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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 9-10: Thermodynamics 2019 Conference
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Thermodynamics 2019 Special Issue

Estimation of pore pressure and phase transitions of water confined in nanopores with non-local density functional theory

Christelle Miqueua Laboratoire des Fluides Complexes et leurs Reservoirs, Universite de Pau et des Pays de l’Adour, E2S UPPA, CNRS, Anglet, FranceCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-0924-4437View further author information
ORCID Icon &
David Grégoirea Laboratoire des Fluides Complexes et leurs Reservoirs, Universite de Pau et des Pays de l’Adour, E2S UPPA, CNRS, Anglet, France;b Institut Universitaire de France, Paris, FranceORCID Iconhttps://orcid.org/0000-0003-4313-460XView further author information
ORCID Icon
Article: e1742935 | Received 14 Oct 2019, Accepted 10 Mar 2020, Published online: 19 Mar 2020

Citations (7)

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Sashanka Sekhar Mandal & Sandip Khan. (2023) Vapor-Liquid phase transition of associating fluids in a functionalized cylindrical pore: a Monte Carlo study. Molecular Physics 121:13.
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Articles from other publishers (6)

Nicholas J. Corrente, Elizabeth L. Hinks, Aastha Kasera, Jinlu Liu & Alexander V. Neimark. (2024) Deformation of Nanoporous Carbons Induced By Multicomponent Adsorption: Insight from the SAFT-DFT Model. The Journal of Physical Chemistry C.
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Jiarong Sang & Feng Wei. (2024) Investigating the properties of the water−vapor and water−graphite interfaces by PC-SAFT based density functional theory: A comparative study of different association functionals and PC-SAFT water parameter sets. Journal of Molecular Liquids 397, pages 124009.
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Sashanka Sekhar Mandal, Sudhir Kumar Singh & Sandip Khan. (2023) Role of site–site interaction on the phase equilibria of multiple-site associating fluids in a functionalized slit pore. Journal of Physics: Condensed Matter 35:47, pages 475402.
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V.M. Sermoud, G.D. Barbosa, N.S. Vernin, A.G. Barreto Jr & F.W. Tavares. (2022) The impact of the adsorbent energy heterogeneities by multidimensional-multicomponent PC-SAFT-DFT. Fluid Phase Equilibria 562, pages 113546.
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Shiqi Zhou & Stanisław Lamperski. (2022) Unusual properties of the electric double layer in an extremely narrow nanotube. A grand canonical Monte Carlo and classical DFT study. Journal of Physics and Chemistry of Solids 161, pages 110440.
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O. Pizio, S. Sokołowski & V. M. Trejos. (2021) Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory. Condensed Matter Physics 24:3, pages 33601.
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