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1287 related items for PubMed ID: 21815624

  • 1. 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]

  • 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. Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations.
    Müller EA, Jackson G.
    Annu Rev Chem Biomol Eng; 2014 Mar 07; 5():405-27. PubMed ID: 24702297
    [Abstract] [Full Text] [Related]

  • 4. Accurate statistical associating fluid theory for chain molecules formed from Mie segments.
    Lafitte T, Apostolakou A, Avendaño C, Galindo A, Adjiman CS, Müller EA, Jackson G.
    J Chem Phys; 2013 Oct 21; 139(15):154504. PubMed ID: 24160524
    [Abstract] [Full Text] [Related]

  • 5. A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma).
    Lymperiadis A, Adjiman CS, Galindo A, Jackson G.
    J Chem Phys; 2007 Dec 21; 127(23):234903. PubMed ID: 18154411
    [Abstract] [Full Text] [Related]

  • 6. Simultaneous estimation of phase behavior and second-derivative properties using the statistical associating fluid theory with variable range approach.
    Lafitte T, Bessieres D, Piñeiro MM, Daridon JL.
    J Chem Phys; 2006 Jan 14; 124(2):024509. PubMed ID: 16422613
    [Abstract] [Full Text] [Related]

  • 7. Application of a renormalization-group treatment to the statistical associating fluid theory for potentials of variable range (SAFT-VR).
    Forte E, Llovell F, Vega LF, Trusler JP, Galindo A.
    J Chem Phys; 2011 Apr 21; 134(15):154102. PubMed ID: 21513370
    [Abstract] [Full Text] [Related]

  • 8. Phase behavior of dipolar associating fluids from the SAFT-VR+D equation of state.
    Zhao H, Ding Y, McCabe C.
    J Chem Phys; 2007 Aug 28; 127(8):084514. PubMed ID: 17764276
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. Modeling the [NTf2] pyridinium ionic liquids family and their mixtures with the soft statistical associating fluid theory equation of state.
    Oliveira MB, Llovell F, Coutinho JA, Vega LF.
    J Phys Chem B; 2012 Aug 02; 116(30):9089-100. PubMed ID: 22712755
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. I. Homogeneous fluids.
    Ghobadi AF, Elliott JR.
    J Chem Phys; 2013 Dec 21; 139(23):234104. PubMed ID: 24359349
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. 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]

  • 15. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: the case of carbon dioxide.
    Mognetti BM, Yelash L, Virnau P, Paul W, Binder K, Müller M, MacDowell LG.
    J Chem Phys; 2008 Mar 14; 128(10):104501. PubMed ID: 18345900
    [Abstract] [Full Text] [Related]

  • 16. Interfacial properties of water/CO2: a comprehensive description through a Gradient Theory-SAFT-VR Mie approach.
    Lafitte T, Mendiboure B, Piñeiro MM, Bessières D, Miqueu C.
    J Phys Chem B; 2010 Sep 02; 114(34):11110-6. PubMed ID: 20698517
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. Thermodynamic properties of the Mie n-6 fluid: a comparison between statistical associating fluid theory of variable range approach and molecular dynamics results.
    Galliero G, Lafitte T, Bessieres D, Boned C.
    J Chem Phys; 2007 Nov 14; 127(18):184506. PubMed ID: 18020648
    [Abstract] [Full Text] [Related]

  • 19. Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment.
    Mognetti BM, Virnau P, Yelash L, Paul W, Binder K, Müller M, MacDowell LG.
    J Chem Phys; 2009 Jan 28; 130(4):044101. PubMed ID: 19191371
    [Abstract] [Full Text] [Related]

  • 20. A comprehensive description of chemical association effects on second derivative properties of alcohols through a SAFT-VR approach.
    Lafitte T, Piñeiro MM, Daridon JL, Bessières D.
    J Phys Chem B; 2007 Apr 05; 111(13):3447-61. PubMed ID: 17388508
    [Abstract] [Full Text] [Related]

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