Modeling electrochemistry in metallurgical processes

JOM

Volumn 59, Issue 5, 2007, Pages 35-43

  Powell, Adam C ^a   Shibuta, Yasushi ^b   Guyer, Jonathan E ^c   Becker, Chandler A ^c  

^a Veryst Engineering LLC   (United States)

^b UNIVERSITY OF TOKYO   (Japan)

^c NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; MATHEMATICAL MODELS; METALLURGY; PLATING; SMELTING;

METALLURGICAL PROCESS;

ELECTROCHEMISTRY;

EID: 36348968293     PISSN: 10474838     EISSN: 15431851     Source Type: Journal    
DOI: 10.1007/s11837-007-0063-y     Document Type: Review

References (56)

1. Max Planck, "Ueber die Erregung von Electricit at und Wärme in Electrolyten," Ann. Physik. u. Chem., 39 (1890), p. 161.
2. Elsyca, www.elsyca.com/.
3. The identification of any commercial product or trade name does not imply endorsement or recommendation by the National Institute of Standards and Technology.
4. Y. Shibuta, Y. Okajima, and T. Suzuki, 'A Phase-Field Simulation of Bridge Formation Process in a Nanometer-Scale Switch," Scripta Materialia, 55 (2006), pp. 1095-1098.
5. Y. Okajima, Y. Shibuta, and T. Suzuki, "Phase-Field Simulation of an Electrodeposition Process," Electrochemistry and Thermodynamics on Materials Processing for Sustainable Production: Masuko Symposium, ed. Shu Yamaguchi (Tokyo: The University of Tokyo, 2006), pp. 829-834.
6. David Dussault, "A Diffuse Interface Model of Transport Limited Electrochemistry in Two-Phase Fluid Systems with Application to Steelmaking" (S.M. Thesis, Massachusetts Institute of Technology, Department of Mechanical Engineering, January 2002).
7. David Dussault and Adam C. Powell, "Phase Field Modeling of Electrolysis in a Slag or Molten Salt," Proc. Mills Symp. (London: The Institute of Materials, 2002), pp. 359-371.
8. Adam C. Powell and David Dussault, "Detailed Mathematical Modeling of Liquid Metal Streamer Formation and Breakup," Metallurgical and Materials Processing Principles and Technologies (Yazawa International Symposium)-Vol. 3: Aqueous and Electrochemical Processing, ed. F. Kongoli et al. (Warrendale, PA: TMS, 2003), pp. 235-250.
9. Wanida Pongsaksawad, Numerical Modeling of Interface Dynamics and Transport Phenomena in Transport-Limited Electrolysis Processes (Ph.D. Thesis, Massachusetts Institute of Technology, Department of Materials Science and Engineering, May 2006).
10. Adam C. Powell, Wanida Pongsaksawad, and Uday B. Pal, "Phase Field Modeling of Phase Boundary Shape and Topology Changes Due to Electrochemical Reactions in Solid and Liquid Systems," Advanced Processing of Metals and Materials Vol. 3: Thermo and Physicochemical Principles: Special Materials; Aqueous and Electrochemical Processing ed. F. Kongoli (Warrendale, PA: TMS, 2006), pp. 623-640.
11. Adam C. Powell, Wanida Pongsaksawad, and Uday B. Pal, "Phase Field Modeling of Phase Boundary Shape and Topology Changes Due to Electrochemical Reactions in Solid and Liquid Systems, Electrochemistry and Thermodynamics on Materials Processing for Sustainable Production: Masuko Symposium, ed. Shu Yamaguchi (Tokyo: University of Tokyo, November 2006), pp. 793-814.
12. Wanida Pongsaksawad, Adam C. Powell, and David Dussault, "Phase Field Modeling of Transport-Limited Electrolysis in Solid and Liquid States," J. Electrochem. Soc., 154 (6) (June 2007).
