Laboratory Fellow
Energy and Environment Directorate
Laboratory Fellow
Energy and Environment Directorate


Dr. McGrail has been a staff member at PNNL for over 37 years and has attained the position of Laboratory Fellow, the highest level of scientific achievement recognized at the laboratory. He recently completed a four-year tenure as Team Lead of the Applied Functional Materials group at PNNL and is the principal investigator of a diverse range of projects involving chemical reaction, mass and heat transport processes in porous and nanostructured media. Dr. McGrail spent the first half of his career addressing basic science questions associated with nuclear waste materials, work that often took him to Europe and Japan and even prompted a three year marginally successful study of the Japanese language. He transitioned his research in the late 1990s towards other areas including greenhouse gas emission management, which grew to cover diverse subjects from hydrodynamics and chemistry of supercritical CO2–brine mixtures to development of new metal-organic sorbents for CO2 capture from fossil–fuel power plants, work that was featured in Nature Materials. He pioneered work at PNNL on geological storage of CO2, publishing a substantial body of work investigating conversion of CO2 to stable carbonate minerals. Those ideas were put to practical test in 2013 by completing the world’s first supercritical CO2 injection (1000 MT) into a basalt formation located in southeastern Washington State. He received the 2014 Laboratory Director’s Award for Exceptional Engineering Achievement for this work. Dr. McGrail also is conducting research on gas hydrates, an ice–like solid clathrate containing methane. He has teamed with researchers from the University of Alaska and British Petroleum to study advanced production concepts he and colleagues developed, including one that involves a “guest-molecule swap” reaction where CO2 replaces CH4 in the hydrate structure. Very recently, Dr. McGrail extended this long-term interest in gas hydrates to development of a new method for seawater desalination using his patented thermal compression/cooling technology.

Dr. McGrail and his team have developed a series of novel and transformational applications of metal-organic framework (MOF) nanomaterials for chemical separations, heat pumps, nanofluids, and subsurface imaging. He has received four research grant awards from the DOE agency ARPA-E on this work, more than any other researcher in the U.S., and completed the world’s first MOF-charged adsorption chiller that went operational in the summer of 2013. He received a 2017 R&D 100 Award for this cooling technology called MARCool that runs off any low-grade heat source. He discovered the unusual thermodynamic properties of metal-organic heat carriers (MOHCs), which led to current work to develop these nanomaterials for enhanced geothermal heat recovery. A combined cooling and power generation offshoot of that technology using a new non-condensing thermodynamic cycle can produce 40% more power as compared with standard Rankine cycle systems. He received the 2016 Energy Innovation Award at the Energy Futures Conference (Australia) on this technology. Dr. McGrail is working with several private companies to commercialize his magnetic core-shell nano-sorbent technology for the extraction of valuable minerals from geothermal brines and other large volume produced water sources. In 2019, he was awarded a Technology Commercialization Fund grant in collaboration with Geo40 Limited (New Zealand) to adapt the technology for extraction of Cs from geothermal brines produced at the Taupo geothermal facility. Finally, in 2018, he led development of a multi-national laboratory Big Idea called HEATER (High Efficiency Advanced Thermal Energy Research), which is currently completing an R&D Roadmap designed to reduce total thermal energy losses across the U.S. energy system by 6 Quads. One offshoot of this work has led to invention of a new heat exchanger technology called STERADIAN (Selective Thermal Emission and Radiation in Annuli). The technology introduces new photonic metamaterial coatings that enhance radiative heat transfer in heat exchangers and can reduce their size by up to 20%. He has secured over half million dollars in research grant awards from DOE’s Office of Fossil Energy and Solar Energy Technologies Office to advance this technology. He has 15 patents and over 300 publications and presentations at international conferences on his research.

Research Interest

  • Carbon Management and Climate Change
  • Geologic Storage of CO2 in Basalts
  • Acoustic Contrast Agents (Metamaterials) for Enhanced Subsurface Imaging
  • Gas Hydrates
  • Geochemical Modeling
  • Numerical Modeling of Fluid, Heat and Mass Transfer Processes
  • Novel combined cooling, heat, and power generation cycles
  • Extraction of REEs, Li, And Other Critical Materials from Geothermal Brines and Other Produced Waters
  • Novel Desalination and Atmospheric Water Extraction Technologies
  • Direct Air Capture of CO2
  • Development of Novel Selective Thermal Emission Coatings for Heat Exchangers and Turbine Engines


  • 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
  • Keynote Speaker, Goldschmidt 2012 Conference, Montreal, Canada, June 26, 2012.
  • Keynote Speaker, Asia Pacific Coal Bed Methane Symposium, Brisbane, Australia, May 5, 2011.
  • Technology Spotlight Speaker, ARPA-E Energy Innovation Summit, Washington, DC, March 2, 2011.
  • Executive Director, 34th Course of the International School of Geophysics, “Densely Populated Settings: The Challenge of Siting Geological Facilities for Deep Geothermics, CO2 and Natural Gas Storage, and Radioactive Waste Disposal,” Erice, Italy, September 25-30, 2010
  • Session Chair, 9th International Conference on Greenhouse Gas Control Technologies, Washington, D.C., Nov. 16-21, 2008.
  • Session Chair, International Workshop on R&D Challenges in Carbon Capture and Storage Technology for Sustainable Energy Future, India, Jan. 12–13, 2007.
  • Co-Chairman, Symposium on Gas Hydrates and Clathrates, The 229th ACS National Meeting, San Diego, CA, March 13-17, 2005.
  • Materials Research Society
  • American Ceramic Society
  • American Geophysical Union
  • Symposium Chairman, Materials Research Society Conference, Boston, MA, November 26-29, 2001.
  • Book Editor and Symposium Chairman, Scientific Basis for Nuclear Waste Management XXV, Materials Research Society, November 26-30, 2001. Boston, Massachusetts
  • 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

Awards and Recognitions

  • R&D 100 Award, Multibed Adsorption Recuperative Cooling (MARCool) System, 2017
  • Energy Innovation Award, Future Energy Conference, Sydney, Australia, 2016
  • Exceptional Engineering Achievement Award, Laboratory Director’s Award, Pacific Northwest National Laboratory, 2014
  • Frank Kottlowski Memorial Best Paper Award, “Geologic Sequestration of CO2 in Basalt Formations,” American Association of Petroleum Geologists, June 8, 2004.
  • Best Paper Award, “The Pressurized Unsaturated Flow (PUF) Test: A New Method for Engineered Barrier Materials Evaluation,” American Ceramic Society, 1996.
  • Outstanding Speaker Award, American Society of Metals, Puget Sound Chapter, 1987.


  • U.S. Patent No. 11,255,220, February 22, 2022, "Heating Assemblies, Heat Exchange Assemblies, Methods for Providing and/or Exchanging Heat, Turbine Combustion Engines and Methods for Powering Turbine Combustion Engines".
  • U.S. Patent No. 10,695,741, June 30, 2020, "System and Process for Continuous and Controlled Production of Metal-Organic Frameworks and Metal-Organic Framework Composites".
  • McGrail, B. P., J. J. Jenks, and B. E. Bernacki. 2019. Heat Exchange Assemblies, and Methods for Exchanging and Transferring Heat with Enhanced Thermal Radiation, Provisional Patent Application No. 62/909,435, Battelle Memorial Institute, USA
  • McGrail, B.P., J.J. Jenks, and R.K. Motkuri. 2019. Zero Energy Penalty Dehumidification System, U.S. Patent Application No. 62/887,950, Battelle Memorial Institute, USA.
  • Liu, J., B. P. McGrail, S. K. Nune, M. A. Sinnwell, and P. K. Thallapally. 2019. Polymer-Functionalized Magnetic Particles for Analyte Isolation, Methods of Making the Same, and Devices and Systems for Using the Same, Provisional Patent Application No. 62/857631, Battelle Memorial Institute, USA.
  • Kunapuli, R. P., D. Banerjee, P. K. Thallapally, M. A. Sinnwell, and B. P. McGrail. 2019. Metal-Organic Framework (MOF) Materials for Superior Refrigerant Drying Performance, Patent Application No. 62/893,421, Parker-Hannifin Corporation and Battelle Memorial Institute, USA.
  • Kunapuli, R. P., P. K. Thallapally, B. P. McGrail, D. Zhiqun, J. Liu, H. Li, J. Lu, D. Banerjee. 2019. Surface Acoustic Wave Sensor for Refrigerant Leakage Detection, Patent Application No. 62/894,348, Parker-Hannifin Corporation and Battelle Memorial Institute, USA.
  • McGrail, B. P., S. K. Nune, and J. J. Jenks. 2018. Microfluidic Desalination Using Gas Hydrates. Patent Application No. 31306-E, Battelle Memorial Institute, USA.
  • McGrail, B. P., S. K. Nune, K. W. Jung, G. V. Pattarkine, M. S. Urso, P. Mayer, and Z. Shi.  2018.  Sound Attenuation Using Metal-Organic Framework Materials.  Patent Application No. 20180330709, Battelle Memorial Institute and CertainTeed Gypsum, Inc., USA.
  • Fernandez, C. A., E. Polikarpov, A. J. Karkamkar, G. W. Coffey, S. K. Nune, P. K. Koech, B. P. McGrail, and J. A. Roberts.  2018.  Compositions and Methods for Polarization-Switched, Solid-State Molecular Pumping.  Patent Application No. 62/581,327, USA.
  • Motkuri, R. K., J. R. Bontha, and B. P. McGrail.  2018.  System and Process for Continuous and Controlled Production of Metal-Organic Frameworks and Metal-Organic Framework Composites.  Patent Application No. 20170361300, Battelle Memorial Institute, USA.
  • McGrail, B. P., R. K. Motkuri, J. J. Jenks, P. Roege, and W. P. Abrams.  2017.  Harmonic Adsorption Recuperative Power Systems and Methods.  Patent No. 10240486, USA.
  • McGrail, B. P., S. K. Nune, R. K. Motkuri, C. A. Fernandez, and P. K. Thallapally.  2015.  Catalyzed Organo-Metathetical (COMET) Process for Magnesium Production from Seawater.  Patent No. 9,499,880, Pacific Northwest National Laboratory, United States.
  • McGrail, B. P., P. K. Thallapally, C. A. Bertelo, and G. S. Silverman.  2019.  Adsorption Systems Using Metal-Organic Frameworks.  Patent No. 10,266,737, USA.
  • Schaef, H. T. and B. P. McGrail.  2015.  Downhole Fluid Injection Systems, CO2 Sequestration Methods, and Hydrocarbon Material Recovery Methods.  Patent No. 9,091,156, Battelle Memorial Institute, USA.
  • McGrail, B. P., P. K. Thallapally, and W. Xu.  2011.  Methods for Associating or Dissociating Guest Materials with a Metal Organic Framework, Systems for Associating or Dissociating Guest Materials within a Series of Metal Organic Frameworks, and Gas Separation Assemblies.  Patent No. 8,425,662, 8,795,412, 9,115,435, 9,403,686 USA.
  • McGrail, B. P., P. F. Martin, and C. W. Lindenmeier.  1999. Method and Apparatus for Measuring Coupled Flow, Transport, and Reaction Processes Under Liquid Unsaturated Flow Conditions.  U.S. Patent No. 5,974,859.



