Erratum: Evaluation of the work of adhesion at the interface between a surface-modified metal oxide and an organic solvent using molecular dynamics simulations (J. Chem. Phys. (2021) 154 (114703) DOI: 10.1039/c5ra03345d)

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Abstract

In the original article,1 a scaling factor of 0.5 for intramolecular 1,4-interactions was not taken into account during the relaxation of the decanoic acid-modified Al2O3/vacuum system. Therefore, the simulation was reconducted. FIG. 4. Relationship between the z-position of the phantom wall and the total force exerted on hexane molecules per unit area with various surface coverages. The error bars show the standard error of the mean. In this erratum, the revised figures from the original article (Figs. 4–7) are given with their original captions. The trends in each figure are the same as those in the original article, and it should be noted that the conclusion remains the same as the original article. (Figure Presented).

Original languageEnglish
Article number069901
Pages (from-to)1ENG
JournalJournal of Chemical Physics
Volume155
Issue number6
DOIs
Publication statusPublished - 2021 Aug 14

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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