Molecular Density Fluctuations Control Solubility and Diffusion for Confined Aqueous Hydrogen.

Journal

The journal of physical chemistry letters
ISSN: 1948-7185
Titre abrégé: J Phys Chem Lett
Pays: United States
ID NLM: 101526034

Informations de publication

Date de publication:
01 Aug 2024
Historique:
medline: 1 8 2024
pubmed: 1 8 2024
entrez: 1 8 2024
Statut: aheadofprint

Résumé

Hydrogen's contribution to a sustainable energy transformation requires intermittent storage technologies, e.g., underground hydrogen storage (UHS). Toward designing UHS sites, atomistic molecular dynamics (MD) simulations are used here to quantify thermodynamic and transport properties for confined aqueous H

Identifiants

DOI: 10.1021/acs.jpclett.4c01684 PMID: 39087860
pubmed: 39087860
doi: 10.1021/acs.jpclett.4c01684
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

8114-8124

Auteurs

Khang Quang Bui (KQ)

School of Sustainable Chemical, Biological, and Materials Engineering, The University of Oklahoma, Norman, Oklahoma 73019, United States.

Tran Thi Bao Le (TT)

School of Sustainable Chemical, Biological, and Materials Engineering, The University of Oklahoma, Norman, Oklahoma 73019, United States.

Gabriel D Barbosa (GD)

School of Sustainable Chemical, Biological, and Materials Engineering, The University of Oklahoma, Norman, Oklahoma 73019, United States.

Dimitrios V Papavassiliou (DV)

School of Sustainable Chemical, Biological, and Materials Engineering, The University of Oklahoma, Norman, Oklahoma 73019, United States.
ORCID: 0000-0002-4583-0820

Sepideh Razavi (S)

School of Sustainable Chemical, Biological, and Materials Engineering, The University of Oklahoma, Norman, Oklahoma 73019, United States.
ORCID: 0000-0003-1225-6081

Alberto Striolo (A)

School of Sustainable Chemical, Biological, and Materials Engineering, The University of Oklahoma, Norman, Oklahoma 73019, United States.
ORCID: 0000-0001-6542-8065

Classifications MeSH