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An improved procedure for the construction of ion-pair distribution functions within the Debye-Hückel framework

✍ Scribed by I.L. Cooper; J.A. Harrison

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 387 KB
Volume: 122
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)87269-9

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✦ Synopsis

A rccen~ly proposed scheme Ior rhs conslrucrion of physicolly realiskz pair functions Tar Ihc dislrihurion of ions about a centrd rderence ion within the rramcwork or Ihc Dcbyc-Huckel model is assessed and uxwndcd LC, include Ihs clrscls or dirkrem disunces or closest approach Tar !ilic end unlik ions within 111s scrsenin g cloud around lhc central ion. Improved values Ior the mean configura1ional energy per ion arc prcdicrcd when compared IO 11w rcsuhs or Xtonrc Carlo simularion sudics.

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The self-consistent determination of ion

The self-consistent determination of ion-pair distribution functions within the Debye-Hückel framework

✍ I.L. Cooper; J.A. Harrison 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 504 KB

Pair distribution functions for like ions in an electrolyte are generally predicted by the traditional Dcbye-Hiickel model to be unphysical, becoming negative at small sepamtions from the reference ion A simple modiication to the Debye-Hiickel model is proposed which corrects this unphysical bchavio