A Method for Obtaining Liquid–Solid Adsorption Rates from Molecular Dynamics Simulations

Zhang, X., Savara, A., & Getman, R. B. (2020). A Method for Obtaining Liquid–Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in H2O. Journal of Chemical Theory and Computation, 16(4), 2680-2691.

Type

Journal article

Intellectual base

Primary research

Year

2020

Volume

16

Issue

4

Pages

2680-2691

DOI

10.1021/acs.jctc.9b01249

DOI registrant

American Chemical Society

Link

https://doi.org/10.1021/acs.jctc.9b01249

Cited by

1 citation across 1 artifact.

Domain-specific

• Sticking Coefficient
  • Zhang, Savara, and Getman demonstrate a molecular-dynamics method extracting a liquid–solid sticking coefficient and macroscopic adsorption rate for methanol at Pt(111) in water.

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