Consistent Rate Law: Glass Corrosion Kinetics Near Saturation." In “Energy, Waste, and the Environment - A geochemical Perspective”, edited by R. Gieré and P. Stille. 579-594. London:Geological Society of London. PNNL-SA-41095.
  • McCready D.E., S.V. Mattigod, J.S. Young, and B.P. McGrail. 2004. "X-Ray Powder Diffraction Data for Na8(AlSiO4)6(ReO4)2." In Advances in X-Ray Analysis : Proceedings of the Denver X-Ray Conference, 47. Newtown Square, Pennsylvania:International Centre for Diffraction Data. PNNL-SA-40098.
  • Pierce E.M., B.P. McGrail, E.A. Rodriguez, H.T. Schaef, P. Saripalli, R.J. Serne, and K.M. Krupka, et al. 2004. Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. PNNL-14805. Richland, WA: Pacific Northwest National Laboratory.
  • Pierce E.M., B.P. McGrail, J.P. Icenhower, E.A. Cordova, J.L. Steele, and S.R. Baum. 2004. "Kinetic Rate Law Parameter Measurements on a Borosilicate Waste Glass: Effect of Temperature, pH, and Solution Composition on Alkali Ion Exchange." In American Chemical Society Division of Environmental Chemistry. Preprints of extended abstracts presented at the 228th ACS National Meeting, Philadelphia, PA August 22-26, 2004, 44, 1151-1158. Washington, District Of Columbia:American Chemical Society. PNNL-SA-41693.
  • Pierce E.M., B.P. McGrail, L.M. Bagaasen, D.M. Wellman, J.V. Crum, K.N. Geiszler, and S.R. Baum. 2004. Progress Report on the Laboratory Testing of the Bulk Vitrification Cast Refractory. PNNL-14935. Richland, WA: Pacific Northwest National Laboratory.
  • Van Iseghem P., M. Aetsens, K. Lemmens, S. Gin, D. Deneele, B. Grambow, and B.P. McGrail, et al. 2004. "GLAMOR: A critical evaluation of the dissolution mechanisms of high-level waste glasses in conditions of relevance for geological disposal." In EURADWASTE 2004: Radioactive Waste Management Community Policy and Research Initiatives, 6th European Commission Conference on the Management and Disposal of Radioactive Waste, March 29 - April 1, 2004, Luxembourg. Luxembourg City:Office for Official Publications of the European Communities. PNWD-SA-6351.