13. S.G. Kim, W.T. Kim, and T. Suzuki, "Phase-Field Model for Binary Alloys," Phys. Rev. E, 60 (6) (1999), pp.
14. K. Terabe et al., "Formation and Disappearance of a Nanoscale Silver Cluster Realized by Solid Electrochemical Reaction," J. Appl. Phys., 91 (12) (2002), pp. 10110-10114.
15. T Sakamoto et al., "Nanometer-Scale Switches Using Copper Sulfide," Appl. Phys. Lett., 82 (18) (2003), pp. 3032-3034.
16. Y. Sawada, A. Dougherty, and J.P. Gollub, "Dendritic and Fractal Patterns in Electrolytic Metal Deposits," Phys. Rev. Lett., 56 (12) (1986), pp. 1260-1263.
17. F. Sagues, M.Q. Lopez-Salvans, and J. Claret, "Growth and Forms in Quasi-Two-Dimensional Electrocrystallization," Physics Reports, 337 (2000), pp. 97-115.
18. G. Gonzalez et al., "Viscosity Effects in Thin-Layer Electrodeposition," Journal of the Electrochemical Society 148 (7) (2001), pp. C479-C487.
19. C. Leger, J. Elezgaray, and F. Argoul, "Internal Structure of Dense Electrodeposits," Phys. Rev. E, 61 (5) (2000), pp. 5452-5463.
20. M. Matsushita et al., "Fractal Structure of Zinc Metal Leaves Grown by Electrodeposition," Phys. Rev. Lett, 53 (3) (1984), pp. 286-289.
21. J. Elezgaray, C. Leger, and F. Argoul, "Dense Branching Morphology in Electrodeposition Experiments: Characterization and Mean-Field Modeling," Phys. Rev. Lett., 84 (14) (2000), pp. 3129-3132.
22. M.O. Bernard, M. Plapp, and J.F. Gouyet, "Mean-Field Kinetic Lattice Gas Model of Electrochemical Cells," Phys. Rev. E, 68 (2003), p. 011604.
23. Y. Shibuta, Y. Okajima, and T. Suzuki, in preparation.
24. D.P. Barkey, R.H. Muller, and C.W. Tobias, "Roughness Development in Metal Electrodeposition: II. Stability Theory," J. Electrochem. Soc., 136 (1989), pp. 2207-2214.
25. P.C. Andricacos et al., "Damascene Copper Electroplating for Chip Interconnections," IBM J. Res. Develop., 42 (5) (1998), pp. 567-574.
26. D. Josell et al., "Superconformal Electrodeposition in Submicron Features," Phys. Rev. Lett., 87 (1) (2001), p. 016102.
27. D. Wheeler, D. Josell, and T.P. Moffat, "Modeling Superconformal Electrodeposition Using the Level Set Method," J. Electrochem. Soc., 150 (5) (2003), pp. C302-C310.
28. T.P. Moffat, D. Wheeler, and D. Josell, "Superfilling and the Curvature Enhanced Accelerator Coverage Mechanism," Interface (Winter 2004), pp. 46-52.
29. T.P. Moffat et al., "Superconformal Film Growth: Mechanism and Quantification," IBM J. Res. Develop., 49 (1) (2005), pp. 19-36.
30. D. Josell, D. Wheeler, and T.P. Moffat,"Superconformal Deposition by Surfactant-Catalyzed Chemical Vapor Deposition," Electrochemical and Solid State Letters, 5 (3) (2002), pp. C44-C47.
31. G.M. Gouy, "Sur la Constitution de la Charge Électrique à la Surface d'un Électrolyte," Compt. Rend., 149 (1910), p. 654.
32. David Leonard Chapman, "A Contribution to the Theory of Electrocapillarity," Phil. Mag., 25 (1913), p. 475.
33. P. Debye and E. Hückel, "Zur Theorie der Elektrolyte I. Gefrierpunktserniedrigung und verwandte Erscheinungen," Physik. Z., 24 (1923), pp. 185-206.
34. Otto Stern, "Zur Theorie der Elektrolytischen Doppelschicht," Z. Elektrochem., 30 (1924), p. 508.
35. Zixiang Tang, L.E. Scriven, and H.T. Davis, "A Three-Component Model of the Electrical Double Layer," J. Chem. Phys., 97 (1992), pp. 494-503.
