235 related articles for article (PubMed ID: 26274900)
1. Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: n-Alkanes and n-Olefins.
Hemmen A; Gross J
J Phys Chem B; 2015 Sep; 119(35):11695-707. PubMed ID: 26274900
[TBL] [Abstract][Full Text] [Related]
2. Polarizable Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibria: Ethers, n-Alkanes, and Nitrogen.
Waibel C; Gross J
J Chem Theory Comput; 2019 Apr; 15(4):2561-2573. PubMed ID: 30811184
[TBL] [Abstract][Full Text] [Related]
3. Mie potentials for phase equilibria calculations: application to alkanes and perfluoroalkanes.
Potoff JJ; Bernard-Brunel DA
J Phys Chem B; 2009 Nov; 113(44):14725-31. PubMed ID: 19824622
[TBL] [Abstract][Full Text] [Related]
4. Grand Canonical Monte Carlo Simulations Guided by an Analytic Equation of State-Transferable Anisotropic Mie Potentials for Ethers.
Hemmen A; Panagiotopoulos AZ; Gross J
J Phys Chem B; 2015 Jun; 119(23):7087-99. PubMed ID: 25961429
[TBL] [Abstract][Full Text] [Related]
5. 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; 122(39):9161-9177. PubMed ID: 30179489
[TBL] [Abstract][Full Text] [Related]
6. 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; 117(9):2717-33. PubMed ID: 23311931
[TBL] [Abstract][Full Text] [Related]
7. Determining force field parameters using a physically based equation of state.
van Westen T; Vlugt TJ; Gross J
J Phys Chem B; 2011 Jun; 115(24):7872-80. PubMed ID: 21568280
[TBL] [Abstract][Full Text] [Related]
8. Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. I. Homogeneous fluids.
Ghobadi AF; Elliott JR
J Chem Phys; 2013 Dec; 139(23):234104. PubMed ID: 24359349
[TBL] [Abstract][Full Text] [Related]
9. 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; 144(14):144702. PubMed ID: 27083740
[TBL] [Abstract][Full Text] [Related]
10. Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments.
Papaioannou V; Lafitte T; Avendaño C; Adjiman CS; Jackson G; Müller EA; Galindo A
J Chem Phys; 2014 Feb; 140(5):054107. PubMed ID: 24511922
[TBL] [Abstract][Full Text] [Related]
11. Transferable potentials for phase equilibria-coarse-grain description for linear alkanes.
Maerzke KA; Siepmann JI
J Phys Chem B; 2011 Apr; 115(13):3452-65. PubMed ID: 21395331
[TBL] [Abstract][Full Text] [Related]
12. Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes.
Mick JR; Soroush Barhaghi M; Jackman B; Rushaidat K; Schwiebert L; Potoff JJ
J Chem Phys; 2015 Sep; 143(11):114504. PubMed ID: 26395716
[TBL] [Abstract][Full Text] [Related]
13. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties.
Nieto-Draghi C; Ungerer P; Rousseau B
J Chem Phys; 2006 Jul; 125(4):44517. PubMed ID: 16942166
[TBL] [Abstract][Full Text] [Related]
14. 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; 115(44):12822-34. PubMed ID: 21932822
[TBL] [Abstract][Full Text] [Related]
15. Prediction of phase equilibrium and hydration free energy of carboxylic acids by Monte Carlo simulations.
Ferrando N; Gedik I; Lachet V; Pigeon L; Lugo R
J Phys Chem B; 2013 Jun; 117(23):7123-32. PubMed ID: 23697338
[TBL] [Abstract][Full Text] [Related]
16. Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.
Lubna N; Kamath G; Potoff JJ; Rai N; Siepmann JI
J Phys Chem B; 2005 Dec; 109(50):24100-7. PubMed ID: 16375402
[TBL] [Abstract][Full Text] [Related]
17. Pressure dependence of the vapor-liquid-liquid phase behavior in ternary mixtures consisting of n-alkanes, n-perfluoroalkanes, and carbon dioxide.
Zhang L; Siepmann JI
J Phys Chem B; 2005 Feb; 109(7):2911-9. PubMed ID: 16851304
[TBL] [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; 150(3):034901. PubMed ID: 30660157
[TBL] [Abstract][Full Text] [Related]
19. Transport properties of mixtures by the soft-SAFT + free-volume theory: application to mixtures of n-alkanes and hydrofluorocarbons.
Llovell F; Marcos RM; Vega LF
J Phys Chem B; 2013 May; 117(17):5195-205. PubMed ID: 23566079
[TBL] [Abstract][Full Text] [Related]
20. Extension of the transferable potentials for phase equilibria force field to dimethylmethyl phosphonate, sarin, and soman.
Sokkalingam N; Kamath G; Coscione M; Potoff JJ
J Phys Chem B; 2009 Jul; 113(30):10292-7. PubMed ID: 19719285
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
