A New Force Field for OH– for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions-Reference-Cited by-同舟云学术

A New Force Field for OH^– for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions

Published:2022-11-03 Issue:45 Volume:126 Page:9376-9387
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Habibi Parsa¹²,Rahbari Ahmadreza¹^ORCID,Blazquez Samuel³^ORCID,Vega Carlos³^ORCID,Dey Poulumi²^ORCID,Vlugt Thijs J. H.¹^ORCID,Moultos Othonas A.¹^ORCID

Affiliation:

1. Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Leeghwaterstraat 39, 2628 CBDelft, The Netherlands

2. Department of Materials Science and Engineering, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Mekelweg 2, 2628 CDDelft, The Netherlands

3. Depto. Química Física, Fac. Ciencias Químicas, Universidad Complutense de Madrid, 28040Madrid, Spain

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Ministerio de Educacion y Cultura

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c06381

Reference104 articles.

1. Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions