HALathon 2021 UPPA

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1. Ian Bell, Stephanie Delage Santacreu, Hai Hoang, Guillaume Galliero. Dynamic Crossover in Fluids: From Hard Spheres to Molecules. Journal of Physical Chemistry Letters, American Chemical Society, 2021, 12 (27), pp.6411-6417. ⟨10.1021/acs.jpclett.1c01594⟩. ⟨hal-03286754⟩
2. Abdoul Wahidou Saley Hamani, Jean-Patrick Bazile, Hai Hoang, Han Tuong Luc, Jean-Luc Daridon, et al.. Thermophysical properties of simple molecular liquid mixtures: On the limitations of some force fields. Journal of Molecular Liquids, Elsevier, 2020, 303, pp.112663. ⟨10.1016/j.molliq.2020.112663⟩. ⟨hal-02749740⟩
3. Natalia Muñoz-Rujas, Jean Patrick Bazile, Fernando Aguilar, Guillaume Galliero, Eduardo Montero, et al.. Speed of sound, density and derivative properties of binary mixtures HFE-7500 + Diisopropyl ether under high pressure. Journal of Chemical Thermodynamics, Elsevier, 2019, 128, pp.19-33. ⟨10.1016/j.jct.2018.08.005⟩. ⟨hal-02418861⟩
4. Natalia Muñoz-Rujas, Jean Patrick Bazile, Fernando Aguilar, Guillaume Galliero, Eduardo Montero, et al.. High-Pressure Viscosity Measurements for the Binary Mixture HFE-7500 + Diisopropyl Ether. Journal of Chemical and Engineering Data, American Chemical Society, 2019, 64 (12), pp.5332-5337. ⟨10.1021/acs.jced.9b00540⟩. ⟨hal-02418865⟩
5. Jean-Patrick Bazile, Djamel Nasri, Abdoul Wahidou Saley Hamani, Guillaume Galliero, Jean-Luc Daridon. Density, Speed of Sound, Compressibility, and Excess Properties of Carbon Dioxide + n -Dodecane Binary Mixtures from 10 to 70 MPa. Journal of Chemical and Engineering Data, American Chemical Society, 2019, 64 (7), pp.3187-3204. ⟨10.1021/acs.jced.9b00311⟩. ⟨hal-02418893⟩
6. Jean-Patrick Bazile, Djamel Nasri, A.W. Saley Hamani, Guillaume Galliero, Jean-Luc Daridon. Excess volume, isothermal compressibility, isentropic compressibility and speed of sound of carbon dioxide + n-heptane binary mixture under pressure up to 70 MPa. I Experimental Measurements. Journal of Supercritical Fluids, Elsevier, 2018, 140, pp.218--232. ⟨hal-02044047⟩
7. H. Hoang, A. Baylaucq, Guillaume Galliero. Accurate determination of bubble-point of oils from PV data using a combination of Y-function and Tait equation. Journal of Petroleum Science and Engineering, Elsevier, 2017, 149, pp.801-810. ⟨10.1016/j.petrol.2016.11.014⟩. ⟨hal-01815871⟩
8. N. Muñoz-Rujas, Jean-Patrick Bazile, F. Aguilar, Guillaume Galliero, E. Montero, et al.. Speed of sound and derivative properties of hydrofluoroether fluid HFE-7500 under high pressure. Journal of Chemical Thermodynamics, Elsevier, 2017, 112, pp.52-58. ⟨10.1016/j.jct.2017.04.007⟩. ⟨hal-01815862⟩
9. N. Muñoz-Rujas, Jean-Patrick Bazile, F. Aguilar, Guillaume Galliero, E. Montero, et al.. Speed of sound, density and derivative properties of diisopropyl ether under high pressure. Fluid Phase Equilibria, Elsevier, 2017, 449, pp.148-155. ⟨10.1016/j.fluid.2017.06.024⟩. ⟨hal-01815879⟩
10. Romain Vermorel, F. Oulebsir, Guillaume Galliero. Diffusion of supercritical fluids through single-layer nanoporous solids: theory and molecular simulations. Langmuir, American Chemical Society, 2017, 34 (2), pp.561--571. ⟨hal-01816749⟩