  • Liu J., P.F. Martin, and B.P. McGrail. 2021. "Rare-Earth Element Extraction from Geothermal Brine Using Magnetic Core-Shell Nanoparticles-Techno-Economic Analysis." Geothermics 89. PNNL-SA-140837. doi:10.1016/j.geothermics.2020.101938
  • Loring J.S., O. Qafoku, C.J. Thompson, A.S. Mcneill, M. Vasiliu, D.A. Dixon, and Q. Miller, et al. 2021. "Synergistic Coupling of CO2 and H2O during Expansion of Clays in Supercritical CO2-CH4 Fluid Mixtures." Environmental Science & Technology 55, no. 16:11192-11203. PNNL-SA-143713. doi:10.1021/acs.est.1c00275
  • McGrail B.P. 2021. A Combined Water and CO2 Direct Air Capture System - CRADA 521. PNNL-SA-161144. Richland, WA: Pacific Northwest National Laboratory.
  • McGrail B.P. 2021. Extending Magnetic Core Shell Nanoparticle Extraction Technology to Cesium and Antimony Removal from Geothermal Brines in New Zealand - CRADA 440. PNNL-SA-159606. Richland, WA: Pacific Northwest National Laboratory.
  • McGrail B.P. 2021. Magnetic Nanoparticle Extraction of Lithium from Produced Waters - CRADA 483. PNNL-SA-166046. Richland, WA: Pacific Northwest National Laboratory. Magnetic Nanoparticle Extraction of Lithium from Produced Waters - CRADA 483
  • Shen J., L. Estevez, D. Barpaga, J. Zheng, V. Shutthanandan, B.P. McGrail, and R.K. Motkuri. 2021. "Structure-Property Correlation of Hierarchically Porous Carbons for Fluorocarbon Adsorption." ACS Applied Materials & Interfaces 13, no. 45:54266 - 54273. PNNL-SA-165898. doi:10.1021/acsami.1c16315
  • Zheng J., M. Wahiduzzaman, D. Barpaga, B.A. Trump, O.Y. Gutierrez-Tinoco, P.K. Thallapally, and S. Ma, et al. 2021. "Porous Covalent Organic Polymers for efficient Fluorocarbon-based Adsorption Cooling." Angewandte Chemie International Edition 60, no. 33:18037-18043. PNNL-SA-153417. doi:10.1002/anie.202102337


  • Barpaga D., M. Shetty, J. Zheng, H. Wang, B.P. McGrail, and R.K. Motkuri. 2020. "Transition-Metal Nitroprussides Examined for Water Harvesting and Sorption Cooling." Inorganic Chemistry 59, no. 21:15620-15625. PNNL-SA-154900. doi:10.1021/acs.inorgchem.0c01740
  • Cheng Y., D. Barpaga, J.A. Soltis, V. Shutthanandan, R. Kargupta, K. Han, and B.P. McGrail, et al. 2020. "Metal-Organic Framework-Based Microfluidic Impedance Sensor Platform for Ultrasensitive Detection of Perfluorooctanesulfonate." ACS Applied Materials & Interfaces 12, no. 9:10503-10514. PNNL-SA-141266. doi:10.1021/acsami.9b22445
  • McGrail B.P., M.D. White, S.K. White, J. Liu, S.K. Nune, and J. Jenks. 2020. Thermocatalytic Heat Pipes for Geothermal Resource Recovery. PNNL-31038. Richland, WA: Pacific Northwest National Laboratory. Thermocatalytic Heat Pipes for Geothermal Resource Recovery
  • Miller Q., J. Kaszuba, S.N. Kerisit, H.T. Schaef, M.E. Bowden, B.P. McGrail, and K.M. Rosso. 2020. "Emerging Investigator Series: Ion Diffusivities in Nanoconfined Interfacial Water Films Contribute to Mineral Carbonation Thresholds." Environmental Science Nano 7, no. 4:1068-1081. PNNL-SA-149770. doi:10.1039/c9en01382b
  • Sabale S.R., D. Barpaga, J. Yao, L. Kovarik, Z. Zhu, S. Chatterjee, and B.P. McGrail, et al. 2020. "Understanding Time Dependence on Zinc Metal-Organic Framework Growth Using In Situ Liquid Secondary Ion Mass Spectrometry." ACS Applied Materials & Interfaces 12, no. 4:5090-5098. PNNL-SA-148177. doi:10.1021/acsami.9b19991
  • White S.K., F.A. Spane, H.T. Schaef, Q. Miller, M.D. White, J.A. Horner, and B.P. McGrail. 2020. "Quantification of CO2 Mineralization at the Wallula Basalt Pilot Project." Environmental Science & Technology 54, no. 22:14609-14616. PNNL-SA-151577. doi:10.1021/acs.est.0c05142
  • Zheng J., D. Barpaga, B.A. Trump, M. Shetty, Y. Fan, P. Bhattacharya, and J. Jenks, et al. 2020. "Molecular Insight into Fluorocarbon Adsorption in Pore Expanded Metal-Organic Framework Analogs." Journal of the American Chemical Society 142, no. 6:3002-3012. PNNL-SA-145757. doi:10.1021/jacs.9b11963