2003

  • Bacon D.H., and B.P. McGrail. 2003. "Lessons Learned From Reactive Transport Modeling of a Low-Activity Waste Glass Disposal System." Computers & Geosciences 29, no. 2003:361-370. PNNL-SA-36368.
  • Bacon D.H., and B.P. McGrail. 2003. "Waste Form Release Calculations for Performance Assessment of the Hanford Immobilized Low-Activity Waste Disposal Facility Using a Parallel, Coupled Unsaturated Flow and Reactive Transport Simulator." In 26th Materials Research Society Symposium Proceedings, edited by Robert J. Finch and Daniel B. Bullen, 757, 43-48. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-38386.
  • Bacon D.H., M.I. Ojovan, B.P. McGrail, N. Ojovan, and I.V. Startsceva. 2003. "Vitrified Waste Corrosion Rates From Field Experiment and Reactive Transport Modeling." In 9th International Conference on Radioactive Waste Management and Environmental Remediation, edited by Gary Benda and Fred Sheil, 2, 803-809. Oxford, England:American Society of Mechanical Engineers. PNNL-SA-39121.
  • Icenhower J.P., A. Luttge, B.P. McGrail, M.S. Beig, R.S. Arvidson, E.A. Cordova, and J.L. Steele, et al. 2003. "Results of Vertical Scanning Interferometry (VSI) of Dissolved Borosilicate Glass: Evidence for Variable Surface Features and Global Surface Retreat." In Scientific Basis for Nuclear Waste Mangement XXVI: symposium held December 2-5, 2002, Boston, Massachusetts, U.S.A. Materials Research Society Symposium Proceedings, edited by Robert J. Finch; Daniel B. Bullen, 757, 119-126. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-43471.
  • Icenhower J.P., W.J. Weber, N.J. Hess, S. Thevuthasan, B.D. Begg, B.P. McGrail, and E.A. Cordova, et al. 2003. "Experimental Determination of Dissolution Kinetics of Zr-Substituted Gd-Ti Pyrochlore Ceramics: Influence of Chemistry on Corrosion Resistance." In Scientific Basis for Nuclear Waste Management XXVI, Materials Research Society Symposium Proceedings, edited by RJ Finch and DB Bullen, 757, 227-234, paper no. II6.1. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-38707.
  • McGrail B.P., A.M. Ho, S.P. Reidel, and H.T. Schaef. 2003. "Use and Features of Basalt Formations for Geologic Sequestration." In Greenhouse Gas Control Technologies: Proceedings of the 6th International Conference on Greenhouse Gas Control Technologies, October 1-4, 2002, Kyoto, Japan, edited by J Gale and Y Kaya, II, 1637-1640. Amsterdam:Pergamon. PNNL-SA-37182.
  • McGrail B.P., D.H. Bacon, P.D. Meyer, M.I. Ojovan, D.M. Strachan, N. Ojovan, and I.V. Startsceva. 2003. "New Developments in Field Studies of Low Activity Waste Glass Corrosion and Contaminant Transport." In Scientific Basis for Nuclear Waste Management XXVI: Materials Research Society Symposim Proceedings, edited by RJ Finch and DB Bullen, 757, Paper No. 112.1. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-37761.
  • McGrail B.P., D.H. Bacon, R.J. Serne, and E.M. Pierce. 2003. A Strategy to Assess Performance of Selected Low-Activity Waste Forms in an Integrated Disposal Facility. PNNL-14362. Richland, WA: Pacific Northwest National Laboratory.
  • McGrail B.P., E.M. Pierce, H.T. Schaef, E.A. Rodriguez, J.L. Steele, A.T. Owen, and D.M. Wellman. 2003. Laboratory Testing of Bulk Vitrified and Steam Reformed Low-Activity Waste Forms to Support A Preliminary Risk Assessment for an Integrated Disposal Facility. PNNL-14414. Richland, WA: Pacific Northwest National Laboratory.
  • White M.D., and B.P. McGrail. 2003. "Numerical Investigations of Multifluid Hydrodynamics During Injection of Supercritical CO2 into Porous Media." In 6th International Conference on Greenhouse Gas Control Technologies (GHGT-6), 30th September-4th October, 2002, edited by J. Gale and Y. Kaya, I, 449-456. Oxford:Pergamon. PNNL-SA-36914.

