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HALathon 2021 UPPA

Les articles que vous pouvez déposer

# Année Titre Revue Lien éditeur / doi Notice HAL
1 2020 A 3D non-local density functional theory for any pore geometry Molecular Physics 10.1080/00268976.2020.1767308 hal-03049601
2 2020 Estimation of pore pressure and phase transitions of water confined in nanopores with non-local density functional theory Molecular Physics 10.1080/00268976.2020.1742935 hal-02519071
3 2020 Coupled gravimetric, manometric and calorimetric study of CO2, N2 and CH4 adsorption on zeolites for the assessment of classical equilibrium models Adsorption - Journal of the International Adsorption Society 10.1007/s10450-020-00206-7 hal-02472335
4 2017 Generalization of the fundamental-Measure theory beyond hard potentials: The square-Well fluid case Journal of Physical Chemistry C 10.1021/acs.jpcc.7b00797 hal-01803219
5 2015 An accurate model for the filling pressure of carbon slit-like micropores Fluid Phase Equilibria 10.1016/j.fluid.2015.07.003 hal-01278669
6 2014 A fully consistent experimental and molecular simulation study of methane adsorption on activated carbon Adsorption - Journal of the International Adsorption Society 10.1007/s10450-014-9611-2 hal-01059290
7 2014 Nonlocal density functional theory and grand canonical monte carlo molecular simulations of water adsorption in confined media Journal of Physical Chemistry C 10.1021/jp505239e hal-01278665
8 2011 Simultaneous application of the gradient theory and Monte Carlo molecular simulation for the investigation of methane/water interfacial properties Journal of Physical Chemistry B 10.1021/jp202276k hal-00684574
9 2010 Interfacial Properties of Water/CO2: A Comprehensive Description through a Gradient Theory-SAFT-VR Mie Approach Journal of Physical Chemistry B 10.1021/jp103292e hal-00525559
10 2009 Interfacial properties of the Mie n−6 fluid: Molecular simulations and gradient theory results Journal of Chemical Physics 10.1063/1.3085716 hal-00370703
11 2009 Comparison between experimental and theoretical estimations of the thermal expansion, concentration expansion coefficients, and viscosity for binary mixtures under pressures up to 20 MPa Journal of Chemical and Engineering Data 10.1021/je8008073 hal-00685423
12 2007 Petroleum mixtures: An efficient predictive method for surface tension estimations at reservoir conditions Fuel 10.1016/j.fuel.2007.05.049 hal-00340863
13 2005 Parachors of liquid/vapor systems: A set of critical amplitudes Fluid Phase Equilibria 10.1016/j.fluid.2005.03.025 hal-00343030
14 2005 Generalized cubic-plus-association equation of state AICHE Annual Meeting, Conference Proceedings hal-00343522
15 2005 Generalized equation of state for the perturbed-chain statistical associating fluid theory AICHE Annual Meeting, Conference Proceedings hal-00343523
16 2005 Modeling vapor-liquid interfaces with the gradient theory in combination with the CPA equation of state Fluid Phase Equilibria 10.1016/j.fluid.2004.08.011 hal-00343511
17 2005 Modeling of the surface tension of multicomponent mixtures with the gradient theory of fluid interfaces Industrial and engineering chemistry research 10.1021/ie0490861 hal-00343032
18 2004 Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces Fluid Phase Equilibria 10.1016/j.fluid.2003.12.008 hal-00691211
19 2003 Modelling of the surface tension of pure components with the gradient theory of fluid interfaces: A simple and accurate expression for the influence parameters Fluid Phase Equilibria 10.1016/S0378-3812(03)00028-1 hal-00691220
20 2001 The effect of P/N/A distribution on the parachors of petroleum fractions Fluid Phase Equilibria 10.1016/S0378-3812(01)00356-9 hal-00691592
21 2000 An extended scaled equation for the temperature dependence of the surface tension of pure compounds inferred from an analysis of experimental data Fluid Phase Equilibria 10.1016/S0378-3812(00)00384-8 hal-00703344

