By Christopher D. Taylor, Philippe Marcus

Presents possibilities for making major advancements in fighting destructive results that may be as a result of corrosion

  • Describes suggestions of molecular modeling within the context of fabrics corrosion
  • Includes contemporary examples of purposes of molecular modeling to corrosion phenomena through the text
  • Details how molecular modeling may give insights into the multitude of interconnected and intricate methods that include the corrosion of metals
  • Covered purposes contain diffusion and electron move at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating floor chemistry, and houses of passive films
  • Presents present demanding situations and certain advancements during this box for the future

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Additional info for Molecular Modeling of Corrosion Processes: Scientific Development and Engineering Applications

Sample text

208. M. Legrand, B. -J. Legendre and P. Marcus, Corros. Sci. 44, 773–790 (2002). 209. O. K. Rice, Statistical Mechanics, Thermodynamics and Kinetics. (Freeman, New York, NY, 1967). 210. R. V. Pappu, R. K. Hart and J. W. Ponder, J. Phys. Chem. B 102, 9725–9742 (1998). 211. F. Jensen, Introduction to Computational Chemistry. (Wiley, New York, NY, 1999). 212. C. D. Taylor, M. J. Janik, M. Neurock and R. G. Kelly, Mol. Simul. 33 (4–5), 429–436 (2007). 213. R. A. van Santen, M. Neurock and S. G. Shetty, Chem.

Chem. Phys. 101, 10915–10924 (1994). 121. S. Walbran, A. Mazzolo, J. W. Halley and D. L. Price, J. Chem. Phys. 109, 8076 (1998). 122. A. B. Anderson and T. V. Albu, J. Am. Chem. Soc. 121, 11855–11863 (1999). 123. A. B. Anderson and T. V. Albu, Electrochem. Commun. 1, 203–206 (1999). 124. P. Biedermann, E. Torres and A. , 2007). 125. R. A. Sidik and A. B. Anderson, J. Electroanal. Chem. 528, 69–76 (2002). 126. F. U. Renner, A. Stierle, H. Dosch, D. M. -L. Lee and J. Zegenhagen, Nature 439, 707– 710 (2006).

69. E. Deltombe, N. de Zoubov and M. Pourbaix, Atlas of Electrochemical Equilibria in Aqueous Solution. (NACE, Houston, TX, 1974). 70. -H. Strehblow and P. Marcus, Fundamentals of Corrosion, in Corrosion Mechanisms in Theory and Practice. 3rd edition, Edited by P. Marcus (CRC Press, 2012), pp. 1–104. 71. (a) J. O. M. Bockris, A. K. N. Reddy and M. Gamboa-Aldeco, 2A (2000). (b) Handbook of Chemistry and Physics. (CRC Press, Cleveland, OH, 1977–1978). 72. E. Protopopoff and P. Marcus, J. Vac. Sci.

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