2002

  • Bacon D.H., and B.P. McGrail. 2002. Effect of Design Changes On Remote Handled Trench Waste Form Release Calculations. PNNL-13947. Richland, WA: Pacific Northwest National Laboratory.
  • Bacon D.H., B.P. McGrail, V.L. Freedman, G. Ventura, P.N. Risoluti, and K.M. Krupka. 2002. "Performance Assessment of Low-Level Waste Disposal Facilities Using Coupled Unsaturated Flow and Reactive Transport Simulators." In Scientific basis for nuclear waste management XXV : symposium held November 26-29, 2001, Boston, Massachusetts; Materials Research Society symposium proceedings, edited by McGrail, B. P.; Cragnolino, G. A., 713, 267-274. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-35913.
  • Bredt P.R., C.C. Ainsworth, F.J. Brockman, D.M. Camaioni, O.B. Egorov, A.R. Felmy, and Y.A. Gorby, et al. 2002. Science to Support DOE Site Cleanup: The Pacific Northwest National Laboratory Environmental Management Science Program Awards -- Fiscal Year 2002 Mid-Year Progress Report. PNNL-13928. Richland, WA: Pacific Northwest National Laboratory.
  • Icenhower J.P., B.P. McGrail, D.M. Strachan, R.D. Scheele, V.L. Legore, E.A. Cordova, and J.L. Steele, et al. 2002. "Experimental Determination of the Dissolution Kinetics of Plutonium- and Uranium-Bearing Ceramics at 90 degrees C." In Scientific Basis for Nuclear Waste Management XXV, Materials Research Society Symposium Proceedings, edited by B.P. McGrail and G.A. Cragnolino, 713, 433-440 paper no. JJ11.38. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31781.
  • Icenhower J.P., B.P. McGrail, W.J. Weber, B.D. Begg, N.J. Hess, E.A. Cordova, and J.L. Steele, et al. 2002. "Dissolution of A2Ti2O7 (A = Y3?, Gd3?, or Lu3?) Pyrochlore by Experiment at pH = 2, T = 90 C: Evidence for Solubility Control Using a Linear Free Energy Model." In Scientific Basis for Nuclear Waste Management XXV, Materials Research Society Symposium Proceedings, edited by BP McGrail and GA Cragnolino, 713, 397-403 paper no. JJ6.2. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-36247.
  • Mattigod S.V., R.J. Serne, B.P. McGrail, and V.L. Legore. 2002. "Radionuclide Incorporation in Secondary Crystalline Minerals from Chemical Weathering of Waste Glasses." In MRS Symposium, 713, 597-606. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31843.
  • McGrail B.P., J.P. Icenhower, and E.A. Cordova. 2002. "Origins of Discrepancies Between Kinetic Rate Law Theory and Experiments in the Na2O-B2O3-SiO2 System." In Scientific basis for nuclear waste management XXV: Symposium held November 26-29, 2001, Boston, Massachusetts, USA, edited by McGrail, B.P. and Cragnolino, G. A., 713, 537-546. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-37364.
  • Saripalli K.P., R.J. Serne, P.D. Meyer, and B.P. McGrail. 2002. "Prediction of Diffusion Coefficients in Porous Media using Tortuosity Factors Based on Interfacial Areas." Ground Water 40, no. 4:346-352. PNNL-SA-31742.
  • Saripalli P., and B.P. McGrail. 2002. "Semi-analytical approaches to modeling deep well injection of CO2 for geological sequestration." Energy Conversion and Management 43, no. 2:185-198. PNNL-SA-31682.
  • Saripalli P., B.P. McGrail, and D.C. Girvin. 2002. "Adsorption of molybdenum on to anatase from dilute aqueous solutions." Applied Geochemistry 17, no. 5:649-656. PNNL-SA-31683.
  • Shutthanandan V., D.R. Baer, S. Thevuthasan, E.M. Adams, S. Maheswaran, M.H. Engelhard, and J.P. Icenhower, et al. 2002. "High Energy Ion Beam Studies of Ion Exchange in a Na2O-Al2O3-SiO2 Glass." Journal of Applied Physics 91, no. 4:1910-1920. PNNL-SA-33200.

