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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
  • 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
  • Qafoku O, DA Dixon, KM Rosso, HT Schaef, ME Bowden, BW Arey, and AR Felmy. 2015. "Dynamics of Magnesite Formation at Low-Temperature and High pCO2 in Aqueous Solution." Environmental Science & Technology 49(17):10736-10744.  doi:10.1021/acs.est.5b02588
  • 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, 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
  • 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


  • 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


  • 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


  • 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



  • Krupka KM, WJ Deutsch, HT Schaef, BW Arey, SM Heald, MJ Lindberg, and KJ Cantrell. 2007. "Characterization of Solids in Residual Wastes from Underground Storage Tanks at the Hanford Site, Washington, U.S.A." In 30th International Symposium on Scientific Basis for Nuclear Waste Management, Boston, November 27 - December 1, 2006. Materials Research Society Symposium Proceedings, vol. 985, ed. D.E. Dunn, C. Poinssot, and B. Begg, pp. 473-482.  Materials Research Society, Warrendale, PA. 


  • 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. 
  • 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


  • Ainsworth CC, JM Zachara, KB Wagnon, SG McKinley, C Liu, SC Smith, HT Schaef, and PL Gassman. 2005. "Impact of Highly Basic Solutions on Sorption of Cs+ to Subsurface Sediments from the Hanford Site, USA." Geochimica et Cosmochimica Acta 69(20):4787-4800. 
  • Deutsch WJ, KM Krupka, KJ Cantrell, CF Brown, MJ Lindberg, HT Schaef, SM Heald, BW Arey, and RK Kukkadapu. 2005. Advances in Geochemical Testing of Key Contaminants in Residual Hanford Tank Waste PNNL-15372, Pacific Northwest National Laboratory, Richland, WA. 




  • Strachan DM, RD Scheele, AE Kozelisky, RL Sell, HT Schaef, MJ O'Hara, CF Brown, and WC Buchmiller. 2002. "Radiation Damage in Titanate Ceramics Used for Plutonium Immobilization." In Scientific Basis for Nuclear Waste Management XXV, vol. 713, pp. 461-468.  Materials Research Society, Warrendale, PA. 




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