Références complètes

  1. Thomas Bernet, Manuel Piñeiro, Frédéric Plantier, Christelle Miqueu. A 3D non-local density functional theory for any pore geometry. Molecular Physics, Taylor & Francis, 2020, 118 (9-10), pp.e1767308. ⟨10.1080/00268976.2020.1767308⟩. ⟨hal-03049601⟩
  2. Christelle Miqueu, David Grégoire. Estimation of pore pressure and phase transitions of water confined in nanopores with non-local density functional theory. Molecular Physics, Taylor & Francis, 2020, ⟨10.1080/00268976.2020.1742935⟩. ⟨hal-02519071⟩
  3. Alejandro Orsikowsky-Sanchez, Frédéric Plantier, Christelle Miqueu. Coupled gravimetric, manometric and calorimetric study of CO2, N2 and CH4 adsorption on zeolites for the assessment of classical equilibrium models. Adsorption - Journal of the International Adsorption Society, Springer Verlag, In press, ⟨10.1007/s10450-020-00206-7⟩. ⟨hal-02472335⟩
  4. T. Bernet, M.M. Piñeiro, Frédéric Plantier, Christelle Miqueu. Generalization of the fundamental-Measure theory beyond hard potentials: The square-Well fluid case. Journal of Physical Chemistry C, American Chemical Society, 2017, 121 (11), pp.6184-6190. ⟨10.1021/acs.jpcc.7b00797⟩. ⟨hal-01803219⟩
  5. Carine Malheiro, Bruno Mendiboure, Frédéric Plantier, Bertrand Guatarbes, Christelle Miqueu. An accurate model for the filling pressure of carbon slit-like micropores. Fluid Phase Equilibria, Elsevier, 2015, 404, pp.118-123. ⟨10.1016/j.fluid.2015.07.003⟩. ⟨hal-01278669⟩
  6. Fadi Khaddour, Auriane Knorst-Fouran, Frédéric Plantier, Manuel Pineiro, Bruno Mendiboure, et al.. A fully consistent experimental and molecular simulation study of methane adsorption on activated carbon. Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2014, 20 (4), pp.649-656. ⟨10.1007/s10450-014-9611-2⟩. ⟨hal-01059290⟩
  7. Carine Malheiro, Bruno Mendiboure, Jose Manuel Miguez, Manuel Piñeiro, Christelle Miqueu. Nonlocal density functional theory and grand canonical monte carlo molecular simulations of water adsorption in confined media. Journal of Physical Chemistry C, American Chemical Society, 2014, 118 (43), pp. 24905-24914. ⟨10.1021/jp505239e⟩. ⟨hal-01278665⟩
  8. Christelle Miqueu, Jose Manuel Miguez, Manuel Pineiro, Thomas Lafitte, Bruno Mendiboure. Simultaneous application of the gradient theory and Monte Carlo molecular simulation for the investigation of methane/water interfacial properties. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (31), pp.9618-9625. ⟨10.1021/jp202276k⟩. ⟨hal-00684574⟩
  9. Christelle Miqueu, Thomas Lafitte, Bruno Mendiboure, M. Pineiro, David Bessieres. Interfacial Properties of Water/CO2: A Comprehensive Description through a Gradient Theory-SAFT-VR Mie Approach. Journal of Physical Chemistry B, American Chemical Society, 2010, 114 (34), pp 11110-11116. ⟨10.1021/jp103292e⟩. ⟨hal-00525559⟩
  10. 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⟩
  11. Henri Bataller, Christelle Miqueu, Frédéric Plantier, Jean-Luc Daridon, T. Jabert, et al.. Comparison between experimental and theoretical estimations of the thermal expansion, concentration expansion coefficients, and viscosity for binary mixtures under pressures up to 20 MPa. Journal of Chemical and Engineering Data, American Chemical Society, 2009, 54 (6), pp.1710-1715. ⟨10.1021/je8008073⟩. ⟨hal-00685423⟩
  12. Christelle Miqueu, Bruno Mendiboure, Alain Graciaa, Jean Lachaise. Petroleum mixtures: An efficient predictive method for surface tension estimations at reservoir conditions. Fuel, Elsevier, 2007, 87 (6), pp.612-621. ⟨10.1016/j.fuel.2007.05.049⟩. ⟨hal-00340863⟩
  13. Daniel Broseta, N. Melean, Christelle Miqueu. Parachors of liquid/vapor systems: A set of critical amplitudes. Fluid Phase Equilibria, Elsevier, 2005, 233 (1), pp.86-95. ⟨10.1016/j.fluid.2005.03.025⟩. ⟨hal-00343030⟩
  14. H.W. Xiang, François Montel, Alain Graciaa, Bruno Mendiboure, Christelle Miqueu. Generalized cubic-plus-association equation of state. AICHE Annual Meeting, Conference Proceedings, 2005, pp.572. ⟨hal-00343522⟩
  15. H.W. Xiang, François Montel, Alain Graciaa, Christelle Miqueu, Bruno Mendiboure. Generalized equation of state for the perturbed-chain statistical associating fluid theory. AICHE Annual Meeting, Conference Proceedings, 2005, pp.781. ⟨hal-00343523⟩
  16. A.J. Queimada, Christelle Miqueu, Isabel Marrucho, G.M. Kontogeorgis, J. Coutinho. Modeling vapor-liquid interfaces with the gradient theory in combination with the CPA equation of state. Fluid Phase Equilibria, Elsevier, 2005, 228-229, pp.479-485. ⟨10.1016/j.fluid.2004.08.011⟩. ⟨hal-00343511⟩
  17. Christelle Miqueu, Bruno Mendiboure, Alain Graciaa, Jean Lachaise. Modeling of the surface tension of multicomponent mixtures with the gradient theory of fluid interfaces. Industrial and engineering chemistry research, American Chemical Society, 2005, 44 (9), pp.3321-3329. ⟨10.1021/ie0490861⟩. ⟨hal-00343032⟩
  18. Christelle Miqueu, Bruno Mendiboure, Alain Graciaa, Jean Lachaise. Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces. Fluid Phase Equilibria, Elsevier, 2004, 218 (2), pp.189-203. ⟨10.1016/j.fluid.2003.12.008⟩. ⟨hal-00691211⟩
  19. Christelle Miqueu, Bruno Mendiboure, Alain Graciaa, Jean Lachaise. Modelling of the surface tension of pure components with the gradient theory of fluid interfaces: A simple and accurate expression for the influence parameters. Fluid Phase Equilibria, Elsevier, 2003, 207 (1-2), pp.225-246. ⟨10.1016/S0378-3812(03)00028-1⟩. ⟨hal-00691220⟩
  20. Christelle Miqueu, John Satherley, Bruno Mendiboure, Jean Lachaise, Alain Graciaa. The effect of P/N/A distribution on the parachors of petroleum fractions. Fluid Phase Equilibria, Elsevier, 2001, 180 (1-2), pp.327-344. ⟨10.1016/S0378-3812(01)00356-9⟩. ⟨hal-00691592⟩
  21. Christelle Miqueu, Daniel Broseta, John Satherley, Bruno Mendiboure, Jean Lachaise, et al.. An extended scaled equation for the temperature dependence of the surface tension of pure compounds inferred from an analysis of experimental data. Fluid Phase Equilibria, Elsevier, 2000, 172 (2), pp.169-182. ⟨10.1016/S0378-3812(00)00384-8⟩. ⟨hal-00703344⟩