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Fundamental and Computational Sciences Directorate

Staff information

Herbert Schaef

Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-96
Richland, WA 99352

PNNL Publications


  • 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
  • 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
  • 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


  • 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
  • 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
  • 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
  • Loring JS, ES Ilton, J Chen, CJ Thompson, PF Martin, P Benezeth, KM Rosso, AR Felmy, and HT Schaef. 2014. "In Situ Study of CO2 and H2O Partitioning Between Na-Montmorillonite and Variably Wet Supercritical Carbon Dioxide." Langmuir 30(21):6120-6128.  doi:10.1021/la500682t
  • 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
  • Rose KK, JE Johnson, ME Torres, WL Hong, L Giosan, E Solomon, M Kastner, T Cawthern, PE Long, and HT Schaef. 2014. "Anomalous porosity preservation and preferential accumulation of gas hydrate in the Andaman accretionary wedge, NGHP-01 site 17A." Marine and Petroleum Geology 58(A):99-116.  doi:10.1016/j.marpetgeo.2014.04.009
  • 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
  • Thompson CJ, PF Martin, J Chen, P Benezeth, HT Schaef, KM Rosso, AR Felmy, and JS Loring. 2014. "Automated High-Pressure Titration System with In Situ Infrared Spectroscopic Detection." Review of Scientific Instruments 85(4):Article No. 044102.  doi:10.1063/1.4870411


  • Loring JS, HT Schaef, CJ Thompson, RVF Turcu, QR Miller, J Chen, JZ Hu, DW Hoyt, PF Martin, ES Ilton, AR Felmy, and KM Rosso. 2013. "Clay hydration/dehydration in dry to water-saturated supercritical CO2: Implications for caprock integrity." Energy Procedia 37:5443-54448.  doi:10.1016/j.egypro.2013.06.463
  • Miller QRS, CJ Thompson, JS Loring, CF Windisch, Jr, ME Bowden, DW Hoyt, JZ Hu, BW Arey, KM Rosso, and HT Schaef. 2013. "Insights into Silicate Carbonation Processes in Water-Bearing Supercritical CO2 Fluids." International Journal of Greenhouse Gas Control 15:104-118.  doi:10.1016/j.ijggc.2013.02.005
  • Riley BJ, BR Johnson, HT Schaef, and SK Sundaram. 2013. "Sublimation-Condensation of Multiscale Tellurium Structures." Journal of Physical Chemistry C 117(19):10128-10134.  doi:10.1021/jp400363a
  • Rother G, ES Ilton, D Wallacher, T Hauss, HT Schaef, O Qafoku, KM Rosso, AR Felmy, E Krukowski, AG Stack, N Grimm, and RJ Bodnar. 2013. "CO2 Sorption to Subsingle Hydration Layer Montmorillonite Clay Studied by Excess Sorption and Neutron Diffraction Measurements." Environmental Science & Technology 47(1):205-211.  doi:10.1021/es301382y
  • 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
  • Wang Z, AR Felmy, CJ Thompson, JS Loring, AG Joly, KM Rosso, HT Schaef, and DA Dixon. 2013. "Near-Infrared Spectroscopic Investigation of Water in Supercritical CO2 and the Effect of CaCl2." Fluid Phase Equilibria 338:155-163.  doi:10.1016/j.fluid.2012.11.012


  • Felmy AR, O Qafoku, BW Arey, JZ Hu, MY Hu, HT Schaef, ES Ilton, NJ Hess, CI Pearce, J Feng, and KM Rosso. 2012. "Reaction of Water-Saturated Supercritical CO2 with Forsterite: Evidence for Magnesite Formation at Low Temperatures." Geochimica et Cosmochimica Acta 91:271-282.  doi:10.1016/j.gca.2012.05.026
  • 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
  • Ilton ES, HT Schaef, O Qafoku, KM Rosso, and AR Felmy. 2012. "In Situ X-Ray Diffraction Study of Na+ Saturated Montmorillonite Exposed to Variably Wet Super Critical CO2." Environmental Science & Technology 46(7):4241-4248.  doi:10.1021/es300234v
  • Loring JS, CJ Thompson, C Zhang, Z Wang, HT Schaef, and KM Rosso. 2012. "In Situ Infrared Spectroscopic Study of Brucite Carbonation in Dry to Water-Saturated Supercritical Carbon Dioxide." The Journal of Physical Chemistry Letters 116(19):4768-4777.  doi:10.1021/jp210020t
  • Loring JS, HT Schaef, RVF Turcu, CJ Thompson, QRS Miller, PF Martin, JZ Hu, DW Hoyt, O Qafoku, ES Ilton, AR Felmy, and KM Rosso. 2012. "In Situ Molecular Spectroscopic Evidence for CO2 Intercalation into Montmorillonite in Supercritical Carbon Dioxide." Langmuir 28(18):7125-7128.  doi:10.1021/la301136w
  • Schaef HT, ES Ilton, O Qafoku, PF Martin, AR Felmy, and KM Rosso. 2012. "In situ XRD Study of Ca2+ Saturated Montmorillonite (STX-1) Exposed to Anhydrous and Wet Supercritical Carbon Dioxide." International Journal of Greenhouse Gas Control 6(1):220-229.  doi:10.1016/j.ijggc.2011.11.001
  • 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