  • Barpaga D., J. Zheng, K. Han, J.A. Soltis, V. Shutthanandan, S. Basuray, and B.P. McGrail, et al. 2019. "Probing the Sorption of Perfluorooctanesulfonate using Mesoporous Metal-Organic Frameworks from Aqueous Solutions." Inorganic Chemistry 58, no. 13:8339-8346. PNNL-SA-140984. doi:10.1021/acs.inorgchem.9b00380
  • Barpaga D., V.T. Nguyen, B.K. Medasani, S. Chatterjee, B.P. McGrail, R.K. Motkuri, and L.X. Dang. 2019. "Insight into Fluorocarbon Adsorption in Metal-Organic Frameworks via Experiments and Molecular Simulations." Scientific Reports 9, no. 1: Article Number 10289. PNNL-SA-140049. doi:10.1038/s41598-019-46269-7
  • Bowers G.M., H.T. Schaef, Q. Miller, E.D. Walter, S.D. Burton, D.W. Hoyt, and J.A. Horner, et al. 2019. "13C Nuclear Magnetic Resonance Spectroscopy of Methane and Carbon Dioxide in a Natural Shale." ACS Earth and Space Chemistry 3, no. 3:324-328. PNNL-SA-140683. doi:10.1021/acsearthspacechem.8b00214
  • Hochella M.F., D. Mogk, J. Ranville, I. Allen, G. Luther, L. Marr, and B.P. McGrail, et al. 2019. "Natural, incidental, and engineered nanomaterials and their impacts on the Earth system." Science 363, no. 6434: Article number eaau8299. PNNL-SA-138605. doi:10.1126/science.aau8299
  • Jenks J., B.P. McGrail, R.K. Motkuri, N. Phillips, and P. Porter. 2019. "Grid Adaptive Harmonic Adsorption Recuperative Power and Cooling System." In PROCEEDINGS, 44th Workshop on Geothermal Reservoir Engineering Stanford University, Stanford, California, February 11-13, 2019, SGP-TR-214. PNNL-SA-141112.
  • Lee M., V. Glezakou, R.J. Rousseau, and B.P. McGrail. 2019. "Molecular simulation of the catalytic regeneration of nBuLi through a hydrometallation route." Inorganic Chemistry 58, no. 5:3033-3040. PNNL-SA-138686. doi:10.1021/acs.inorgchem.8b02910
  • Miller Q., H.T. Schaef, J. Kaszuba, G. Gadikota, B.P. McGrail, and K.M. Rosso. 2019. "Quantitative Review of Olivine Carbonation Kinetics: Reactivity Trends, Mechanistic Insights, and Research Frontiers." Environmental Science & Technology Letters 6, no. 8:431-442. PNNL-SA-143712. doi:10.1021/acs.estlett.9b00301
  • Miller Q., H.T. Schaef, S.K. Nune, K. Jung, J.A. Burghardt, P.F. Martin, and M.S. Prowant, et al. 2019. "Geophysical Monitoring with Seismic Metamaterial Contrast Agents." In Unconventional Resources Technology Conference (URTeC 2019), July 22-24, 2019, Denver, CO, Paper No 1123. Richardson, Texas:Society of Petroleum Engineers. PNNL-SA-148890. doi:10.15530/urtec-2019-1123
  • Miller Q., J. Kaszuba, H.T. Schaef, M.E. Bowden, B.P. McGrail, and K.M. Rosso. 2019. "Anomalously low activation energy of nanoconfined MgCO3 precipitation." Chemical Communications 55, no. 48:6835-6837. PNNL-SA-141004. doi:10.1039/c9cc01337g
  • Nune S.K., D. Lao, M.E. Bowden, H.T. Schaef, V.S. Vemuri, R.K. Motkuri, and B.P. McGrail. 2019. "Investigation of Reactive Intermediates During the Synthesis of Di-n-butylmagnesium." Inorganica Chimica Acta 489. PNNL-SA-119108. doi:10.1016/j.ica.2019.01.035
  • Polikarpov E., C.A. Fernandez, G.W. Coffey, S.K. Nune, A.J. Karkamkar, B.J. Garcia, and T.L. Lemmon, et al. 2019. "Toward Polarization-Switched Molecular Pumps." ACS Applied Energy Materials 2, no. 6:4092-4097. PNNL-SA-138089. doi:10.1021/acsaem.9b00252


  • Bower J.K., D. Barpaga, S. Prodinger, R. Krishna, H.T. Schaef, B.P. McGrail, and M.A. Derewinski, et al. 2018. "Dynamic adsorption of CO2/N2 on cation-exchanged chabazite SSZ-13: A breakthrough analysis." ACS Applied Materials & Interfaces 10, no. 17:14287-14291. PNNL-SA-133039. doi:10.1021/acsami.8b03848
  • Elsaidi S.K., M.A. Sinnwell, A. Devaraj, T.C. Droubay, Z. Nie, V. Murugesan, and B.P. McGrail, et al. 2018. "Extraction of Rare Earth Elements using Magnetite@MOF Composites." Journal of Materials Chemistry A 6, no. 38:18438-18443. PNNL-SA-136516. doi:10.1039/c8ta04750b
  • 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
  • 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
  • Miller Q., S.K. Nune, H.T. Schaef, K. Jung, K.M. Denslow, M.S. Prowant, and P.F. Martin, et al. 2018. "Microporous and Flexible Framework Acoustic Metamaterials for Sound Attenuation and Contrast Agent Applications." ACS Applied Materials & Interfaces 10, no. 51:44226-44230. PNNL-SA-139317. doi:10.1021/acsami.8b19249
  • 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
  • Sivanantham A., P. Ganesan, L. Estevez, B.P. McGrail, R.K. Motkuri, and S. Shanmugam. 2018. "A Stable Graphitic, Nanocarbon-Encapsulated, Cobalt-Rich Core-Shell Electrocatalyst as an Oxygen Electrode in a Water Electrolyzer." Advanced Energy Materials 8, no. 14:Article No. 1702838. PNNL-SA-127978. doi:10.1002/aenm.201702838
  • Zheng J., D. Barpaga, O.Y. Gutierrez, N.D. Browning, B.L. Mehdi, O. Farha, and J.A. Lercher, et al. 2018. "Exceptional Fluorocarbon Uptake with Mesoporous Metal-Organic Frameworks for Adsorption-Based Cooling Systems." ACS Applied Energy Materials 1, no. 11:5853-5858. PNNL-SA-132663. doi:10.1021/acsaem.8b01282


  • De S, MI Nandasiri, HT Schaef, BP McGrail, SK Nune, and J Lutkenhaus. 2017. "Water-based assembly of polymer-metal organic framework (MOF) functional coatings." Advanced Materials Interfaces 4(2):Article No. 1600905. doi:10.1002/admi.201600905
  • Elsaidi SK, MA Sinnwell, D Banerjee, A Devaraj, RK Kukkadapu, TC Droubay, Z Nie, L Kovarik, V Murugesan, S Manandhar, MI Nandasiri, BP McGrail, and PK Thallapally. 2017. "Reduced Magnetism in Core-Shell Magnetite@MOF Composites." Nano Letters 17(11):6968-6973.  doi:10.1021/acs.nanolett.7b03451
  • Jenks JWJ, RK Motkuri, WE TeGrotenhuis, BK Paul, and BP McGrail. 2017. "Simulation and Experimental Study of Metal Organic Frameworks Used in Adsorption Cooling." Heat Transfer Engineering 38(14-15):1305-1315. doi:10.1080/01457632.2016.1242965
  • McGrail BP, PK Thallapally, J Liu, and SK Nune. 2017. Magnetic Partitioning Nanofluid for Rare Earth Extraction from Geothermal Fluids. PNNL-26721, Pacific Northwest National Laboratory, Richland, WA. 
  • McGrail BP, HT Schaef, FA Spane, JA Horner, AT Owen, JB Cliff, III, O Qafoku, CJ Thompson, and EC Sullivan. 2017. "Wallula Basalt Pilot Demonstration Project: Post-Injection Results and Conclusions." Energy Procedia 114:5783-5790.  doi:10.1016/j.egypro.2017.03.1716
  • McGrail BP, HT Schaef, FA Spane, JB Cliff, III, O Qafoku, JA Horner, CJ Thompson, AT Owen, and EC Sullivan. 2017. "Field Validation of Supercritical CO2 Reactivity with Basalts." Environmental Science & Technology Letters 4(1):6-10. doi:10.1021/acs.estlett.6b00387
  • Schaef HT, N Loganathan, GM Bowers, RJ Kirkpatrick, AO Yazaydin, SD Burton, DW Hoyt, S Thanthiriwatte, DA Dixon, BP McGrail, KM Rosso, ES Ilton, and JS Loring. 2017. "Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2." ACS Applied Materials & Interfaces (9):36783-36791.  doi:10.1021/acsami.7b10590
  • Zheng J, VRS Vemuri, L Estevez, PK Koech, T Varga, DM Camaioni, TA Blake, BP McGrail, and RK Motkuri. 2017. "Pore-Engineered Metal-Organic Frameworks with Excellent Adsorption of Water and Fluorocarbon Refrigerant for Cooling Applications." Journal of the American Chemical Society 139(31):10601-10604.  doi:10.1021/jacs.7b04872


