Chilling alcohol on the computer: isothermal compressibility and the formation of hydrogen-bond clusters in liquid propan-1-ol

ABSTRACT: Molecular dynamics simulations have been performed to compute the isothermal compressibility [Formula: see text] of liquid propan-1-ol in the temperature range [Formula: see text] K. A change in behaviour, from normal (high T) to anomalous (low T), has been identified for [Formula: see tex...

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Detalles Bibliográficos
Autores principales: Baptista, Luis A., Sevilla, Mauricio, Wagner, Manfred, Kremer, Kurt, Cortes-Huerto, Robinson
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2023
Materias:
Regular Article - Flowing Matter
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687148/
https://www.ncbi.nlm.nih.gov/pubmed/38019330
http://dx.doi.org/10.1140/epje/s10189-023-00380-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687148/
https://www.ncbi.nlm.nih.gov/pubmed/38019330
http://dx.doi.org/10.1140/epje/s10189-023-00380-w

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