Partenaires

CNRS
Logo tutelle Logo tutelle


Rechercher

Sur ce site

Sur le Web du CNRS


Accueil du site > Directory > NEYT Jean-Claude

NEYT Jean-Claude

All the versions of this article: English , français

PhD student
(financial support : IFP Energies nouvelles, 2010-2013)

Contact : jean-claude.neyt@gmail.com

Tél. : +33 (0)4.73.40.51.66, Mob.: +33 (0)6.28.20.91.70
Fax : +33 (0)4.73.40.53.28

Building Chemistry 7 1st Level

Team : Molecular Interactions and Thermodynamics

Subject of Thesis

- Calculation of the surface tension of gas/water, gas/oil and oil/water mixtures with molecular simulation

Expertises

- Thermodynamics, Physical chemistry.
- Molecular dynamics and Monte Carlo simulations
- Capture and storage of acid gas.

Background

- MASTER 2 in Chemistry, Option Materials – Certification in Theoretical Chemistry. Blaise Pascal University
- MASTER 1 in Physics, option Physical Chemistry. Blaise Pascal University
- LICENCE in Physical Chemistry Blaise Pascal University

Roles at ICCF

- Member of Molecular Interactions and Thermodynamics team (TIM)
- Member of AMI group (AMI)

Scientific Production

- Publications

  • Prediction of the temperature dependence of the surface tension of SO2, N2, O2, and Ar by Monte Carlo molecular simulations, J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, J. Phys. Chem. B, 115, (2011), 9421-9430.
  • Modeling the Pressure Dependence of Acid Gas + n-Alkane Interfacial Tensions Using Atomistic Monte Carlo Simulations, J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, J. Phys. Chem. C, 116, (2012), 10563-10572.
  • Molecular modeling of the liquid-vapor interfaces of a multi-component mixture: Prediction of the coexisting densities and surface tensions at different pressures and gas compositions, J.-C. Neyt, A. Wender, V. Lachet, A. Ghoufi, P. Malfreyt, J. Chem. Phys., 139, (2013), 024701.
  • Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations with polarizable and nonpolarizable models, J.-C. Neyt, A. Wender, V. Lachet, A. Ghoufi, P. Malfreyt, Phys. Chem. Chem. Phys., 15, (2013), 11679-11690.
  • Nanoconfined Electrolyte Solutions in porous Hydrophilic Silica Membranes., A. Ghoufi, R. Renou, A. Szymczik, H. Zhu, J.-C. Neyt, P. Malfreyt, J. Phys. Chem. C, 117, (2013), 11017-11027.

- Communications

8 communications including 7 presented personally.

  • «Surface tension of binary systems from Monte Carlo simulations», J.-C. Neyt, F. Biscay, A. Ghoufi, V. Lachet, P. Malfreyt, Thermodynamics (2011), Athènes, Grèce (Orale).
  • «Analyse structurale d’HDL : approche combinée par simulation moléculaire et diffraction des rayons X», J.-C. Neyt, F. Gonjon, C. Taviot-Guého, P. Malfreyt, JFJPC (2011), St Nectaire, France (Poster).
  • «Prédiction de la dépendance en température de la tension superficielle de SO2, O2, N2 et Ar par simulation moléculaire de type Monte Carlo», J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, JFJPC (2011), St Nectaire, France (Poster).
  • «Prédiction de la dépendance en concentration de la tension interfaciale de saumure par dynamique moléculaire : influence de la polarisabilité́», J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, Modélisation à Paris (2012), Paris, France (Orale).
  • «Prédiction of the surface tension of alkane/acid gas mixtures with Monte Carlo » J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, InMoTher (2012), Lyon, France (Orale).
  • «Determination of the density and the surface tension of brines with molecular simulation», J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, JEEP (2013), Nancy, France (Poster).
  • «Determination of the densities and surface tensions of brines with molecular simulation», J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, Thermodynamics (2013), Manchester, Angleterre (Orale)
  • «Determination of the densities and surface tensions of brines with molecular simulation», J.-C. Neyt, A. Wender, V. Lachet, P. Malfreyt, Thermodynamics (2013), Manchester, Angleterre (Poster)

Awards

- Best Poster, JFJPC 2011 à St Nectaire, France
- Innovation and student entrepreneurship award, 2012, Clermont-Ferrand, France.