36. J.E. Guyer et al., "Phase Field Modeling of Electrochemistry I: Equilibrium," Phys. Rev. E, 69 (2004), p. 021603.
37. J.E. Guyer et al., "Phase Field Modeling of Electrochemistry II: Kinetics," Phys. Rev. E, 69 (2004), p. 021604.
38. G. Valette, "Double Layer on Silver Single Crystal Electrodes in Contact with Electrolytes Having Anions Which are Slightly Specifically Adsorbed Part II. The (100) Face," J. Electroanal. Chem., 138 (1982), pp. 37-54.
39. M.E.J. Newman and G.T Barkema, Monte Carlo Methods in Statistical Physics (Oxford, U.K.: Clarendon Press, 1999).
40. D.C. Rapaport, The Art of Molecular Dynamics Simulation, second edition (Cambridge, U.K.: Cambridge University Press, Cambridge, 2004).
41. D.G. Pettifor, Bonding and Structure of Molecules and Solids (Oxford, U.K.: Clarendon Press, 1995).
42. O.M. Magnusson, "Ordered Anion Adlayers on Metal Electrode Surfaces," Chem. Rev., 102 (2002), pp. 679-725.
43. N. Garcia-Araez at al., "Competitive Adsorption of Hydrogen and Bromide on Pt(100): Mean-Field Approximation vs. Monte Carlo Simulations,", J. Electroanalytical Chem., 588 (2006), pp. 1-14.
44. S. Frank and P.A. Rikvold, "Kinetic Monte Carlo Simulations of Electrodeposition: Crossover from Continuous to Instantaneous Homogeneous Nucleation within Avrami's Law," Surf. Sci., 600 (2006), pp. 2470-2487.
45. A. Saedi, "A Study on Mutual Interaction between Atomistic and Macroscopic Phenomena during Electrochemical Processes Using Coupled Finite Difference-Kinetic Monte Carlo Model: Application to Potential Step Test in Simple Copper Sulfate Bath," J. Electroanalytical Chem., 588 (2006), pp. 267-284.
46. R. Guidelli, "Recent Developments in Models for the Interface between a Metal and an Aqueous Solution," Electrochimica Acta, 45 (2000), pp. 2317-2338.
47. W.R. Fawcett and T.G. Smagala, "New Developments in the Theory of the Diffuse Double Layer," Langmuir, 22 (2006), pp. 10635-10642.
48. E. Spohr, "Some Recent Trends in Computer Simulations of Aqueous Double Layers," Electrochimica Acta, 49 (2003), pp. 23-27.
49. R.R. Netz, "Theoretical Approaches to Charged Surfaces," J. Phys.-Cond. Matter, 16 (2004), pp. S2353-S2368.
50. M.T.M. Koper, "Combining Experiment and Theory for Understanding Electrocatalysis," J. Electroanalytical Chem., 574 (2005), pp. 375-386.
51. P. Taboada-Serrano, S. Yiacoumi, and C. Tsouris, "Behavior of Mixtures of Symmetric and Asymmetric Electrolytes Near Discretely Charged Planar Surfaces: A Monte Carlo Study," J. Chem. Phys., 123 (2005), p. 054703.
52. C. Hartnig and M.T.M. Koper, "Molecular Dynamics Simulation of Solvent Reorganization in Ion Transfer Reactions near a Smooth and Corrugated Surface," J. Phys. Chem. B, 108 (2004), pp. 3824-3827.
53. Z.C. Wang et al., in preparation.
54. A. Migani and F. Illas, "A Systematic Study of the Structure and Bonding of Halogens on Low-Index Transition Metal Surfaces," J. Phys. Chem. B, 110 (2006), pp. 11894-11906.
55. 2 O Interface," J. Electrochemical Soc., 153 (2006), pp. E207-E214.
56. C.D. Taylor and M. Neurock, 'Theoretical Insights into the Structure and Reactivity of the Aqueous/Metal Interface," Current Opinion in Solid State and Materials Science, 9 (2005), pp. 49-65.