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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

A 3D non-local density functional theory for any pore geometry

Thomas Berneta Université de Pau et des Pays de l'Adour, E2S UPPA, CNRS, Total, LFCR, Anglet, France;b Department of Chemical Engineering, Imperial College London, South Kensington Campus, London, UKView further author information
,
Manuel M. Piñeiroc Departamento de Física Aplicada, Facultad de Ciencias, Universidade de Vigo, Vigo, SpainView further author information
,
Frédéric Plantiera Université de Pau et des Pays de l'Adour, E2S UPPA, CNRS, Total, LFCR, Anglet, FranceView further author information
&
Christelle Miqueua Université de Pau et des Pays de l'Adour, E2S UPPA, CNRS, Total, LFCR, Anglet, FranceCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-0924-4437View further author information
ORCID Icon
Article: e1767308 | Received 05 Feb 2020, Accepted 05 May 2020, Published online: 21 May 2020

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George Jackson. (2021) Announcement of the winner of the Longuet-Higgins Early Career Researcher Prize 2020. Molecular Physics 119:24.
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Articles from other publishers (7)

Lucas J. dos Santos, Elvis do A. Soares, Amaro G. BarretoJr.Jr. & Frederico W. Tavares. (2024) Comparison of 3D-cDFT and GCMC simulations for fluid–structure analysis in amorphous carbon nanoporous materials. Adsorption.
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Antoine Barthes, Thomas Bernet, David Grégoire & Christelle Miqueu. (2024) A molecular density functional theory for associating fluids in 3D geometries. The Journal of Chemical Physics 160:5.
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Kyle Newport, Khaled Baamran, Ali A. Rownaghi & Fateme Rezaei. (2022) Magnetic-Field Assisted Gas Desorption from Fe 2 O 3 /Zeolite 13X Sorbent Monoliths for Biogas Upgrading . Industrial & Engineering Chemistry Research 61:51, pages 18843-18853.
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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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Joel M. Serrano, Tianyu Liu, Dong Guo, Zacary L. Croft, Ke Cao, Assad U. Khan, Zhen Xu, Elsaid Nouh, Shengfeng Cheng & Guoliang Liu. (2022) Utilization of Block Copolymers to Understand Water Vaporization Enthalpy Reduction in Uniform Pores. Macromolecules 55:11, pages 4803-4811.
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Wenxi Ren, Youjing Duan, Jianchun Guo & Tianyu Wang. (2021) An adaptive binary friction model for multicomponent gas transport in tight porous media. Journal of Applied Physics 129:9.
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Thomas Bernet, Erich A. Müller & George Jackson. (2020) A tensorial fundamental measure density functional theory for the description of adsorption in substrates of arbitrary three-dimensional geometry. The Journal of Chemical Physics 152:22.
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