پديدآورندگان :
Keshavarzi M. m.keshavarz1388@gmail.com Department of Chemistry, ShahidBahonar University of Kerman, Kerman-76175, Kerman, Iran , Jamalizadeh E. jamalizadeh@uk.ac.ir Department of Chemistry, ShahidBahonar University of Kerman, Kerman-76175, Kerman, Iran , Jafari A. H. jafari.a.h@uk.ac.ir Department of Materials Science and Metallurgy, ShahidBahonar University of Kerman,
كليدواژه :
Corrosion , iron , Cluster , polarized continuum model , HCl solution
چكيده فارسي :
Th e purpose of this investigation was to study the corrosion behaviour of iron in HCl and NaCl media, by means of theoretical approaches. Th e quantum chemical calculation was performed to investigate interactions between metallic atoms and solution ions at metal-solution interface using cluster model. Calculations indicated that in addition to chloride ion, hydrogen ion (H+) adsorb on the iron surface in acidic solution. Th us corrosion of iron in HCl environment was more than in NaCl environment. Interaction data corroborate well with experimental results
