Mercury adsorption on PdAu, PdAg and PdCu alloys

Main Group Chemistry

Volumn 7, Issue 3, 2008, Pages 205-215

  Aboud, Shela ^a   Sasmaz, Erdem ^a   Wilcox, Jennifer ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

Alloys; Binding energy; Density function theory; Hg; Mercury; PdAg; PdAu; PdCu

Indexed keywords

EID: 67049149524     PISSN: 10241221     EISSN: 17451167     Source Type: Journal    
DOI: 10.1080/10241220802465213     Document Type: Article

References (35)

1. J.M.D. Tascon, Recent Developments in the International Scenario of Coal Science, Fuel 79, 461 (2000).
2. International Energy Outlook (2008). http://www.eia.doe.gov/oiaf/ieo/coal.html
3. Clean Air Mercury Rule. www.epa.gov/air/mercuryrule
4. J.D. Monnell, R.D. Vidic, D. Gang, A. Karash and E.J. Granite, in Recent Advances in Trace Metal Capture Using Micro and Nano-Scale Sorbents, Proceedings of the 23rd Pittsburgh Coal Conference, Pittsburgh, PA, 2006.
5. E.J. Granite, H.W. Pennline and R.A. Hargis, Novel Sorbents for Mercury Removal from Flue Gas, Ind. Eng. Chem. Res. 39, 1020 (2000).
6. B. Ghorishi and B.K. Gullett, Sorption of Mercury Species by Activated Carbons and Calcium- Based Sorbents: Effect of Temperature, Mercury Concentration and Acid Bases, Waste Mgmt. Res. 16, 582 (1998).
7. A.P. Jones, J.W. Hoffmann, D.N. Smith, J. Thomas, I. Feeley and J.T. Murphy, DOE/NETL's phase II mercury control technology field testing program, research and development solutions, LLC, U.S. Department of Energy, National Energy Technology Laboratory, U.S. Department of Energy, Office of Fossil Energy (2006).
8. S.V. Krishnan, B.K. Gullett and W. Jozewicz, Sorption of Elemental Mercury by Activated Carbons, Environ. Sci. Technol. 28, 1506 (1994).
9. R.D. Vidic and D.P. Siler, Vapor-Phase Elemental Mercury Adsorption by activated Carbon Impregnated with Chloride and Chelating Agents, Carbon 39, 3 (2001).
10. B. Padak, M. Brunetti, A. Lewis and J. Wilcox, Mercury Binding on Activated Carbon, Environ. Prog. 25, 319 (2006).
11. D. Styris, L.J. Prell, D.A. Redfield, J.A. Holcombe, D.A. Bass and V. Majidi, Mechanisms of Selenium Vaporization with Palladium Modifiers Using Electrothermal Atomization and Mass Spectrometric Detection, Anal. Chem. 63, 508 (1991)
12. J.P. Matousek, R. Iavetz, K.J. Powell and H. Louie, Mechanistic Studies on the Trapping and Desorption of Volatile Hydrides and Mercury for their Determination by Electrothermal Vaporization-Inductively-Coupled Plasma Mass Spectrometry, Spectrochim. Acta B 57, 147 (2002)
13. B. Docekal, J. Dedina and V. Krivan, Radiotracer Investigation of Hydride Trapping Efficiency within a Graphite Furnace, Spectrochim. Acta B 52, 787 (1997).
14. S.V. Krishnan, B.K. Gullett and W. Jozewicz, Sorption of Elemental Mercury by Activated Carbons, Environ. Sci. Technol. 28, 1506 (1994).
15. S. Poulston, E.J. Granite, H.W. Pennline, C.R. Myers, D.C. Stanko, H. Hamilton, L. Rowsell, T. Ilkenhans and W. Chu, Metal Sorbents for High Temperature Mercury Capture from Flue Gas, Fuel 86, 2201 (2007).
16. E.J. Granite, C.R. Myers, W.P. King, D.C. Stanko, H.W. Pennline and W. Henry, Sorbents for Mercury Capture from Fuel Gas with Application to Gasification Systems, Ind. Eng. Chem. Res. 45, 4844 (2006).
17. J.A. Steckel, Density Functional Theory Study of Mercury Adsorption on Metal Surfaces, Phys. Rev. B. 77, 115412 (2008).
18. A.L. Neme, W.C. Wagner and W. O'Brien, Effects of Palladium Addition on Emission of Mercury Vapor from Dental Amalgam, Dent. Mater. 15, 382 (1999)
19. M. Koike, J.L. Ferracane, J.D. Adey, H. Fujii and T. Okabe, Initial Mercury Evaporation from Experimental Ag-Sn-Cu Amalgams Containing Pg, Biomaterials 25, 3147 (2004)
20. K.I. Chen, C.P. Ju and J.H. Chern Lin, Effect of Particle Configuration on Structure and Properties of Dispersed Pd-Containing Dental Amalgam, Biomaterials 20, 1851 (1999).
21. D.R. Alfonsa, A.V. Cugini and D.S. Sholl, Density Function Studies of Sulfur Binding on Pd, Cu and Ag and Their Alloys, Surf. Sci. 546, 12 (2003).
22. G. Kresse and J. Furthmuller, Efficiency of Ab-Inition Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set, Comput. Mater. Sci. 6, 15 (1996)
23. G. Kresse and J. Hafner, Ab initio Molecular Dynamics for Open-Shell Transition Metals, Phys. Rev. B 48,13115 (1993)
24. G. Kresse and J. Hafner, Ab initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor in Germanium, Phys. Rev. B 49, 14251 (1994).
25. D. Vanderbilt, Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism, Phys. Rev. B. 41, 7892 (1990)
26. G. Kresse and J. Hafner, Norm-Conserving and Ultrasoft Pseudopotentials for First-Row and Transition Elements, J. Phys. Condens. Matter. 6, 8245 (1994).
27. J.P. Perdew and Y. Wang, Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy, Phys. Rev. B. 45, 13244 (1992).
28. P. Schwerdtfeger, R. Wesendrup, G.E. Moyano, A.J. Sadlej, J. Greif and F. Hensel, The Potential Energy Curve and Dipole Polarizability Tensor of Mercury Dimer, J. Chem. Phys. 115, 7401 (2001)
29. G. Kresse and J. Hafner, Ab Initio Simulation of the Metal/Nonmetal Transition in Expanded Fluid Mercury, Phys. Rev. B. 55, 7539 (1997)
30. N. Gaston and P. Schwerdtfeger, From the van der Waals Dimer to the Solid State of Mercury with Relativistic Ab Initio and Density Functional Theory, Phys. Rev. B. 74, 024105 (2006)
31. 2 Excited in a Supersonic Jet, Chem. Phys. Lett. 219, 161 (1994).
32. M. Methfessel and A.T. Paxton, High-Precision Sampling for Brillouin-Zone Integration in Metals, Phys. Rev. B. 40, 3616 (1989).
33. H.J. Monkhorst and J.D. Pack, Special Points for Brillouin-Zone Integrations, Phys. Rev. B. 13, 5188 (1976).
34. W.B. Pearson, A Handbook of Lattice Spacing and Structure of Metal and Alloys, Vol 2, (Pergamon Press, NY, USA, 1967).
35. T.C. Leung, C.L. Kao, W.S. Su, Y.J. Feng and C.T. Chan, Relationship Between Surface Dipole, Work Function and Charge Transfer: Some Exceptions to an Established Rule, Phys. Rev. B. 68, 195408 (2003).