Zobrazeno 1 - 6
of 6
pro vyhledávání: '"A. I. Moreno-Ventas Bravo"'
Autor:
A. I. Moreno-Ventas Bravo, Jesús Algaba, Manuel M. Piñeiro, Bruno Mendiboure, José Matías Garrido, Felipe J. Blas, José Manuel Míguez
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2016, 144 (14), ⟨10.1063/1.4945385⟩
Arias Montano. Repositorio Institucional de la Universidad de Huelva
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Journal of Chemical Physics, American Institute of Physics, 2016, 144 (14), ⟨10.1063/1.4945385⟩
Arias Montano. Repositorio Institucional de la Universidad de Huelva
instname
We have determined the interfacial properties of tetrahydrofuran (THF) from direct simulation of the vapor-liquid interface. The molecules are modeled using six di↵erent molecular models, three of them based on the united-atom approach and the othe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5194c550c066110a804dd6b912bfd546
https://hal.archives-ouvertes.fr/hal-01804381
https://hal.archives-ouvertes.fr/hal-01804381
Publikováno v:
Arias Montano. Repositorio Institucional de la Universidad de Huelva
instname
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2014, 141 (18), ⟨10.1063/1.4900773⟩
instname
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2014, 141 (18), ⟨10.1063/1.4900773⟩
We propose an extension of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264–6269 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] to account for the intermo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e378bd5d9ca8d8287094a60f72995abe
https://pubmed.ncbi.nlm.nih.gov/25399153
https://pubmed.ncbi.nlm.nih.gov/25399153
Autor:
Jesús Algaba, F. J. Martínez-Ruiz, Luis G. MacDowell, A. I. Moreno-Ventas Bravo, Felipe J. Blas
Publikováno v:
Arias Montano. Repositorio Institucional de la Universidad de Huelva
instname
instname
We have determined the interfacial properties of short fully flexible chains formed from tangentially bonded Lennard-Jones monomeric units from direct simulation of the vapor-liquid interface. The results obtained are compared with those correspondin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4fe74200a1db22ec7be51b4718ba5505
http://hdl.handle.net/10272/13565
http://hdl.handle.net/10272/13565
Publikováno v:
Arias Montano. Repositorio Institucional de la Universidad de Huelva
instname
instname
We propose the extension of the test-area methodology, originally proposed to evaluate the surface tension of planar fluid-fluid interfaces along a computer simulation in the canonical ensemble, to deal with the solid-fluid interfacial tension of sys
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3745a4b369e5c0fedf7a991a7a77811a
https://pubmed.ncbi.nlm.nih.gov/22443790
https://pubmed.ncbi.nlm.nih.gov/22443790
Publikováno v:
Arias Montano. Repositorio Institucional de la Universidad de Huelva
instname
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We use and extend the universal relationship recently proposed by Galliero [G. Galliero, J. Chem. Phys. 133, 074705 (2010)], based on a combination of the corresponding-states principle of Guggenheim [E. A. Guggenheim, J. Chem. Phys. 13, 253 (1945)]
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::915e2bcd4d4844d7769cd4615401678c
http://hdl.handle.net/10272/17386
http://hdl.handle.net/10272/17386
Publikováno v:
Arias Montano. Repositorio Institucional de la Universidad de Huelva
instname
instname
We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ11 = σ22, with the same dispersive energy between like species, ϵ11 = ϵ22, but different dispersive energies between unlike
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0c83465739431e69dd950852b25b333
https://doi.org/10.1063/1.4930276
https://doi.org/10.1063/1.4930276