Skip to Main content Skip to Navigation
Conference papers

Condensation at a charged surface a molecular dynamics investigation of the Stern layer for water-silica interfaces

Abstract : We investigate the Stern layer of charged silica-water interfaces by calculating the ion-surface interactions with biased molecular dynamics (Umbrella-Sampling) This allows to determine the ion surface interaction profiles where from ensue association constants. We varied hydrophilicity of silica surface by varying the number of silanols on the surface. Each surface has a single charge on deprotonated oxygen qOc= -1 e
Complete list of metadatas

https://hal-cea.archives-ouvertes.fr/cea-02431797
Contributor : Amplexor Amplexor <>
Submitted on : Wednesday, January 8, 2020 - 10:50:52 AM
Last modification on : Monday, May 11, 2020 - 4:12:08 PM

Identifiers

  • HAL Id : cea-02431797, version 1

Collections

CEA | DEN

Citation

S. Hocine, R. Hartkamp, B. Siboulet, B. Coasne, Jean-François Dufrêche, et al.. Condensation at a charged surface a molecular dynamics investigation of the Stern layer for water-silica interfaces. Ballard Conference 2016, Apr 2016, Montpellier, France. ⟨cea-02431797⟩

Share

Metrics

Record views

12