  • Das AK, VRS Vemuri, IV Kutnyakov, BP McGrail, and RK 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(28050):, doi:10.1038/srep28050
  • Elsaidi SK, MH Mohamed, JS Loring, BP McGrail, and PK Thallapally. 2016. "Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials." ACS Applied Materials & Interfaces 8(42):28424-28427. doi:10.1021/acsami.6b11116
  • Hopf J, SN Kerisit, F Angeli, TM Charpentier, JP Icenhower, BP McGrail, CF Windisch, SD Burton, and EM Pierce. 2016. "Glass-water interaction: Effect of high-valence cations on glass structure and chemical durability." Geochimica et Cosmochimica Acta 181:54-71.  doi:10.1016/j.gca.2016.02.023
  • Jambovane SR, SK Nune, RT Kelly, BP McGrail, Z Wang, MI Nandasiri, S Katipamula, CD Trader, and HT Schaef. 2016. "Continuous, One-pot Synthesis and Post-Synthetic Modification of NanoMOFs Using Droplet Nanoreactors." Scientific Reports (6):36657.  doi:10.1038/srep36657
  • Li B, J Liu, Z Nie, W Wang, DM Reed, J Liu, BP McGrail, and VL Sprenkle. 2016. "Metal-organic frameworks as highly active electrocatalysts for high-energy density, aqueous zinc-polyiodide redox flow batteries." Nano Letters 16(7):4335-4340. doi:10.1021/acs.nanolett.6b01426
  • Nandasiri MI, J Liu, BP McGrail, JWJ Jenks, HT Schaef, V Shutthanandan, Z Nie, PF Martin, and SK Nune. 2016. "Increased Thermal Conductivity in Metal-Organic Heat Carrier Nanofluids." Scientific Reports 6:27805.  doi:10.1038/srep27805
  • Nandasiri MI, SR Jambovane, BP McGrail, HT Schaef, and SK Nune. 2016. "Adsorption, Separation, and Catalytic Properties of Densified Metal-Organic Frameworks ." Coordination Chemistry Reviews 311:38-52. doi:10.1016/j.ccr.2015.12.004
  • Oleksiak MD, A Ghorbanpour, MT Conato, BP McGrail, LC Grabow, RK Motkuri, and JD Rimer. 2016. "Synthesis Strategies for Ultrastable Zeolite GIS Polymorphs as Sorbents for Selective Separations." Chemistry - A European Journal 22(45):15961.  doi:10.1002/chem.201603995
  • Oleksiak MD, A Ghorbanpour, MT Conato, BP McGrail, LC Grabow, RK Motkuri, and JD Rimer. 2016. "Synthesis strategies for ultrastable zeolite GIS polymorphs as sorbents for selective separations." Chemistry - A European Journal 22(45):16078-16088.  doi:10.1002/chem.201602653
  • Prodinger S, VRS Vemuri, T Varga, BP McGrail, RK Motkuri, and MA Derewinski. 2016. "Impact of chabazite SSZ-13 textural properties and chemical composition on CO2 adsorption applications." New Journal of Chemistry 40(5):4375-4385. doi:10.1039/C5NJ03205A
  • Sabale SR, J Zheng, VRS Vemuri, XY Yu, BP McGrail, and RK Motkuri. 2016. "Recent Advances in Metal-Organic Frameworks for Heterogeneous Catalyzed Organic Transformations." Synthesis and Catalysis : Open Access 1(1):Article No. 5. 
  • Zhang W, D Banerjee, J Liu, HT Schaef, JV Crum, CA Fernandez, RK Kukkadapu, Z Nie, SK Nune, RK Motkuri, KW Chapman, MH Engelhard, JC Hayes, KL Silvers, R Krishna, BP McGrail, J Liu, and PK Thallapally. 2016. "Redox-Active Metal-Organic Composites for Highly Selective Oxygen Separation Applications." Advanced Materials 28(18):3572-3577. doi:10.1002/adma.201600259


  • Annapureddy HVR, SK Nune, RK Motkuri, BP McGrail, and LX Dang. 2015. "A Combined Experimental and Computational Study on the Stability of Nanofluids Containing Metal Organic Frameworks." Journal of Physical Chemistry B 119(29):8992-8999.  doi:10.1021/jp5079086
  • Bacon DH, CMR Yonkofski, HT Schaef, MD White, and BP McGrail. 2015. "CO2 Storage by Sorption on Organic Matter and Clay in Gas Shale." Journal of Unconventional Oil and Gas Resources 12:123-133.  doi:10.1016/j.juogr.2015.09.004
  • Davidson CL, MD Bearden, JA Horner, JE Cabe, D Appriou, and BP McGrail. 2015. Geothermally Coupled Well-Based Compressed Air Energy Storage. PNNL-25171, Pacific Northwest National Laboratory, Richland, WA. 
  • Fernandez CA, SK Nune, HV Annapureddy, LX Dang, BP McGrail, F Zheng, E Polikarpov, DL King, CJ Freeman, and KP Brooks. 2015. "Hydrophobic and moisture-stable metal-organic frameworks." Dalton Transactions 44(30):13490 - 13497. doi:10.1039/C5DT00606F
  • Jenks JWJ, WE TeGrotenhuis, RK Motkuri, B Paul, and BP 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, pp. Paper No. ICNMM2015-48822; V001T03A012.  ASME, New York, NY. doi:10.1115/ICNMM2015-48822
  • Jeon JW, L Zhang, J Lutkenhaus, DD Laskar, JP Lemmon, D Choi, MI Nandasiri, A Hashmi, J Xu, RK Motkuri, CA Fernandez, J Liu, MP Tucker, BP McGrail, B Yang, and SK Nune. 2015. "Controlling Porosity in Lignin-Derived Nanoporous Carbon for Supercapacitor Applications." ChemSusChem 8(3):428-432.  doi:10.1002/cssc.201402621
  • Lee MS, BP McGrail, RJ Rousseau, and VA Glezakou. 2015. "Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations." Scientific Reports 5:Article No. 14857.  doi:10.1038/srep14857
  • Loring JS, J Chen, P Benezeth Ep Gisquet, O Qafoku, ES Ilton, NM Washton, CJ Thompson, PF Martin, BP McGrail, KM Rosso, AR Felmy, and HT Schaef. 2015. "Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide." Langmuir 31(27):7533-7543.  doi:10.1021/acs.langmuir.5b01052
  • Loring JS, J Chen, P Benezeth, O Qafoku, ES Ilton, NM Washton, CJ Thompson, PF Martin, BP McGrail, KM Rosso, AR Felmy, and HT Schaef. 2015. "Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide." Langmuir 31(27):7533-7543.  doi:10.1021/acs.langmuir.5b01052
  • Miller QR, J Kaszuba, HT Schaef, ME Bowden, and BP McGrail. 2015. "Impacts of Organic Ligands on Forsterite Reactivity in Supercritical CO2 Fluids." Environmental Science & Technology 49(7):4724-4734.  doi:10.1021/es506065d
  • Motkuri RK, PK Thallapally, HV Annapureddy, LX Dang, R Krishna, SK Nune, CA Fernandez, J Liu, and BP McGrail. 2015. "Separation of polar compounds using a flexible metal-organic framework." Chemical Communications 51(40):8421-8424.  doi:10.1039/c5cc00113g
  • Nune SK, PK Thallapally, BP McGrail, HV Annapureddy, LX Dang, D Mei, NK Karri, KJ Alvine, MJ Olszta, BW Arey, and A Dohnalkova. 2015. "Adsorption Kinetics in Nanoscale Porous Coordination Polymers ." ACS Applied Materials & Interfaces 7(39):21712-21716.  doi:10.1021/acsami.5b04109
  • Schaef HT, JS Loring, VA Glezakou, QR Miller, J Chen, AT Owen, MS Lee, ES Ilton, AR Felmy, BP McGrail, and CJ Thompson. 2015. "Competitive Sorption of CO2 and H2O in 2:1 Layer Phyllosilicates." Geochimica et Cosmochimica Acta 16:248-257.  doi:10.1016/j.gca.2015.03.027


  • Davidson CL, RT Dahowski, JJ Dooley, and BP McGrail. 2014. "Modelling the deployment of CO2 storage in U.S. gas-bearing shales." Energy Procedia 63:7272-7279.  doi:10.1016/j.egypro.2014.11.763
  • Jeon JW, R Sharma, P Meduri, BW Arey, HT Schaef, J Lutkenhaus, JP Lemmon, PK Thallapally, MI Nandasiri, BP McGrail, and SK Nune. 2014. "In Situ One-Step Synthesis of Hierarchical Nitrogen-Doped Porous Carbon for High Performance Supercapacitors." ACS Applied Materials & Interfaces 6(10):7214-7222.  doi:10.1021/am500339x
  • Annapureddy HV, RK Motkuri, PT Nguyen, TB Truong, PK Thallapally, BP McGrail, and LX Dang. 2014. "Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases." Molecular Simulation 40(7-9):571-584.  doi:10.1080/08927022.2013.829224
  • Bacon DH, R Ramanathan, HT Schaef, and BP McGrail. 2014. "Simulating Geologic Co-sequestration of Carbon Dioxide and Hydrogen Sulfide in a Basalt Formation." International Journal of Greenhouse Gas Control 21:165-176. doi:10.1016/j.ijggc.2013.12.012
  • Cantu Cantu D, BP McGrail, and VA Glezakou. 2014. "Formation mechanism of the secondary building unit in a chromium terephthalate metal-organic framework." Chemistry of Materials 26(22):6401-6409.  doi:10.1021/cm5027859
  • Conato MT, MD Oleksiak, BP McGrail, RK Motkuri, and JD Rimer. 2014. "Framework Stabilization of Si-Rich LTA Zeolite Prepared in Organic-Free Media." Chemical Communications 51(2):269-272.  doi:10.1039/c4cc07396g
  • Fernandez CA, PF Martin, HT Schaef, ME Bowden, PK Thallapally, LX Dang, W Xu, X Chen, and BP McGrail. 2014. "An Electrically Switchable Metal-Organic Framework." Scientific Reports 12(3):Article No. 6114 .  doi:10.1038/srep06114
  • Lee MS, BP McGrail, and VA Glezakou. 2014. "Microstructural Response of Variably Hydrated Ca-Rich Montmorillonite to Supercritical CO2." Environmental Science & Technology 48(15):8612-8619.  doi:10.1021/es5005889
  • McGrail BP, FA Spane, JE Amonette, CJ Thompson, and CF Brown. 2014. "Injection and Monitoring at the Wallula Basalt Pilot Project." Energy Procedia 63:2939-2948.  doi:10.1016/j.egypro.2014.11.316
  • Motkuri RK, HV Annapureddy, M Vijayakumar, HT Schaef, PF Martin, BP McGrail, LX Dang, R Krishna, and PK Thallapally. 2014. "Fluorocarbon Adsorption in Hierarchical Porous Frameworks." Nature Communications 5:Article No. 4368.  doi:10.1038/ncomms5368
  • Motkuri RK, J Liu, CA Fernandez, SK Nune, PK Thallapally, and BP McGrail. 2014. "Metal-Organic Frameworks - Synthesis and Applications." Chapter 3 in Industrial Catalysis and Separations: Innovations for Process Intensification, ed. KV Raghavan and BM Reddy, pp. 61-103.  Apple Academic Press Inc., Waretown, NJ. 
  • Schaef HT, CL Davidson, AT Owen, QR Miller, JS Loring, CJ Thompson, DH Bacon, VA Glezakou, and BP McGrail. 2014. "CO2 Utilization and Storage in Shale Gas Reservoirs: Experimental Results and Economic Impacts." Energy Procedia 63:7844-7851.  doi:10.1016/j.egypro.2014.11.819
  • Schaef HT, JA Horner, AT Owen, CJ Thompson, JS Loring, and BP McGrail. 2014. "Mineralization of Basalts in the CO2-H2O-SO2-O2 System." Environmental Science & Technology 48(9):5298-5305.  doi:10.1021/es404964j
  • Schaef HT, VA Glezakou, AT Owen, S Ramprasad, PF Martin, and BP McGrail. 2014. "Surface Condensation of CO2 onto Kaolinite." Environmental Science & Technology Letters 1(2):142-145.  doi:10.1021/ez400169b