  • 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
  • Loring JS, CJ Thompson, Z Wang, AG Joly, DS Sklarew, HT Schaef, ES Ilton, KM Rosso, and AR Felmy. 2011. "In Situ Infrared Spectroscopic Study of Forsterite Carbonation in Wet Supercritical CO2." Environmental Science & Technology 45(14):6204-6210.  doi:10.1021/es201284e
  • Rai D, M Yui, HT Schaef, and A Kitamura. 2011. "Thermodynamic Model for SnO2(cr) and SnO2(am) Solubility in the Aqueous Na+-H+ -OH- -Cl- -H2O System." Journal of Solution Chemistry 40(7):1155-1172.  doi:10.1007/s10953-011-9723-1
  • 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
  • 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


  • Schaef HT, BP McGrail, and AT Owen. 2010. "Carbonate Mineralization of Volcanic Province Basalts." International Journal of Greenhouse Gas Control 4(2 ):249-261. 
  • Cantrell KJ, KM Krupka, KN Geiszler, BW Arey, and HT Schaef. 2010. Hanford Site Tank 241-C-108 Residual Waste Contaminant Release Models and Supporting Data PNNL-19425, Pacific Northwest National Laboratory, Richland, WA. 
  • Krupka KM, KJ Cantrell, HT Schaef, BW Arey, SM Heald, WJ Deutsch, and MJ Lindberg. 2010. "Characterizing Solids in Residual Wastes from Single-Shell Tanks at the Hanford Site." Radwaste Solutions 17(2):64-75. 
  • Rai D, M Yui, HT Schaef, and A Kitamura. 2010. "Thermodynamic Model for BiPO4(cr) and Bi(OH)3(am) Solubility in the Aqueous Na+-H+-H2PO- 4 -HPO2- 4 -PO3- 4 -OH--Cl--H2O System ." Journal of Solution Chemistry 39(7):999-1019.  doi:10.1007/s10953-010-9561-6


  • 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. 
  • 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. 
  • Krupka KM, KJ Cantrell, HT Schaef, BW Arey, SM Heald, WJ Deutsch, and MJ Lindberg. 2009. "Characterization of Solids in Residual Wastes from Single-Shell Tanks at the Hanford Site, Washington, USA - 9277." In WM2009 Waste Management for the Nuclear Renaissance, March 1-5, 2009, Phoenix, Arizona.  WM Symposia Inc., Tempe , 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
  • Valenta MM, KN Geiszler, BN Bjornstad, HT Schaef, and CF Brown. 2009. Tier II Analysis of Vadose Zone Sediments from UPRS 200-E-81 and 200-E-86PNNL-18383, Pacific Northwest National Laboratory, Richland, WA. 




  • Deutsch WJ, KM Krupka, MJ Lindberg, KJ Cantrell, CF Brown, and HT Schaef. 2006. Hanford Tank 241-C-106: Impact of Cement Reactions on Release of Contaminants from Residual WastePNNL-15544, Pacific Northwest National Laboratory, Richland, WA. 
  • Krupka KM, CF Brown, HT Schaef, SM Heald, MM Valenta, and BW Arey. 2006. "Rhenium Uptake, as Analogue for Tc-99, by Steel Corrosion Products." In Proceedings of the 11th International High-Level Radioactive Waste Management Conference (IHLRWM), April 30 - May 4, 2006, Las Vegas, Nevada, ed. B. Sagar (Technical Program Chair), pp. 905-912.  American Nuclear Society, La Grange Park, IL. 
  • Krupka KM, HT Schaef, BW Arey, SM Heald, WJ Deutsch, MJ Lindberg, and KJ Cantrell. 2006. "Residual Waste from Hanford Tanks 241-C-203 and 241-C-204. I. Solids Characterization." Environmental Science and Technology 40(12):3749-3754, and sup. info. file. 
  • 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. 
  • 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 AssessmentPNNL-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






  • 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, 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 AssessmentPNNL-13043 Rev.2, Pacific Northwest National Laboratory, Richland, WA. 
  • McKinley JP, CJ Zeissler, JM Zachara, RJ Serne, RM Lindstrom, HT Schaef, and RD Orr. 2001. "Distribution and Retention of 137Cs in Sediments at the Hanford Site, Washington." Environmental Science and Technology 35(17):3433-3441. 
  • Strachan DM, RD Scheele, JP Icenhower, AE Kozelisky, RL Sell, VL Legore, HT Schaef, MJ O'Hara, CF Brown, and WC Buchmiller. 2001. The Status of Radiation Damage ExperimentsPNNL-13721, Pacific Northwest National Laboratory, Richland, WA. 


  • 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, JP Icenhower, PF Martin, DR Rector, HT Schaef, EA Rodriguez, and JL Steele. 2000. Low-Activity Waste Glass Studies: FY2000 Summary ReportPNNL-13381, Pacific Northwest National Laboratory, Richland, WA. 
  • 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. 


  • 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. 

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