Supercritical Fluids at Pacific Northwest National Laboratory
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    Review date: July 24, 2003
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    Publications


    The Supercritical Fluid group at PNNL has published more than 100 papers in the area of supercritical fluids in the peer-reviewed scientific literature. Some current titles and abstracts can be reviewed below. They have presented nearly 100 invited and submitted papers at national and international meetings dealing with supercritical fluids. Publications are grouped by topic:

    General
    NMR/Infrared/UV-Vis Spectroscopy in Supercritical Fluids
    Microemulsions in Supercritical Fluids
    Rapid Expansion of Supecritical Fluid Solutions
    Textile Processing in Supercritical Fluids
    X-ray Spectroscopy in Supercritical Fluids

    General

    Extraction of Metal Ions from Liquid and Solid Materials by Supercritical Carbon Dioxide. KE Laintz, CM Wai, CR Yonker, and RD Smith. Anal. Chem. 64:2875-2878 (1992).

    Reaction Chemistries in Supercritical Fluid Solutions. CR Yonker, SL Wallen and SC Linehan. J. Microcolumn Separations 19(1):153-160 (1998).

    UV, EPR, X-ray and Related Spectroscopic Techniques. C.R. Yonker, J.C. Linehan, and J.L. Fulton. 1999. Chemical Synthesis Using Supercritical Fluids, P.G. Jessop and W. Leitner, Editors, Wiley-VCH, New York, 195-209.

    NMR/Infrared/UV-Vis Spectroscopy

    Short-pathlength, High-pressure Flow Cell for Static and Time-Resolved Infrared Spectroscopy Suitable for Supercritical Fluid Solutions including Hydrothermal Systems. Hoffmann, M. M.; Addleman, R. S., Fulton, J. L., Rev. Sci Instruments,, 71, 1552-1556, (2000).

    Fluid Structure in Supercritical Xenon by Nuclear Magnetic Resonance Spectroscopy and Small Angle X-ray Scattering. DM Pfund, TS Zemanian, JC Linehan, JL Fulton and CR Yonker. J. Phys. Chem. 98:11846-11857 (1994).

    Infrared and Molecular Dynamics Study of D2O Rotational Relaxation in Supercritical CO2 and Xe. LE Bowman, BJ Palmer, BC Garrett, JL Fulton, CR Yonker, DM Pfund, and SL Wallen. J. Phys. Chem. 100(47):18327-18334 (1996).

    High-Pressure On-Line Photolysis with NMR Detection. CR Yonker and SL Wallen. Appl. Spectro. 50(6):781-784 (1996).

    A New Apparatus for the Convenient Measurement of NMR Spectra in High-Pressure Liquids. CR Yonker, TS Zemanian, SL Wallen, JC Linehan, and JA Franz. J. Magnetic Resonance, Series A 113:102-107 (1995).

    High-Pressure NMR Study of Metal Complexes in Supercritical Fluids. CR Yonker, SL Wallen, and JC Linehan. J. Supercritical Fluids 8:250-254 (1995).

    A Kinetic Study of the Thermal Loss of Ethylene from CpNb(CO)3(h2-C2H4) in Supercritical Fluid Solvents, JC Linehan, CR Yonker, JT Bays, and ST Autrey. J. Am. Chem. Soc., 120, 5826-5827.

    The Use of High Pressure NMR for the Determination of Phase Behavior for Select Binary Solvent Systems. CR Yonker, JC Linehan, and JL Fulton. J. Supercritical Fluids, 14, 9-16.

    Pressure and Temperature Effects on the Hydrogen Bond Structures of Liquid and Supercritical Fluid Methanol. S Bai and CR Yonker. J. Phys. Chem. A, 102, 8641-8647.

    Effect of Fluorine Substitution, Pressure and Temperature on the Tautomeric Equilibria of Acetylacetonate b-diketones. SL Wallen, CR Yonker, CL Phelps, and CM Wai. J. Chem. Soc., Faraday Trans., 93(14):2391-2394 (1997).

    Density and Temperature Effects on the Hydrogen Bond Structure of Liquid Methanol. SL Wallen, BJ Palmer, BC Garrett, and CR Yonker. J. Phys. Chem. 100:3959-3964 (1996).

