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288 related items for PubMed ID: 27083740

  • 1. On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation.
    Garrido JM, Algaba J, Míguez JM, Mendiboure B, Moreno-Ventas Bravo AI, Piñeiro MM, Blas FJ.
    J Chem Phys; 2016 Apr 14; 144(14):144702. PubMed ID: 27083740
    [Abstract] [Full Text] [Related]

  • 2. SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.
    Avendaño C, Lafitte T, Adjiman CS, Galindo A, Müller EA, Jackson G.
    J Phys Chem B; 2013 Mar 07; 117(9):2717-33. PubMed ID: 23311931
    [Abstract] [Full Text] [Related]

  • 3. Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100.
    Müller EA, Mejía A.
    J Phys Chem B; 2011 Nov 10; 115(44):12822-34. PubMed ID: 21932822
    [Abstract] [Full Text] [Related]

  • 4. SAFT-γ Force Field for the Simulation of Molecular Fluids. 5. Hetero-Group Coarse-Grained Models of Linear Alkanes and the Importance of Intramolecular Interactions.
    Rahman S, Lobanova O, Jiménez-Serratos G, Braga C, Raptis V, Müller EA, Jackson G, Avendaño C, Galindo A.
    J Phys Chem B; 2018 Oct 04; 122(39):9161-9177. PubMed ID: 30179489
    [Abstract] [Full Text] [Related]

  • 5. SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide.
    Avendaño C, Lafitte T, Galindo A, Adjiman CS, Jackson G, Müller EA.
    J Phys Chem B; 2011 Sep 29; 115(38):11154-69. PubMed ID: 21815624
    [Abstract] [Full Text] [Related]

  • 6. Vapour-liquid phase equilibria and interfacial properties of fatty acid methyl esters from molecular dynamics simulations.
    Feria E, Algaba J, Míguez JM, Mejía A, Gómez-Álvarez P, Blas FJ.
    Phys Chem Chem Phys; 2020 Mar 07; 22(9):4974-4983. PubMed ID: 32083261
    [Abstract] [Full Text] [Related]

  • 7. Effect of molecular flexibility of Lennard-Jones chains on vapor-liquid interfacial properties.
    Blas FJ, Moreno-Ventas Bravo AI, Algaba J, Martínez-Ruiz FJ, MacDowell LG.
    J Chem Phys; 2014 Mar 21; 140(11):114705. PubMed ID: 24655196
    [Abstract] [Full Text] [Related]

  • 8. Density functional theory for the prediction of interfacial properties of molecular fluids within the SAFT-γ coarse-grained approach.
    Algaba J, Mendiboure B, Gómez-Álvarez P, Blas FJ.
    RSC Adv; 2022 Jun 22; 12(29):18821-18833. PubMed ID: 35873311
    [Abstract] [Full Text] [Related]

  • 9. Vapour-liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation.
    Martínez-Ruiz FJ, Blas FJ, Moreno-Ventas Bravo AI, Míguez JM, MacDowell LG.
    Phys Chem Chem Phys; 2017 May 17; 19(19):12296-12309. PubMed ID: 28513739
    [Abstract] [Full Text] [Related]

  • 10. Vapor-liquid interfacial properties of rigid-linear Lennard-Jones chains.
    Blas FJ, Moreno-Ventas Bravo AI, Míguez JM, Piñeiro MM, MacDowell LG.
    J Chem Phys; 2012 Aug 28; 137(8):084706. PubMed ID: 22938258
    [Abstract] [Full Text] [Related]

  • 11. Effect of dispersive long-range corrections to the pressure tensor: the vapour-liquid interfacial properties of the Lennard-Jones system revisited.
    Martínez-Ruiz FJ, Blas FJ, Mendiboure B, Moreno-Ventas Bravo AI.
    J Chem Phys; 2014 Nov 14; 141(18):184701. PubMed ID: 25399153
    [Abstract] [Full Text] [Related]

  • 12. An accurate density functional theory for the vapor-liquid interface of chain molecules based on the statistical associating fluid theory for potentials of variable range for Mie chainlike fluids.
    Algaba J, Míguez JM, Mendiboure B, Blas FJ.
    Phys Chem Chem Phys; 2019 Jun 05; 21(22):11937-11948. PubMed ID: 31134241
    [Abstract] [Full Text] [Related]

  • 13. Extension of the SAFT-VR Mie EoS To Model Homonuclear Rings and Its Parametrization Based on the Principle of Corresponding States.
    Müller EA, Mejía A.
    Langmuir; 2017 Oct 24; 33(42):11518-11529. PubMed ID: 28602088
    [Abstract] [Full Text] [Related]

  • 14. Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains.
    Blas FJ, MacDowell LG, de Miguel E, Jackson G.
    J Chem Phys; 2008 Oct 14; 129(14):144703. PubMed ID: 19045161
    [Abstract] [Full Text] [Related]

  • 15. Molecular dynamics of liquid-liquid equilibrium and interfacial properties of aqueous solutions of methyl esters.
    Feria E, Algaba J, Míguez JM, Mejía A, Blas FJ.
    Phys Chem Chem Phys; 2022 Mar 02; 24(9):5371-5382. PubMed ID: 35170596
    [Abstract] [Full Text] [Related]

  • 16. Understanding the Phase Behavior of Tetrahydrofuran + Carbon Dioxide, + Methane, and + Water Binary Mixtures from the SAFT-VR Approach.
    Míguez JM, Piñeiro MM, Algaba J, Mendiboure B, Torré JP, Blas FJ.
    J Phys Chem B; 2015 Nov 05; 119(44):14288-302. PubMed ID: 26465671
    [Abstract] [Full Text] [Related]

  • 17. Interfacial properties of binary mixtures of square-well molecules from Monte Carlo simulation.
    Martínez-Ruiz FJ, Blas FJ.
    J Chem Phys; 2016 Apr 21; 144(15):154705. PubMed ID: 27389232
    [Abstract] [Full Text] [Related]

  • 18. Development of a fused-sphere SAFT-γ Mie force field for poly(vinyl alcohol) and poly(ethylene).
    Walker CC, Genzer J, Santiso EE.
    J Chem Phys; 2019 Jan 21; 150(3):034901. PubMed ID: 30660157
    [Abstract] [Full Text] [Related]

  • 19. Sulfur hexafluoride's liquid-vapor coexistence curve, interfacial properties, and diffusion coefficients as predicted by a simple rigid model.
    Olivet A, Duque D, Vega LF.
    J Chem Phys; 2005 Nov 15; 123(19):194508. PubMed ID: 16321101
    [Abstract] [Full Text] [Related]

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