Christelle Miqueu

5PUBLICATIONS
7CO-AUTHORS
Theoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical thermodynamics and energeticsComposite and hybrid materials
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Publications (5)

|Sep 10, 2026
Predicting methane and nitrogen adsorption in ZSM-5 and FAU-13X zeolites with a SAFT-VR-Mie classical density functional theory.

|Jun 04, 2026
Incorporating Material Flexibility Effects into Adsorption Modeling Using Nonlocal Density Functional Theory.

|Feb 10, 2026
Estimation by a SAFT-based density functional theory of the structure and thermodynamic properties of water films confined between graphite slices and an ice crystal.

Antoine Barthes, Thomas Bernet, David Grégoire

|Feb 11, 2024
A molecular density functional theory for associating fluids in 3D geometries.

Antoine Barthes, Thomas Bernet, David Grégoire

|Jun 02, 2021
Gas Porosimetry by Gas Adsorption as an Efficient Tool for the Assessment of the Shaping Effect in Commercial Zeolites.

Alejandro Orsikowsky-Sanchez, Christine Franke, Alexander Sachse

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Frequent Collaborators

2 joint publications

Antoine Barthes

2 joint publications

Thomas Bernet

2 joint publications

David Grégoire

2 joint publications

Raphaël Labeyrie