11. H. Hoang, Guillaume Galliero. Predictive Tait equation for non-polar and weakly polar fluids: Applications to liquids and liquid mixtures. Fluid Phase Equilibria, Elsevier, 2016, 425, pp.143-151. ⟨10.1016/j.fluid.2016.05.026⟩. ⟨hal-01815904⟩
12. M. Habrioux, Jean-Patrick Bazile, Guillaume Galliero, Jean-Luc Daridon. Viscosities of Fatty Acid Methyl and Ethyl Esters under High Pressure: Methyl Myristate and Ethyl Myristate. Journal of Chemical and Engineering Data, American Chemical Society, 2016, 61 (1), pp.398-403. ⟨10.1021/acs.jced.5b00612⟩. ⟨hal-01804378⟩
13. Hai Hoang, Guillaume Galliero. Couplings between swelling and shear in saturated slit nanopores: A molecular simulation study. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2015, 91 (1), pp.Article number 012401. ⟨10.1103/PhysRevE.91.012401⟩. ⟨hal-01279170⟩
14. Hai Hoang, Guillaume Galliero, François Montel, Jacques Bickert. Tait equation in the extended corresponding states framework: Application to liquids and liquid mixtures. Fluid Phase Equilibria, Elsevier, 2015, 387, pp.5-11. ⟨10.1016/j.fluid.2014.12.008⟩. ⟨hal-01279164⟩
15. Matthieu Habrioux, Jean-Patrick Bazile, Guillaume Galliero, Jean-Luc Daridon. Viscosities of Fatty Acid Methyl and Ethyl Esters under High Pressure: Methyl Caprate and Ethyl Caprate. Journal of Chemical and Engineering Data, American Chemical Society, 2015, 60, pp.902-908. ⟨10.1021/je500980a⟩. ⟨hal-01144383⟩
16. Julien Collell, Guillaume Galliero, F. Gouth, François Montel, Magali Pujol, et al.. Molecular simulation and modelisation of methane/ethane mixtures adsorption onto a microporous molecular model of kerogen under typical reservoir conditions. Microporous and Mesoporous Materials, Elsevier, 2014, 197, pp.194-203. ⟨10.1016/j.micromeso.2014.06.016⟩. ⟨hal-01059215⟩
17. Maria Comuñas, X. Paredes, F.M. Gacino, Josefa Fernandez, Jean-Patrick Bazile, et al.. Viscosity measurements for squalane at high pressures to 350 MPa from T = (293.15 to 363.15) K. Journal of Chemical Thermodynamics, Elsevier, 2014, 69, pp.201. ⟨10.1016/j.jct.2013.10.001⟩. ⟨hal-00903924⟩
18. Guillaume Galliero. Equilibrium, interfacial and transport properties of n-alkanes: Towards the simplest coarse grained molecular model. Chemical Engineering Research and Design, Elsevier, 2014, 92 (12), pp.2031-2037. ⟨10.1016/j.cherd.2014.05.028⟩. ⟨hal-01804440⟩
19. Julien Collell, Guillaume Galliero. Theoretically Based Model for Competitive Adsorption of Subcritical Mixtures. Journal of Physical Chemistry C, American Chemical Society, 2014, 118 (45), pp. 26162-26171. ⟨10.1021/jp508194d⟩. ⟨hal-01278641⟩
20. Julien Collell, Philippe Ungerer, Guillaume Galliero, Marianna Yiannourakou, François Montel, et al.. Molecular simulation of bulk organic matter in type ii shales in the middle of the oil formation window. Energy and Fuels, American Chemical Society, 2014, 28 (12), pp.7457-7466. ⟨10.1021/ef5021632⟩. ⟨hal-01278644⟩