  • Glezakou VA, and BP McGrail. 2013. "Density functional simulations as a tool to probe molecular interactions in wet supercritical CO2." Chapter 3 in Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, vol. 1133, ed. G Fitzgerald and N Govind, pp. 31-49.  American Chemical Society, Washington DC. 
  • McGrail BP, PK Thallapally, J Blanchard, SK Nune, JWJ Jenks, and LX Dang. 2013. "Metal-Organic Heat Carrier Nanofluids." Nano Energy 2(5):845-855.  doi:10.1016/j.nanoen.2013.02.007
  • Motkuri RK, PK Thallapally, and BP McGrail. 2013. "Porous Hexacyanometalates for CO2 capture applications." Proceedings of A.P. Akademi of Sciences XV(2):81-84. 
  • Schaef HT, BP McGrail, AT Owen, and BW Arey. 2013. "Mineralization of Basalts in the CO2-H2O-H2S System." International Journal of Greenhouse Gas Control 16:187-196.  doi:10.1016/j.ijggc.2013.03.020
  • Schaef HT, BP McGrail, JS Loring, ME Bowden, BW Arey, and KM Rosso. 2013. "Forsterite [Mg2SiO4)] Carbonation in Wet Supercritical CO2: An in situ High Pressure X-Ray Diffraction Study." Environmental Science & Technology 47(1):174-181. doi:10.1021/es301126f
  • Schaef HT, QRS Miller, CJ Thompson, JS Loring, ME Bowden, BW Arey, BP McGrail, and KM Rosso. 2013. "Silicate Carbonation in Supercritical CO2 Containing Dissolved H2O: An in situ High Pressure X-Ray Diffraction Study." Energy Procedia 37:5892-5896.  doi:10.1016/j.egypro.2013.06.514


  • Dang LX, HV Annapureddy, X Sun, PK Thallapally, and BP McGrail. 2012. "Understanding nanofluid stability through molecular simulation." Chemical Physics Letters 551:115-120.  doi:10.1016/j.cplett.2012.09.025
  • Fernandez CA, PK Thallapally, and BP McGrail. 2012. "Insights into the Temperature-Dependent “Breathing” of a Flexible Fluorinated Metal-Organic Framework." Chemphyschem 13(14):3275-3281.  doi:10.1002/cphc.201200243
  • Glezakou VA, BP McGrail, and HT Schaef. 2012. "Molecular interactions of SO2 with carbonate minerals under co-sequestration conditions: a combined experimental and theoretical study." Geochimica et Cosmochimica Acta 92:265-274. doi:10.1016/j.gca.2012.06.015
  • Liu J, PK Thallapally, BP McGrail, DR Brown, and J Liu. 2012. "Progress in Adsorption-Based CO2 Capture by Metal-Organic Frameworks." Chemical Society Reviews 41(6):2308 - 2322.  doi:10.1039/C1CS15221A
  • Liu J, J Tian, PK Thallapally, and BP McGrail. 2012. "Selective CO2 Capture from Flue Gas Using Metal-Organic Frameworks?A Fixed Bed Study." Journal of Physical Chemistry C 116(17):9575 - 9581.  doi:10.1021/jp300961j
  • McGrail BP, CJ Freeman, CF Brown, EC Sullivan, SK White, S Reddy, R Garber, D Tobin, J Gilmartin, and E Steffensen. 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 9:91-102. doi:10.1016/j.ijggc.2012.03.009
  • Tian J, PK Thallapally, and BP McGrail. 2012. "Gas Storage and Separation in Supramolecular Materials." In Supramolecular Chemistry: From Molecules to Nanomaterials, vol. 6, ed. JW Steed and PA Gale, pp. 3133-3152.  Wiley, Hoboken, NJ. 
  • Tian J, PK Thallapally, and BP McGrail. 2012. "Porous Organic Molecular Materials." CrystEngComm 14(6):1909 - 1919. 
  • White MD, DH Bacon, BP McGrail, DJ Watson, SK White, and ZF Zhang. 2012. STOMP Subsurface Transport Over Multiple Phases: STOMP-CO2 and STOMP-CO2e Guide: Version 1.0. PNNL-21268, Pacific Northwest National Laboratory, Richland, WA. 
  • Windisch CF, Jr, BP McGrail, and GD Maupin. 2012. Soret Effect Study on High-Pressure CO2-Water Solutions Using UV-Raman Spectroscopy and a Concentric-Tube Optical Cell. PNNL-21156, Pacific Northwest National Laboratory, Richland, WA. 
  • Windisch CF, Jr, GD Maupin, and BP McGrail. 2012. "Ultraviolet (UV) Raman Spectroscopy Study of the Soret Effect in High-Pressure CO2-Water Solutions." Applied Spectroscopy 66(7):731-739.  doi:10.1366/12-06591
  • Windisch CF, Jr, HT Schaef, PF Martin, AT Owen, and BP McGrail. 2012. "Following 18O uptake in scCO2-H2O mixtures with Raman spectroscopy." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 94:186-191. doi:10.1016/j.saa.2012.03.065
  • Windisch CF, Jr, VA Glezakou, PF Martin, BP McGrail, and HT Schaef. 2012. "Raman Spectrum of Supercritical C18O2 and Re-Evaluation of the Fermi Resonance." Physical Chemistry Chemical Physics. PCCP 14(8):2560-2566. doi:10.1039/c1cp22349f


  • Sullivan EC, BA Hardage, BP McGrail, and KN Davis. 2011. "Breakthroughs in Seismic and Borehole Characterization of Basalt Sequestration Targets." Energy Procedia 4:5615-5622.  doi:10.1016/j.egypro.2011.02.551
  • McGrail BP, FA Spane, EC Sullivan, DH Bacon, and G Hund. 2011. "The Wallula Basalt Sequestration Pilot Project." Energy Procedia 4:5653-5660.  doi:10.1016/j.egypro.2011.02.557
  • Motkuri RK, PK Thallapally, SK Nune, CA Fernandez, BP McGrail, and JL Atwood. 2011. "Role of hydrocarbons in pore expansion and contraction of a flexible metal-organic framework." Chemical Communications 47(25):7077-7079. doi:10.1039/c1cc11738f
  • Schaef HT, BP McGrail, and AT Owen. 2011. " Basalt Reactivity Variability with Reservoir Depth in Supercritical CO2 and Aqueous Phases." Energy Procedia 4:4977-4984 .  doi:10.1016/j.egypro.2011.02.468
  • Schaef HT, CF Windisch, Jr, BP McGrail, PF Martin, and KM Rosso. 2011. "Brucite [Mg(OH2)] Carbonation in Wet Supercritical CO2: An in situ High Pressure X-Ray Diffraction Study." Geochimica et Cosmochimica Acta 75(1):7458-7471. doi:10.1016/j.gca.2011.09.029
  • Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Computational study of hydrocarbon adsorption in metal-organic framework Ni2(dhtp)." Journal of Physical Chemistry B 115(12):2842-2849.  doi:10.1021/jp1115299
  • Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Molecular mechanism of hydrocarbons binding to the metal-organic framework." Chemical Physics Letters 501(4-6):455-460.  doi:10.1016/j.cplett.2010.11.070
  • Tian J, S Ma, PK Thallapally, D Fowler, BP McGrail, and JL Atwood. 2011. "Cucurbit[7]uril: an Amorphous Molecular Material for Highly Selective Carbon Dioxide Uptake." Chemical Communications 47(27):7626-7628.  doi:10.1039/C1CC12689J
  • Um W, HB Jung, PF Martin, and BP McGrail. 2011. Effective Permeability Change in Wellbore Cement with Carbon Dioxide Reaction. PNNL-20843, Pacific Northwest National Laboratory, Richland, WA. 
  • Van Iseghem P, M Aerstens, S Gin, B Grambow, DM Strachan, BP McGrail, GG Wicks, and T McMenamin. 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(1):9-12. 
  • White MD, BP McGrail, HT Schaef, JZ Hu, DW Hoyt, AR Felmy, KM Rosso, and SK Wurstner. 2011. "Multiphase Sequestration Geochemistry: Model for Mineral Carbonation." Energy Procedia 4:5009-5016. doi:10.1016/j.egypro.2011.02.472
  • White MD, SK Wurstner, and BP McGrail. 2011. "Numerical studies of methane production from Class 1 gas hydrate accumulations enhanced with carbon dioxide injection." Marine and Petroleum Geology 28(2):546-560. doi:10.1016/j.marpetgeo.2009.06.008