2001

  • Bacon D.H., and B.P. McGrail. 2001. Waste Form Release Calculations for the 2001 Immobilized Low-Activity Waste Performance Assessment. PNNL-13369. Richland, WA: Pacific Northwest National Laboratory.
  • Begg B.D., N.J. Hess, W.J. Weber, R. Devanathan, J.P. Icenhower, S. Thevuthasan, and B.P. McGrail. 2001. "Heavy-Ion Irradiation Effects on Structures and Acid Dissolution of Pyrochlores." Journal of Nuclear Materials 288, no. 2-3:208-216. PNNL-SA-32958.
  • McGrail B.P. 2001. "Inverse Reactive Transport Simulator (Inverts): An Inverse Model for Contaminant Transport with Nonlinear Adsorption and Source Terms." Environmental Modelling & Software, with Environmental Data News 16, no. 8:711-723. PNNL-SA-31267.
  • McGrail B.P., D.H. Bacon, J.P. Icenhower, F.M. Mann, R.J. Puigh, H.T. Schaef, and S.V. Mattigod. 2001. "Near-Field Performance Assessment for a Low-Activity Waste Glass Disposal System: Laboratory Testing to Modeling Results." Journal of Nuclear Materials 298, no. 1-2:95-111. PNNL-SA-35379.
  • McGrail B.P., J.P. Icenhower, D.K. Shuh, P. Liu, J.G. Darab, D.R. Baer, and S. Thevuthasan, et al. 2001. "The Structure of Na2O-Al2O3-SiO2 Glass: Impact on Sodium Ion Exchange in H2O and D2O." Journal of Non-crystalline Solids 296. PNNL-SA-33877.
  • McGrail B.P., J.P. Icenhower, P.F. Martin, H.T. Schaef, M.J. O'Hara, E. Rodriguez, and J.L. Steele. 2001. Waste Form Release Data Package for the 2001 Immobilized Low-Activity Waste Performance Assessment. PNNL-13043 Rev.2. Richland, WA: Pacific Northwest National Laboratory.
  • McGrail B.P., P.F. Martin, K. Saripalli, S.L. Bryant, and B.M. Sass. 2001. "Use of Forced Mineral Trapping for Sequestration of CO2." In First National Conference on Carbon Sequestration. Morgantown, West Virginia:National Energy Technology Laboratory. PNNL-SA-35859.
  • Meyer P.D., B.P. McGrail, and D.H. Bacon. 2001. Test Plan for Field Experiments to Support the Immobilized Low-Activity Waste Disposal Performance Assessment at the Hanford Site. PNNL-13670. Richland, WA: Pacific Northwest National Laboratory.
  • Nozaki A., B.P. McGrail, M.J. Fayer, and K. Saripalli. 2001. "A Coupled Mechanical-Chemical Stability Analysis for a Low Activity Waste Disposal Facility at the Hanford Site." Computers & Structures 79, no. 16:1503-1516. PNWD-SA-5281.
  • Rai D., Y. Xia, N.J. Hess, D.M. Strachan, and B.P. McGrail. 2001. "Hydroxo and Chloro Complexes/Ion-Interactions of Hf4+ and the Solubility Product of HfO2(am)." Journal of Solution Chemistry 30, no. 11:949-967. PNNL-SA-33525.
  • Shutthanandan V., S. Thevuthasan, D.R. Baer, E.M. Adams, S. Maheswaran, M.H. Engelhard, and J.P. Icenhower, et al. 2001. "Investigation of Alkali Ion Exchange Processes in Waste Glasses Using Rutherford Backscattering Spectrometry and Nuclear Reaction Analysis." In Applications of Accelerators in Research and Industry: sixteenth international conference, Denton, Texas, 1-5 November 2000, AIP Conference Proceedings, edited by J. L. Duggan and I.L. Morgan, 576, 454-457. New York, New York:American Institute of Physics. PNNL-SA-34289.

2000

  • Abraitis P.K., B.P. McGrail, D.P. Trivedi, F.R. Livens, and D.J. Vaughan. 2000. "Single-pass flow-through experiments on a simulated waste glass in alkaline media at 40 degrees C. I. Experiments conducted at variable solution flow rate to glass surface area ratio." Journal of Nuclear Materials 280, no. 2:196-205. PNNL-SA-31649.
  • Abraitis P.K., B.P. McGrail, D.P. Trivedi, F.R. Livens, and D.J. Vaughan. 2000. "Single-pass flow-through experiments on a simulated waste glass in alkaline media at 40 degrees C. II. Experiments conducted with buffer solutions containing controlled quantities of Si and Al." Journal of Nuclear Materials 280, no. 2:206-215. PNNL-SA-31650.
  • Bacon D.H., M.D. White, and B.P. McGrail. 2000. Subsurface Transport Over Reactive Multiphases (STORM): A General, Coupled, Nonisothermal Multiphase Flow, Reactive Transport, and Porous Medium Alteration Simulator, Version 2, User's Guide. PNNL-13108. Richland, WA: Pacific Northwest National Laboratory.
  • Begg B.D., W.J. Weber, R. Devanathan, J.P. Icenhower, S. Thevuthasan, and B.P. McGrail. 2000. "Heavy-Ion Irradiation Effects in Pyrochlores." In Environmental Issues and Waste Management Technologies in the Ceramic and Nuclear Industries V, Ceramic Transactions, edited by G.T. Chandler and X. Feng, 107, 553-560. Westerville, Ohio:The American Ceramic Society. PNNL-SA-31013.
  • Icenhower J.P., B.P. McGrail, H.T. Schaef, and E.A. Cordova. 2000. "Dissolution Kinetics of Titanium Pyrochlore Ceramics at 90?C by Single-Pass Flow-Through Experiments." In Scientific Basis for Nuclear Waste Management XXIII, edited by R.W. Smith and D.W. Shoesmith, 23, 373-378. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31804.
  • McGrail B.P., J.P. Icenhower, P.F. Martin, D.R. Rector, H.T. Schaef, E.A. Rodriguez, and J.L. Steele. 2000. Low-Activity Waste Glass Studies: FY2000 Summary Report. PNNL-13381. Richland, WA: Pacific Northwest National Laboratory.
  • McGrail B.P., P.F. Martin, H.T. Schaef, C.W. Lindenmeier, and A.T. Owen. 2000. "Glass/Ceramic Interactions in the Can-In-Canister Configuration for Disposal of Excess Weapons Plutonium." In Scientific Basis for Nuclear Waste Management XXIII, Symposium, 29 Nov.-2 Dec.1999, Boston, MA, USA. Mat. Res. Soc. Symp. Proc., 608, 345-352. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31745.
  • Vienna J.D., A. Jiricka, B.P. McGrail, B.M. Jorgensen, D.E. Smith, B.R. Allen, and J.C. Marra, et al. 2000. Hanford Immobilized LAW Product Acceptance: Initial Tanks Focus Area Testing Data Package. PNNL-13101. Richland, WA: Pacific Northwest National Laboratory.
  • Weber W.J., L. Corrales, N.J. Ness, R.E. Williford, H.L. Heinisch, S. Thevuthasan, and J.P. Icenhower, et al. 2000. Radiation Effects in Nuclear Waste Materials. PNNL-13345. Richland, WA: Pacific Northwest National Laboratory.
  • White M.D., and B.P. McGrail. 2000. "Designing a Pilot-Scale Experiment for the Production of Natural Gas Hydrates and Sequestration of CO2 in Class 1 Hydrate Accumulations." In Greenhouse Gas Control Technologies 9, Proceedings of the 9th International Conference on Greenhouse Gas Control Technologies (GHGT-9), November 16-20 2008, Washington DC. Energy Procedia, 1, 3099-3106. Oxford:Elsevier. PNWD-SA-8374. doi:10.1016/j.egypro.2009.02.090