21. S. K. Mylona, M. J. Assael, M.J.P. Comunas, X. Paredes, F.M. Gacino, et al.. Reference Correlations for the Density and Viscosity of Squalane from 273 to 473 K at Pressures to 200 MPa. Journal of Physical and Chemical Reference Data, American Institute of Physics, 2014, pp.013104-1. ⟨10.1063/1.4863984⟩. ⟨hal-01144397⟩
22. Julien Collell, Guillaume Galliero. Determination of the thermodynamic correction factor of fluids confined in nano-metric slit pores from molecular simulation. Journal of Chemical Physics, American Institute of Physics, 2014, 140 (19), pp.Article number 194702. ⟨10.1063/1.4875703⟩. ⟨hal-01059194⟩
23. Hai Hoang, Guillaume Galliero. Local shear viscosity of strongly inhomogeneous dense fluids: from the hard-sphere to the Lennard-Jones fluids. Journal of Physics: Condensed Matter, IOP Publishing, 2013, 25, pp.485001. ⟨10.1088/0953-8984/25/48/485001⟩. ⟨hal-00903911⟩
24. Hai Hoang, Guillaume Galliero. Shear viscosity of inhomogeneous hard-sphere fluids. Applied Mechanics and Materials, Trans Tech Publications, 2013, 330, pp.27-31. ⟨10.4028/www.scientific.net/AMM.330.27⟩. ⟨hal-00853818⟩
25. Djilali Ameur, Guillaume Galliero. Slippage of binary fluid mixtures in a nanopore. Microfluidics and Nanofluidics, Springer Verlag, 2013, 15 (2), pp.183-189. ⟨10.1007/s10404-013-1141-9⟩. ⟨hal-00853823⟩
26. Rachid Hannoui, Guillaume Galliero, Christian Boned. Molecular dynamics simulation of thermodiffusion and mass diffusion in structureless and atomistic micropores. Comptes Rendus Mécanique, Elsevier Masson, 2013, 341 (4-5), pp.469-476. ⟨10.1016/j.crme.2013.01.015⟩. ⟨hal-00834123⟩
27. Christian Boned, Guillaume Galliero, Jean-Patrick Bazile, William Magrini. Contribution to the modeling of the shear viscosity of sulfur hexafluoride (SF6): Comparative study of some representative models. Chemical Physics, Elsevier, 2013, 423, pp.105-118. ⟨hal-00856953⟩
28. Hai Hoang, Guillaume Galliero. Shear behavior of a confined thin film: Influence of the molecular dynamics scheme employed. Journal of Chemical Physics, American Institute of Physics, 2013, 138 (5), pp.Article number054707. ⟨10.1063/1.4789582⟩. ⟨hal-00853812⟩
29. Rachid Hannaoui, Guillaume Galliero, Hai Hoang, Christian Boned. Influence of confinement on thermodiffusion. Journal of Chemical Physics, American Institute of Physics, 2013, 139 (11), pp.Article number 114704. ⟨10.1063/1.4821128⟩. ⟨hal-00879672⟩
30. Hai Hoang, Guillaume Galliero. Shear viscosity of inhomogeneous fluids. Journal of Chemical Physics, American Institute of Physics, 2012, 136, pp.124902. ⟨10.1063/1.3696898⟩. ⟨hal-00721550⟩
31. Hai Hoang, Guillaume Galliero. Grand canonical-like molecular dynamics simulations: Application to anisotropic mass diffusion in a nanoporous medium. Journal of Chemical Physics, American Institute of Physics, 2012, 136, pp.184702. ⟨10.1063/1.4712139⟩. ⟨hal-00721552⟩
32. Mathieu Touzet, Guillaume Galliero, Véronique Lazzeri Pordoy, Z.M. Saghir, François Montel, et al.. Thermodiffusion: From microgravity experiments to the initial state of petroleum reservoirs. Comptes Rendus Mécanique, Elsevier Masson, 2011, 339, pp.318-323. ⟨10.1016/j.crme.2011.03.008⟩. ⟨hal-00647429⟩