  • Skomurski FN, KM Rosso, KM Krupka, and BP McGrail. 2010. "Technetium incorporation into hematite (a-Fe2O3)." Environmental Science & Technology 44(15):5855-5861 . 
  • Thallapally PK, RK Motkuri, CA Fernandez, BP McGrail, and GS Behrooz. 2010. "Prussian Blue Analogues for CO2 and SO2 Capture and Separation Applications." Inorganic Chemistry 49(11):4909-4915.  doi:10.1021/ic902397w
  • Daschbach JL, X Sun, PK Thallapally, BP McGrail, and LX Dang. 2010. "Grand Canonical Monte Carlo studies of CO2 and CH4 adsorption in p-tert-butylcalix[4]arene." Journal of Physical Chemistry B 114(17):5764-5768. 
  • Fernandez CA, SK Nune, RK Motkuri, PK Thallapally, CM Wang, J Liu, GJ Exarhos, and BP McGrail. 2010. "Synthesis, characterization, and application of metal organic framework nanostructures." Langmuir 26(24):18591-18594. doi:10.1021/la103590t
  • Glezakou VA, RJ Rousseau, LX Dang, and BP 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(31):8759-8771.  doi:10.1039/B923306G
  • Krupka KM, KJ Cantrell, and BP McGrail. 2010. Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration - Literature Review . PNNL-19766, Pacific Northwest National Laboratory, Richland, WA. 
  • Motkuri RK, PK Thallapally, BP McGrail, and BS Ghorishi. 2010. "Dehydrated Prussian Blues for CO2 Storage and Separation Applications." CrystEngComm 12 (12):4003 - 4006.  doi:10.1039/C0CE00199F
  • Motkuri RK, J Tian, PK Thallapally, CA Fernandez, SJ Dalgarno, JE Warren, BP McGrail, and JL Atwood. 2010. "Flexible metal-organic supramolecular isomers for gas separation." Chemical Communications 46(4):538-540. doi:10.1039/b913910a
  • Nune SK, PK Thallapally, and BP McGrail. 2010. "Metal organic gels (MOGs): a new class of sorbents for CO2 separation applications." Journal of Materials Chemistry 20(36):7623-7625.  doi:10.1039/c0jm01907k
  • Pierce EM, LR Reed, WJ Shaw, BP McGrail, JP Icenhower, CF Windisch, Jr, EA Cordova, and JW Broady. 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 74:2634-2654.  doi:10.1016/j.gca.2009.09.006
  • Schaef HT, BP McGrail, and AT Owen. 2010. "Carbonate Mineralization of Volcanic Province Basalts." International Journal of Greenhouse Gas Control 4(2 ):249-261. 
  • Tian J, RK Motkuri, PK Thallapally, and BP McGrail. 2010. "Metal-Organic Framework Isomers with Diamondoid Networks Constructed of a Semi-Rigid Tetrahedral Linker." Crystal Growth & Design 10(12):5327-5333.  doi:10.1021/cg101222w
  • Windisch CF, Jr, PK Thallapally, and BP 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(1):287-291. doi:10.1016/j.saa.2010.05.024


  • Icenhower JP, EM Pierce, and BP 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, p. Paper No. 9404.  WM Symposia, Phoenix, AZ. 
  • McGrail BP, HT Schaef, VA Glezakou, LX Dang, and AT Owen. 2009. "Water Reactivity in the Liquid and Supercritical CO2 Phase: Has Half the Story Been Neglected?" Energy Procedia 1(1):3415-3419.  doi:10.1016/j.egypro.2009.02.131
  • Daschbach JL, X Sun, TM Chang, PK Thallapally, BP McGrail, and LX 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(14):3369-3374.  doi:10.1021/jp808490g
  • Glezakou VA, LX Dang, and BP McGrail. 2009. "Spontaneous activation of CO2 and possible corrosion pathways on the low-index Iron surface Fe(100)." Journal of Physical Chemistry C 113(9):3691-3696. 
  • Schaef HT, BP McGrail, and AT Owen. 2009. "Basalt-CO2-H2O Interactions and Variability in Carbonate Mineralization Rates." In Energy Procedia, 9th International Conference on Greenhouse Gas Control Technologies , vol. 1, no. 1, pp. 4899-4906.  Elsevier, Amsterdam, Netherlands. 
  • Schaef HT, and BP 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(5):980-987. 
  • Tian J, PK Thallapally, SJ Dalgarno, BP McGrail, and JL Atwood. 2009. "Amorphous Molecular Organic Solids for Gas Adsorption." Angewandte Chemie International Edition 48(30):5492 -5495. 
  • Van Iseghem P, M Aerstens, S Gin, D Deneele, B Grambow, DM Strachan, BP McGrail, and GG Wicks. 2009. "GLAMOR - OR HOW WE ACHIEVED A COMMON UNDERSTANDING ON THE DECREASE OF GLASS DISSOLUTION KINETICS." Ceramic Transactions 207:115-126. 
  • Windisch CF, Jr, PK Thallapally, and BP McGrail. 2009. "Adsorption of CO2 on CoII3[CoIII(CN)6]2 Using DRIFTS." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 74(3):629-634. doi:10.1016/j.saa.2009.07.004


  • Icenhower JP, BP McGrail, WJ Shaw, EM Pierce, P Nachimuthu, DK Shuh, EA Rodriguez, and JL Steele. 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(12):2767-2788. doi:10.1016/j.gca.2008.02.026
  • Pierce EM, EA Rodriguez, LJ Calligan, WJ Shaw, and BP 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(9):2559-2573.  doi:10.1016/j.apgeochem.2008.05.006
  • Thallapally PK, BP McGrail, SJ Dalgarno, and JL Atwood. 2008. "Gas/solvent-induced transformation and expansion of a nonporous solid to 1:1 host guest form." Crystal Growth & Design 8(7):2090-2092.  doi:10.1021/cg800347n
  • Thallapally PK, BP McGrail, SJ Dalgarno, HT Schaef, J Tian, and JL Atwood. 2008. "Gas-Induced Transformation and Expansion of a Non-Porous Organic Solid." Nature Materials 7(2):146-150.  doi:10.1038/nmat2097
  • Thallapally PK, J Tian, RK Motkuri, CA Fernandez, SJ Dalgarno, BP McGrail, JE Warren, and JL Atwood. 2008. "Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO2 Separation Applications." Journal of the American Chemical Society 130(50):16842-16843.  doi:10.1021/ja806391k
  • Daschbach JL, PK Thallapally, BP McGrail, and LX 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(4-6):123-128. doi:10.1016/j.cplett.2008.01.031
  • White MD, and BP 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, p. Paper No. OCT 19458.  Offshore Technology Conference, Richardson, TX. 