    In Situ NMR Observations of the Photolysis of Cymantrene and Methylcymantrene in Supercritical Fluids: A New Technique Using High-Pressure NMR. JC Linehan, SL Wallen, CR Yonker, TE Bitterwolf, and JT Bays. J. Am. Chem. Soc. 119:10170-10177 (1997)

    Effects of Pressure and Temperature on the Dynamics of Liquid tert-Butyl Alcohol. CR Yonker, SL Wallen, BJ Palmer, and BC Garrett. J. Phys. Chem. A, 101(50):9564-9570 (1997)

    Reaction Chemistries in Supercritical Fluid Solutions. CR Yonker, SL Wallen and SC Linehan. J. Microcolumn Separations 19(1):153-160 (1998).

    Kinetics of Deuterium Exchange on Resorcinol in D2O at High Pressure and High Temperature. S. Bai, B. J. Palmer and C. R. Yonker. 1999. J. Phys. Chem.A, 104, 53-58.

    Solution Dynamics of Perfluorobenzene, Benzene, and Perdeuterobenzene in Carbon Dioxide as a Function of Pressure and Temperature C.R. Yonker. 1999. J. Phys. Chem.A, 104, 685-691.

    1H Dynamic Nuclear Polarization in Supercritical Ethylene at 1.4T R.A. Wind, S. Bai, J.Z. Hu, M.S. Solum, P.D. Ellis, D.M. Grant, R.J. Pugmire, C.M.V. Taylor and C.R. Yonker. 2000. J. Magn. Reson., 143, 233-239.

    UV, EPR, X-ray and Related Spectroscopic Techniques. C.R. Yonker, J.C. Linehan, and J.L. Fulton. 1999. Chemical Synthesis Using Supercritical Fluids, P.G. Jessop and W. Leitner, Editors, Wiley-VCH, New York, 195-209.

    Microemulsions in Supercritical Fluids

    Synthesizing and Dipsersing Silver Nanoparticles in a Water-in-Supercritical Carbon Dioxide Microemulsion. M. Ji, X. Chen, C. M. Wai, J. L. Fulton, J. Am. Chem. Soc., 121, 2631-2632, (1999).

    Surfactants and Microemulsion in Supercritical Fluids. J. McHardy and S. P. Sawan, Eds. Noyes Publications, New Jersey. Chapter 5. 1998.

    Structure and Reactions in Microemulsions Formed in Near-critical and Supercritical Fluids. JL Fulton. In Handbook of Microemujlsion Science and Technology, P. Kumar, Ed. Marcel Dekker, New York, pp 629-650 (1999).

    Aggregation of Amphiphilic Molecules in Supercritical Carbon Dioxide: A Small Angle X-Ray Scattering Study. JL Fulton, DM Pfund, JB Mcclain, TJ Romack, EE Maury, JR Combes, ET Samulski, JM DeSimone, and M Capel. Langmuir 11 , 4241-4249 (1995).

    Dramatic Density-Induced Structural Changes in Microemulsions Formed in Near-Critical and Supercritical Solvents.KW Hutchenson and NR Foster, Eds. ACS Symposium Series Vol. 608, 111-125 (1995).

    Microemulsions in Supercritical Hydrochlorofluorocarbons. K Jackson and JL Fulton. Langmuir 1 2(22), 5289-5295 (1996).

    Rapid Expansion of Supercritical Fluid Solutions

    Matson, D. W., Smith, R. D. 1989, "Supercritical Fluid Technologies for Ceramic-Processing Applications", J. Am. Ceram. Soc., 72:871-881.

    "Rapid Expansion of Supercritical Fluid Solutions; Solute Formation of Powders, Thin Films and Fibers", D, W. Matson, J. L. Fulton, R. C. Petersen, and R. D. Smith, Indust. Eng. Chem Res., 26, 2298-2306 (1987).

    "Performance of Capillary Restrictors in Supercritical Fluid Chromatography", R. D. Smith, J. L. Fulton, R. C. Petersen, A. J. Kopriva, and B. W. Wright, Anal. Chem., 58, 2057-2064 (1986).

    "Rapid Precipitation of Low Vapor Pressure Solids from Supercritical Fluid Solutions: The Formation of Thin Films and Powders", R. C. Petersen, D. W. Matson, R. D. Smith, J. Amer. Chem. Soc., 108, 2100-2102, (1986).

    "Formation of Silica Powders from the Rapid Expansion of Supercritical Solutions". D. W. Matson, R. C. Petersen, R. D. Smith, Adv. Ceramic Mat., 1, 242-246, (1986).

    "The Formation of Polymer Fibers from the Rapid Expansion of Supercritical Fluid Solutions", R. C. Petersen, D. W. Matson, R. D. Smith, Polym. Eng. and Science, 27, 1693-1697, (1987)

    "Production of Powders and Films by the Rapid Expansion of Supercritical Solutions", D. W. Matson, R. C. Petersen, R. D. Smith, J. Mater. Sci., 22, 1919-1928, (1987).