33. Fatima Alaoui, E. Montero, Jean-Patrick Bazile, Maria Comuñas, Guillaume Galliero, et al.. Liquid density of 1-butanol at pressures up to 140MPa and from 293.15K to 403.15K. Fluid Phase Equilibria, Elsevier, 2011, 301, pp.131-136. ⟨hal-00647440⟩
34. Fabrizio Croccolo, Frédéric Plantier, Guillaume Galliero, Gilles Pijaudier-Cabot, M.Z. Saghir, et al.. Note: Temperature derivative of the refractive index of binary mixtures measured by using a new thermodiffusion cell. Review of Scientific Instruments, American Institute of Physics, 2011, 82 (12), pp.Article number 126105. ⟨10.1063/1.3662413⟩. ⟨hal-00683966⟩
35. Rachid Hannaoui, Guillaume Galliero, Djilali Ameur, Christian Boned. Molecular dynamics simulations of heat and mass transport properties of a simple binary mixture in micro/meso-pores. Chemical Physics, Elsevier, 2011, 389, pp.53-57. ⟨10.1016/j.chemphys.2011.07.029⟩. ⟨hal-00647435⟩
36. Mathilde Bugel, Guillaume Galliero, J.P. Caltagirone. Hybrid atomistic-continuum simulations of fluid flows involving interfaces. Microfluidics and Nanofluidics, Springer Verlag, 2011, 10, pp.637-647. ⟨10.1007/s10404-010-0697-x⟩. ⟨hal-00647426⟩
37. Guillaume Galliero, Christian Boned, Josefa Fernandez. Scaling of the viscosity of the Lennard-Jones chain fluid model, argon, and some normal alkanes. Journal of Chemical Physics, American Institute of Physics, 2011, 134, pp.064505. ⟨10.1063/1.3553262⟩. ⟨hal-00647432⟩
38. Stephan van Vaerenbergh, Z.M. Saghir, Jean-Luc Daridon, Michel Luhmer, Quentin Galand, et al.. Experimental microgravity Soret Coefficients in multicomponent systems: towards mixing rules?. High Temperatures-High Pressures, Old City Publishing, 2010, 39, pp.53-63. ⟨hal-00647424⟩
39. Guillaume Galliero, Christian Boned, Antoine Baylaucq. High-Pressure Acid-Gas Viscosity Correlation. SPE Journal, 2010, 15, pp.682. ⟨10.2118/121484-PA⟩. ⟨hal-00643799⟩
40. Masatoshi Yoshimura, Christian Boned, Guillaume Galliero, Jean-Patrick Bazile, Antoine Baylaucq, et al.. Influence of the chain length on the dynamic viscosity at high pressure of some 2-alkylamines: Measurements and comparative study of some models. Chemical Physics, Elsevier, 2010, 369, pp.126-137. ⟨10.1016/j.chemphys.2010.03.016⟩. ⟨hal-00643412⟩
41. Guillaume Galliero. Lennard-Jones fluid-fluid interfaces under shear. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2010, 81, pp.056306. ⟨10.1103/PhysRevE.81.056306⟩. ⟨hal-00643795⟩
42. Guillaume Galliero. Surface tension of short flexible Lennard-Jones chains: Corresponding states behavior. Journal of Chemical Physics, American Institute of Physics, 2010, 133, pp.074705. ⟨10.1063/1.3469860⟩. ⟨hal-00643796⟩
43. Guillaume Galliero, Christian Boned. Thermal conductivity of the Lennard-Jones chain fluid model. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2009, 80, pp.061202. ⟨10.1103/PhysRevE.80.061202⟩. ⟨hal-00468394⟩
44. Masatoshi Yoshimura, Christian Boned, Antoine Baylaucq, Guillaume Galliero, Hideharu Ushiki. Influence of the chain length on the dynamic viscosity at high pressure of some amines: Measurements and comparative study of some models. Journal of Chemical Thermodynamics, Elsevier, 2009, 41, pp.291-300. ⟨10.1016/j.jct.2008.08.006⟩. ⟨hal-00352526⟩