  • McGrail BP, HT Schaef, MD White, T Zhu, AS Kulkarni, RB Hunter, SL Patil, AT Owen, and PF Martin. 2007. Using Carbon Dioxide to Enhance Recovery of Methane from Gas Hydrate Reservoirs: Final Summary Report. PNNL-17035, Pacific Northwest National Laboratory, Richland, WA. 
  • Thallapally PK, BP McGrail, and JL Atwood. 2007. "Sorption of nitrogen oxides in a nonporous crystal." Chemical Communications (15):1521-1523.  doi:10.1039/b617340c
  • Thallapally PK, BP McGrail, JL Atwood, C Gaeta, and P Neri. 2007. "Carbon Dioxide Capture in a Self-Assembled Organic Nanochannels." Chemistry of Materials 19(14):3355-3357.  doi:10.1021/cm0709121
  • Daschbach JL, PK Thallapally, JL Atwood, BP McGrail, and LX Dang. 2007. "Free energies of CO2/H-2 capture by p-tert-butylcalix[4]arene. A molecular dynamics study." Journal of Chemical Physics 127(10):Art. No. 104702. 
  • McGrail BP, S Ahmed, HT Schaef, AT Owen, PPNNL Martin, and T Zhu. 2007. "Gas Hydrate Property Measurements in Porous Sediments With Resonant Ultrasound Spectroscopy." Journal of Geophysical Research. Solid Earth 112(B05202):,doi:10.1029/2005JB004084
  • Pierce EM, BP McGrail, PPNNL Martin, JC Marra, BW Arey, and KN Geiszler. 2007. "Accelerated Weathering of High-Level and Plutonium-bearing Lanthanide Borosilicate Waste Glasses under Hydraulically Unsaturated Conditions." Applied Geochemistry 22(9):1841-1859.  doi:10.1016/j.apgeochem.2007.03.056


  • Icenhower JP, DM Strachan, BP McGrail, RD Scheele, EA Rodriguez, JL Steele, and VL LeGore. 2006. "Dissolution kinetics of pyrochlore ceramics for the disposition of plutonium ." American Mineralogist 91(1):39-53. 
  • Icenhower JP, DM Strachan, BP McGrail, RD Scheele, EA Rodriguez, JL Steele, and VL Legore. 2006. "Dissolution Kinetics of Pyrochlore Ceramics for the Disposition of Plutonium." American Mineralogist 91(1):39-53. 
  • Saripalli KP, VL Freedman, BP McGrail, and PD Meyer. 2006. "Characterization of the specific solid-water interfacial area-water saturation relationship and its import to reactive transport ." Vadose Zone Journal 5(2):777-783. doi:10.2136/vzj2005.0145
  • Bagaasen LM, TM Brouns, ML Elliott, PR Hrma, DS Kim, J Matyas, EM Pierce, BP McGrail, MJ Schweiger, BE Campbell, and AE Beck. 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.  WM Symposia, Tucson, AZ. 
  • Daschbach JL, TM Chang, LR Corrales, LX Dang, and BP McGrail. 2006. "Molecular mechanisms of hydrogen loaded B-hydroquinone clathrate." Journal of Physical Chemistry B 110(35):17291-17295.  doi:10.1021/jp062691c S1520-6106(06)02691-5
  • Mattigod SV, BP McGrail, DE McCready, LQ Wang, KE Parker, and JS Young. 2006. "Synthesis and Structure of Perrhenate Sodalite." Microporous and Mesoporous Materials 91(1-3):139-144. 
  • McGrail BP, HT Schaef, AM Ho, YJ Chien, JJ Dooley, and CL Davidson. 2006. "Potential for Carbon Dioxide Sequestration in Flood Basalts." Journal of Geophysical Research. Solid Earth 111(B12):Art. No. B12201. 
  • Ojovan MI, W Lee, A Barinov, IV Startsceva, DH Bacon, BP McGrail, and JD Vienna. 2006. "Corrosion of low level vitrified radioactive waste in a loamy soil." Glass Technology 47(2):48-55. 
  • Pierce EM, BP McGrail, MM Valenta, and DM 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(2):149-165. 
  • Pierce EM, BP McGrail, LM Bagaasen, EA Rodriguez, DM Wellman, KN Geiszler, SR Baum, LR Reed, JV Crum, and HT Schaef. 2006. Laboratory Testing of Bulk Vitrified Low-Activity Waste Forms to Support the 2005 Integrated Disposal Facility Performance Assessment. PNNL-15126 Rev. 2, Pacific Northwest National Laboratory, Richland, WA. 
  • White MD, BP McGrail, HT Schaef, and DH 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.  Technical University of Denmark, Kgs. Lyngby, Denmark.  doi:10.4122/1.1000000368
  • White MD, and BP 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, ed. A Reedman, YS Park, JJ Bahk and N Chaimanee, pp. 77-86.  The Coordinating Committee for Geoscience Programmes in East and Southeast Asia (CCOP), Bangkok, Thailand. 



  • Icenhower JP, A Luttge, BP McGrail, MS Beig, RS Arvidson, EA Cordova, JL Steele, and SR Baum. 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, vol. 757, ed. Robert J. Finch and Daniel B. Bullen, pp. 119-126.  Materials Research Society, Warrendale, PA. 
  • Icenhower JP, SD Samson, A Luttge, and BP McGrail. 2004. "Towards a Consistent Rate Law: Glass Corrosion Kinetics Near Saturation." In “Energy, Waste, and the Environment - A geochemical Perspective” , ed. R. Gier� and P. Stille, pp. 579-594.  Geological Society of London, London, United Kingdom. 
  • Bacon DH, MD White, and BP 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, Pacific Northwest National Laboratory, Richland, WA. 
  • McCready DE, SV Mattigod, JS Young, and BP 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, vol. 47, International Centre for Diffraction Data, Newtown Square, PA. 
  • Pierce EM, BP McGrail, JP Icenhower, EA Cordova, JL Steele, and SR 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, vol. 44, no. 2; part 3, pp. 1151-1158.  American Chemical Society, Washington, DC. 
  • Pierce EM, BP McGrail, EA Rodriguez, HT Schaef, P Saripalli, RJ Serne, KM Krupka, PF Martin, SR Baum, KN Geiszler, LR Reed, and WJ Shaw. 2004. Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. PNNL-14805, Pacific Northwest National Laboratory, Richland, WA. 
  • Pierce EM, BP McGrail, LM Bagaasen, DM Wellman, JV Crum, KN Geiszler, and SR Baum. 2004. Progress Report on the Laboratory Testing of the Bulk Vitrification Cast Refractory. PNNL-14935, Pacific Northwest National Laboratory, Richland, WA. 
  • Van Iseghem P, M Aetsens, K Lemmens, S Gin, D Deneele, B Grambow, BP McGrail, DM Strachan, G Wicks, and T McMenamin. 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.  Office for Official Publications of the European Communities, Luxembourg City, Luxembourg. 


  • Icenhower JP, A Luttge, BP McGrail, MS Beig, RS Arvidson, EA Cordova, JL Steele, and SR Baum. 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, vol. 757, ed. Robert J. Finch; Daniel B. Bullen, pp. 119-126.  Materials Research Society, Warrendale, PA. 
  • McGrail BP, AM Ho, SP Reidel, and HT 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 , vol. II, ed. J Gale and Y Kaya, pp. 1637-1640.  Pergamon, Amsterdam, Netherlands. 
  • McGrail BP, DH Bacon, PD Meyer, MI Ojovan, DM Strachan, N Ojovan, and IV 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 , vol. 757, ed. RJ Finch and DB Bullen, p. Paper No. 112.1.  Materials Research Society, Warrendale, PA. 
  • Bacon DH, and BP McGrail. 2003. "Lessons Learned From Reactive Transport Modeling of a Low-Activity Waste Glass Disposal System." Computers & Geosciences 29(2003):361-370. 
  • Bacon DH, and BP 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, vol. 757, ed. Robert J. Finch and Daniel B. Bullen, pp. 43-48.  Materials Research Society, Warrendale, PA. 
  • Bacon DH, MI Ojovan, BP McGrail, N Ojovan, and IV Startsceva. 2003. "Vitrified Waste Corrosion Rates From Field Experiment and Reactive Transport Modeling." In 9th International Conference on Radioactive Waste Management and Environmental Remediation, vol. 2, ed. Gary Benda and Fred Sheil, pp. 803-809.  American Society of Mechanical Engineers, Oxford, England. 
  • Icenhower JP, WJ Weber, NJ Hess, S Thevuthasan, BD Begg, BP McGrail, EA Cordova, JL Steele, and KN Geiszler. 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, vol. 757, ed. RJ Finch and DB Bullen, pp. 227-234, paper no. II6.1.  Materials Research Society, Warrendale, PA. 
  • McGrail BP, DH Bacon, RJ Serne, and EM Pierce. 2003. A Strategy to Assess Performance of Selected Low-Activity Waste Forms in an Integrated Disposal Facility. PNNL-14362, Pacific Northwest National Laboratory, Richland, WA. 
  • McGrail BP, EM Pierce, HT Schaef, EA Rodriguez, JL Steele, AT Owen, and DM 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, Pacific Northwest National Laboratory, Richland, WA. 
  • White MD, and BP 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, vol. I, ed. J. Gale and Y. Kaya, pp. 449-456.  Pergamon, Oxford, United Kingdom. 