1999

  • Abraitis P.K., B.P. McGrail, and D.P. Trivedi. 1999. "The Effects of Silicic Acid, Aluminate Ion Activity and Hydrosilicate Gel Development on the Dissolution Rate of a Simulated British Magnox Waste Glass." In Scientific Basis for Nuclear Waste Management XXII, Mat. Res. Soc. Symp. Proc. Symposium held Nov. 30-Dec. 4, 1998, Boston, MA., edited by David J. Wronkiewicz; Joon H. Lee, 556, 401-408. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31747.
  • Darab J.G., J.C. Linehan, and B.P. McGrail. 1999. "NMR characterization of simulated Hanford low-activity waste glasses and its use in understanding waste form chemical durability." In Scientific Basis For Nuclear Waste Management XXII, Materials Research Society Symposium Procedings, 556, 337-344. Warrendale, :Materials Research Society. PNNL-SA-31651.
  • Mattigod S.V., and B.P. McGrail. 1999. "Estimating the standard free energy of formation of zeolites using the polymer model." Microporous and Mesoporous Materials 27, no. 1:41-47. PNNL-SA-31645.
  • McGrail B.P., C.W. Lindenmeier, and P.F. Martin. 1999. "Characterization of pore structure and hydraulic property alteration in pressurized unsaturated flow tests." In Scientific Basis For Nuclear Waste Management XXII, Materials Research Society Symosium Proceedings, 556, 421-428. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31652.
  • McGrail B.P., P.F. Martin, C.W. Lindenmeier, and H.T. Schaef. 1999. "Application of the Pressurised Unsaturated Flow (PUF) Test for Accelerated Ageing of Waste Forms." In Ageing Studies and Lifetime Extension of Materials, Proceedings of the First International Conference on Ageing Studies and Lifetime Extension of Materials, edited by Leslie G. Mallinson, 313-320. New York, New York:Kluwer Academic/Plenum Publishers. PNNL-SA-31746.

1998

  • McGrail B.P., W.L. Ebert, D.H. Bacon, and D.M. Strachan. 1998. A Strategy to Conduct an Analysis of the Long-Term Performance of Low-Activity Waste Glass in a Shallow Subsurface Disposal System at Hanford. PNNL-11834. Richland, WA: Pacific Northwest National Laboratory.

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