45. Guillaume Galliero, S. Srinivasan, Z.M. Saghir. Estimation of thermodiffusion in ternary alkane mixtures using molecular dynamics simulations and an irreversible thermodynamic theory. High Temperatures-High Pressures, Old City Publishing, 2009, 38, pp.315-328. ⟨hal-00468396⟩
46. Guillaume Galliero, M. Pineiro, Bruno Mendiboure, Christelle Miqueu, Thomas Lafitte, et al.. Interfacial properties of the Mie n−6 fluid: Molecular simulations and gradient theory results. Journal of Chemical Physics, American Institute of Physics, 2009, 130 (104704), pp.1-10. ⟨10.1063/1.3085716⟩. ⟨hal-00370703⟩
47. Guillaume Galliero, François Montel. Nonisothermal gravitational segregation by molecular dynamics simulations. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2008, 78, pp.041203. ⟨10.1103/PhysRevE.78.041203⟩. ⟨hal-00355751⟩
48. P.A. Artola, B. Rousseau, Guillaume Galliero. A new model for thermal diffusion: Kinetic approach. Journal of the American Chemical Society, American Chemical Society, 2008, 130 (33), pp.10963. ⟨10.1021/ja800817f⟩. ⟨hal-00322161⟩
49. François Montel, J. Bickaert, A. Lagisquet, Guillaume Galliero. Initial state of petroleum reservoirs: A comprehensive approach. Journal of Petroleum Science and Engineering, Elsevier, 2007, 58 (3-4), pp.391-402. ⟨10.1016/j.petrol.2006.03.032⟩. ⟨hal-00322166⟩
50. Yasufumi Miyake, Antoine Baylaucq, Christian Boned, David Bessieres, Claus Zeberg-Mikkelsen, et al.. Stereoisomeric effects on dynamic viscosity versus pressure and temperature for the system cis- + trans-decalin. Chemical Physics, Elsevier, 2007, 336 (2-3), pp.171-182. ⟨10.1016/j.chemphys.2007.06.015⟩. ⟨hal-00289206⟩
51. Yasufumi Miyake, Antoine Baylaucq, Claus Zeberg-Mikkelsen, Guillaume Galliero, Hideharu Ushiki, et al.. Stereoisomeric effects on volumetric properties under pressure for the system cis- + trans-decalin. Fluid Phase Equilibria, Elsevier, 2007, 252 (1-2), pp.79-87. ⟨10.1016/j.fluid.2006.12.011⟩. ⟨hal-00289209⟩
52. Guillaume Galliero, Jean Colombani, Philippe A. Bopp, Bernard Duguay, Jean-Paul Caltagirone, et al.. Thermal diffusion in micropores by molecular dynamics computer simulations. Physica A, Elsevier, 2006, 361, pp.494-510. ⟨10.1016/j.physa.2005.06.001⟩. ⟨hal-00098627⟩
53. Guillaume Galliero, Christian Boned, Antoine Baylaucq, François Montel. The van der Waals one-fluid model for viscosity in Lennard-Jones fluids: Influence of size and energy parameters. Fluid Phase Equilibria, Elsevier, 2006, 245 (1), pp.20-25. ⟨10.1016/j.fluid.2006.03.006⟩. ⟨hal-00289529⟩
54. Claus Zeberg-Mikkelsen, Guillaume Watson, Guillaume Galliero, Antoine Baylaucq, Christian Boned. Comparative experimental and modeling studies of the viscosity behavior of ethanol + C7 hydrocarbon mixtures versus pressure and temperature. Fluid Phase Equilibria, Elsevier, 2006, 245 (1), pp.6-19. ⟨10.1016/j.fluid.2006.01.030⟩. ⟨hal-00289530⟩