    "The Production of Polycarbonsilane Powders and Fibers during Rapid Expansion of Supercritical Fluid Solutions", D. W. Matson, R. C. Petersen, R. D. Smith, Materials Lett., 4, 429-432, (1986).

     

    Textile Processing in Supercritical Fluids

    Sizing and Desizing Polyester/Cotton Blend yarns Using Liquid Carbon Dioxide. LE Bowman, C Caley, R Hallen, and JL Fulton.Textile Research Journal 66, 795-802 (1996).

    Microemulsions in Supercritical Hydrochlorofluorocarbons.K Jackson and JL Fulton. Langmuir 1 2(22), 5289-5295 (1996).

    X-ray Spectroscopy in Supercritical Fluids

    Rubidium Ion Hydration in Ambient and Supercritical Water. JL Fulton, DM Pfund, SL Wallen, M. Newville, EA Stern, and Y Ma. J. Chem. Phys. 105, 2161-2166 (1996).

    Transition in the Ni2+ Complex Structure from Six- to Four-Coordinate upon Formation of Ion Pair Species in Supercritical Water: An XAFS, NIR and MD Study. M. M. Hoffmann, J. G. Darab, B. J. Palmer, and J. L. Fulton, J. Phys. Chem. A, 103, 8471-8482, (1999)

    New Experimental Developments for in situ XAFS Studies of Chemical Reactions under Hydrothermal Conditions. Hoffmann, M. M.; Darab, J. G.; Heald, S. M.; Yonker, C. R.; Fulton, J. L., Chemical Geology, 167, 89-103, (2000)

    Copper(I) and Copper(II) Coordination Structure under Hydrothermal Condition at 325°C: An XAFS, and MD Study. Fulton, J. L., Hoffmann, M. M., Darab, J. G., Palmer, B. J., Stern, E. A., J. Phys. Chem. A, (2000), in press.

    An X-ray Absorption Fine Structure Study of Copper(I) Chloride Coordination Structure in Water up to 325°C. J. L. Fulton, M. M. Hoffmann, and J. G. Darab, Chemical Physics Letters, (2000) In press.

    A High-Pressure, Capillary X-ray Absorption fine Structure Cell for Studies of Liquid and Supercritical Fluid Solutions. SL Wallen, DM Pfund, JL Fulton, CR Yonker, M Newville, and Y Ma. Rev. Sci. Instruments 67, 2843-2845 (1996).

    Aggregation of Amphiphilic Molecules in Supercritical Carbon Dioxide: A Small Angle X-Ray Scattering Study. JL Fulton, DM Pfund, JB Mcclain, TJ Romack, EE Maury, JR Combes, ET Samulski, JM DeSimone, and M Capel. Langmuir 11 , 4241-4249 (1995).

    An XAFS Study of Strontium Ions and Krypton in Supercritical Water. DM Pfund, JG Darab, and JL Fulton. J. Phys. Chem. 98, 13102-13107 (1994).

    Fluid Structure in Supercritical Xenon by Nuclear Magnetic Resonance Spectroscopy and Small Angle X-ray Scattering. DM Pfund, TS Zemanian, JC Linehan, JL Fulton and CR Yonker. J. Phys. Chem. 98:11846-11857 (1994).

    Direct Modeling of EXAFS Spectra from Molecular Dynamics Simulations. BJ Palmer, DM Pfund, and JL Fulton. J. Phys. Chem. 100(32), 13393-13398 (1996).

    "The Ion Pairing and Hydration Structure of Ni2+ in Supercritical Water at 425°C Determined by X-Ray Absorption Fine Structure and Molecular Dynamics Studies". SL Wallen, BJ Palmer, and JL Fulton. J. Chemical Physics, 108(10):4039-4046 (1998).

    Hydration of Bromide Ion in Supercritical Water: An X-ray Absorption Fine Structure and Molecular Dynamics Study. SL Wallen, BJ Palmer, DM Pfund, JL Fulton, M Newville, Y Ma and EA Stern. J. Physical Chemistry A, 101(50):9632-9640 (1997).

    High-Pressure, Capillary X-ray Absorption Fine Structure Cell for Studies of Liquid and Supercritical Fluid Solutions. SL Wallen, DM Pfund, JL Fulton, CR Yonker, M Newville, and Y Ma. Rev. Sci. Instrum. 67(8):2843-2845 (1996).


    For information about supercritical fluid capabilities at PNNL,
    please contact Clement Yonker, at (509) 372-4748, clem.yonker@pnl.gov.