Test of the interaction potential energy for Na+-H2by gaseous ion transport data

Larry A. Viehland, Alexei A. Buchachenko

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Transport properties of Na+ions in gaseous hydrogen are calculated using the recently developed "beyond Monchick-Mason" (BMM) approximation and an ab initio Na+-H2potential energy surface. Good agreement with the experimental data on the reduced mobility and longitudinal diffusion coefficient proves the accuracy of the surface and the adequacy of the BMM method, allowing for its optimal parameterization.

Original languageEnglish
Article number114305
JournalJournal of Chemical Physics
Volume141
Issue number11
DOIs
Publication statusPublished - 21 Sep 2014
Externally publishedYes

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