  • Saripalli KP, RJ Serne, PD Meyer, and BP McGrail. 2002. "Prediction of Diffusion Coefficients in Porous Media using Tortuosity Factors Based on Interfacial Areas ." Ground Water 40(4):346-352. 
  • Saripalli P, and BP McGrail. 2002. "Semi-analytical approaches to modeling deep well injection of CO2 for geological sequestration." Energy Conversion and Management 43(2):185-198. 
  • Saripalli P, BP McGrail, and DC Girven. 2002. "Adsorption of Molybdenum on to Anatase from Dilute Aqueous Solutions." Applied Geochemistry 17(5):649-656. 
  • Saripalli P, BP McGrail, and DC Girvin. 2002. "Adsorption of molybdenum on to anatase from dilute aqueous solutions." Applied Geochemistry 17(5):649-656. 
  • Bacon DH, and BP McGrail. 2002. Effect of Design Changes On Remote Handled Trench Waste Form Release Calculations. PNNL-13947, Pacific Northwest National Laboratory, Richland, WA. 
  • Bacon DH, BP McGrail, VL Freedman, G Ventura, PN Risoluti, and KM 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 , vol. 713, ed. McGrail, B. P.; Cragnolino, G. A., pp. 267-274.  Materials Research Society, Warrendale, PA. 
  • Bredt PR, CC Ainsworth, FJ Brockman, DM Camaioni, OB Egorov, AR Felmy, YA Gorby, JW Grate, MS Greenwood, BP Hay, NJ Hess, TL Hubler, JP Icenhower, SV Mattigod, BP McGrail, PD Meyer, CJ Murray, PD Panetta, DM Pfund, D Rai, Y Su, SK Sundaram, WJ Weber, and JM Zachara. 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, Pacific Northwest National Laboratory, Richland, WA. 
  • Icenhower JP, BP McGrail, DM Strachan, RD Scheele, VL Legore, EA Cordova, JL Steele, CF Brown, and MJ O'Hara. 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, vol. 713, ed. B.P. McGrail and G.A. Cragnolino, pp. 433-440 paper no. JJ11.38.  Materials Research Society, Warrendale, PA. 
  • Icenhower JP, BP McGrail, WJ Weber, BD Begg, NJ Hess, EA Cordova, JL Steele, CF Brown, and MJ O'Hara. 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, vol. 713, ed. BP McGrail and GA Cragnolino, pp. 397-403 paper no. JJ6.2.  Materials Research Society, Warrendale, PA. 
  • Mattigod SV, RJ Serne, BP McGrail, and VL Legore. 2002. "Radionuclide Incorporation in Secondary Crystalline Minerals from Chemical Weathering of Waste Glasses." In MRS Symposium , vol. 713, pp. 597-606.  Materials Research Society , Warrendale, PA. 
  • McGrail BP, JP Icenhower, and EA 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, vol. 713, ed. McGrail, B.P. and Cragnolino, G. A., pp. 537-546.  Materials Research Society, Warrendale, PA. 
  • Shutthanandan V, DR Baer, S Thevuthasan, EM Adams, S Maheswaran, MH Engelhard, JP Icenhower, and BP McGrail. 2002. "High Energy Ion Beam Studies of Ion Exchange in a Na2O-Al2O3-SiO2 Glass." Journal of Applied Physics 91(4):1910-1920. 


  • McGrail BP. 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(8):711-723. 
  • Bacon DH, and BP McGrail. 2001. Waste Form Release Calculations for the 2001 Immobilized Low-Activity Waste Performance Assessment. PNNL-13369, Pacific Northwest National Laboratory, Richland, WA. 
  • Begg BD, NJ Hess, WJ Weber, R Devanathan, JP Icenhower, S Thevuthasan, and BP McGrail. 2001. "Heavy-Ion Irradiation Effects on Structures and Acid Dissolution of Pyrochlores." Journal of Nuclear Materials 288(2-3):208-216. 
  • McGrail BP, JP Icenhower, DK Shuh, P Liu, JG Darab, DR Baer, S Thevuthasan, V Shutthanandan, MH Engelhard, CH Booth, and P Nachimuthu. 2001. "The Structure of Na2O-Al2O3-SiO2 Glass: Impact on Sodium Ion Exchange in H2O and D2O." Journal of Non-crystalline Solids 296:10-26. 
  • McGrail BP, JP Icenhower, PF Martin, HT Schaef, MJ O'Hara, E Rodriguez, and JL Steele. 2001. Waste Form Release Data Package for the 2001 Immobilized Low-Activity Waste Performance Assessment. PNNL-13043 Rev.2, Pacific Northwest National Laboratory, Richland, WA. 
  • McGrail BP, DH Bacon, JP Icenhower, FM Mann, RJ Puigh, HT Schaef, and SV Mattigod. 2001. "Near-Field Performance Assessment for a Low-Activity Waste Glass Disposal System: Laboratory Testing to Modeling Results." Journal of Nuclear Materials 298(1-2):95-111. 
  • McGrail BP, PF Martin, KP Saripalli, SL Bryant, and BM Sass. 2001. "Use of Forced Mineral Trapping for Sequestration of CO2." In First National Conference on Carbon Sequestration.  National Energy Technology Laboratory, Morgantown, WV. 
  • Meyer PD, BP McGrail, and DH Bacon. 2001. Test Plan for Field Experiments to Support the Immobilized Low-Activity Waste Disposal Performance Assessment at the Hanford Site. PNNL-13670, Pacific Northwest National Laboratory, Richland, WA. 
  • Nozaki A, BP McGrail, MJ Fayer, and KP Saripalli. 2001. "A Coupled Mechanical-Chemical Stability Analysis for a Low Activity Waste Disposal Facility at the Hanford Site." Computers & Structures 79(16):1503-1516. 
  • Rai D, Y Xia, NJ Hess, DM Strachan, and BP McGrail. 2001. "Hydroxo and Chloro Complexes/Ion-Interactions of Hf4+ and the Solubility Product of HfO2(am)." Journal of Solution Chemistry 30(11):949-967. 
  • Shutthanandan V, S Thevuthasan, DR Baer, EM Adams, S Maheswaran, MH Engelhard, JP Icenhower, and BP McGrail. 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, vol. 576, ed. J. L. Duggan and I.L. Morgan, pp. 454-457.  American Institute of Physics, New York, NY. 


  • Icenhower JP, BP McGrail, HT Schaef, and EA 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, vol. 23, ed. R.W. Smith and D.W. Shoesmith, pp. 373-378 .  Materials Research Society, Warrendale, PA. 
  • McGrail BP, PF Martin, HT Schaef, CW Lindenmeier, and AT 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., vol. 608, pp. 345-352.  Materials Research Society, Warrendale, PA. 
  • Abraitis PK, BP McGrail, DP Trivedi, FR Livens, and DJ 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(2):196-205. 
  • Abraitis PK, BP McGrail, DP Trivedi, FR Livens, and DJ 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(2):206-215. 
  • Bacon DH, MD White, and BP 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, Pacific Northwest National Laboratory, Richland, WA. 
  • Begg BD, WJ Weber, R Devanathan, JP Icenhower, S Thevuthasan, and BP McGrail. 2000. "Heavy-Ion Irradiation Effects in Pyrochlores." In Environmental Issues and Waste Management Technologies in the Ceramic and Nuclear Industries V, Ceramic Transactions, vol. 107, ed. G.T. Chandler and X. Feng, pp. 553-560.  The American Ceramic Society, Westerville, OH. 
  • McGrail BP, JP Icenhower, PF Martin, DR Rector, HT Schaef, EA Rodriguez, and JL Steele. 2000. Low-Activity Waste Glass Studies: FY2000 Summary Report. PNNL-13381, Pacific Northwest National Laboratory, Richland, WA. 
  • Vienna JD, A Jiricka, BP McGrail, BM Jorgensen, DE Smith, BR Allen, JC Marra, DK Peeler, KG Brown, IA Reamer, and WL Ebert. 2000. Hanford Immobilized LAW Product Acceptance: Initial Tanks Focus Area Testing Data Package . PNNL-13101, Pacific Northwest National Laboratory, Richland, WA. 
  • Weber WJ, LR Corrales, NJ Ness, RE Williford, HL Heinisch, S Thevuthasan, JP Icenhower, BP McGrail, R Devanathan, RM Van Ginhoven, J Song, B Park, W Jiang, BD Begg, RB Birtcher, X Chen, and SD Conradson. 2000. Radiation Effects in Nuclear Waste Materials. PNNL-13345, Pacific Northwest National Laboratory, Richland, WA. 
  • White MD, and BP 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, vol. 1, no. 1, pp. 3099-3106.  Elsevier, Oxford, United Kingdom.  doi:10.1016/j.egypro.2009.02.090


  • McGrail BP, CW Lindenmeier, and PF 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, vol. 556, pp. 421-428.  Materials Research Society, Warrendale, PA. 
  • McGrail BP, PF Martin, CW Lindenmeier, and HT 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, ed. Leslie G. Mallinson, pp. 313-320.  Kluwer Academic/Plenum Publishers, New York, NY. 
  • Abraitis PK, BP McGrail, and DP 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., vol. 556, ed. David J. Wronkiewicz; Joon H. Lee, pp. 401-408.  Materials Research Society, Warrendale, PA. 
  • Darab JG, JC Linehan, and BP 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, vol. 556, pp. 337-344.  Materials Research Society, Warrendale. 
  • Mattigod SV, and BP McGrail. 1999. "Estimating the standard free energy of formation of zeolites using the polymer model." Microporous and Mesoporous Materials 27(1):41-47.