55. Guillaume Galliero, Christian Boned, Antoine Baylaucq, François Montel. Molecular dynamics comparative study of Lennard-Jones a-6 and exponential a-6 potentials: Application to real simple fluids (viscosity and pressure). Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2006, 73 (6), pp.Article number 061201. ⟨10.1103/PhysRevE.73.061201⟩. ⟨hal-00289531⟩
56. Guillaume Galliero, O.O. Medvedev, Alexander Shapiro. Molecular dynamics simulations of the penetration lengths: Application within the fluctuation theory for diffusion coefficients. Physica A: Statistical Mechanics and its Applications, Elsevier, 2005, 350, pp.315-337. ⟨10.1016/j.physa.2004.11.011⟩. ⟨hal-00322223⟩
57. Guillaume Galliero, Antoine Baylaucq, Christian Boned. Molecular dynamics study of the Lennard-Jones fluid viscosity. Application to real fluids. Industrial and engineering chemistry research, American Chemical Society, 2005, 44 (17), pp.6963-6972. ⟨10.1021/ie050154t⟩. ⟨hal-00289796⟩
58. Guillaume Galliero, Christian Boned, Antoine Baylaucq, François Montel. Influence of the mass ratio on viscosity in Lennard-Jones mixtures: The one-fluid model revisited using nonequilibrium molecular dynamics. Fluid Phase Equilibria, Elsevier, 2005, 234 (1-2), pp.56-63. ⟨10.1016/j.fluid.2005.05.016⟩. ⟨hal-00289852⟩
59. Guillaume Galliero, Bernard Duguay, Jean-Paul Caltagirone, François Montel. On thermal diffusion in binary and ternary Lennard-Jones mixtures by non-equilibrium molecular dynamics. Philosophical Magazine, Taylor & Francis, 2003, 83 (17-18), pp.2097-2108. ⟨10.1080/0141861031000107935⟩. ⟨hal-00322217⟩
60. Guillaume Galliero, Bernard Duguay, Jean-Paul Caltagirone, François Montel. Thermal diffusion sensitivity to the molecular parameters of a binary equimolar mixture, a non-equilibrium molecular dynamics approach. Fluid Phase Equilibria, Elsevier, 2003, 208 (1-2), pp.171-188. ⟨10.1016/S0378-3812(03)00030-X⟩. ⟨hal-00322216⟩
61. B. Wilbois, Guillaume Galliero, Jean-Paul Caltagirone, François Montel. Macroscopic model of multicomponent fluids in porous media. Philosophical Magazine, Taylor & Francis, 2003, 83, pp.2209-2219. ⟨10.1080/1478643031000107881⟩. ⟨hal-00322221⟩
62. Jean Colombani, Guillaume Galliero, Bernard Duguay, Jean-Paul Caltagirone, François Montel, et al.. A molecular dynamics study of thermal diffusion in a porous medium. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2002, 4, pp.313-321. ⟨10.1039/b106800h⟩. ⟨hal-00322222⟩
63. Guillaume Galliero, Jean Colombani, Bernard Duguay, Jean-Paul Caltagirone, François Montel. Evaluation de la thermodiffusion en milieu poreux nanométrique intégré par dynamique moléculaire hors équilibre directe. Entropie, 2002, 38 (239-240), pp.98-102. ⟨hal-00322283⟩
64. Guillaume Galliero, Bernard Duguay, Jean-Paul Caltagirone, François Montel. De l'influence sur la thermodiffusion des paramètres d'un mélange binaire de sphères de Lennard-Jones par dynamique moléculaire hors équilibre. Entropie, 2002, 38, pp.93-97. ⟨hal-00322284⟩
65. Guillaume Galliero. A molecular dynamics study of thermal diffusion in a porous medium. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2002, 4, pp.313-321. ⟨10.1039/b106800h⟩. ⟨hal-00643796⟩

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