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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. doi: 10.1021/jp204908d. Epub 2011 Sep 2.

PMID:
21815624
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 7;117(9):2717-33. doi: 10.1021/jp306442b. Epub 2013 Feb 27.

PMID:
23311931
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;5:405-27. doi: 10.1146/annurev-chembioeng-061312-103314. Epub 2014 Mar 31. Review.

PMID:
24702297
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. doi: 10.1063/1.4819786.

PMID:
24160524
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.

PMID:
18154411
6.
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. doi: 10.1063/1.3570614.

PMID:
21513370
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.

PMID:
17764276
9.

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 2;116(30):9089-100. doi: 10.1021/jp303166f. Epub 2012 Jul 11.

PMID:
22712755
10.

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. doi: 10.1063/1.4838457.

PMID:
24359349
11.

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. doi: 10.1063/1.2837291.

PMID:
18345900
12.

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 2;114(34):11110-6. doi: 10.1021/jp103292e.

PMID:
20698517
13.
14.

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. doi: 10.1063/1.3050353.

PMID:
19191371
15.

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 5;111(13):3447-61. Epub 2007 Mar 14.

PMID:
17388508
16.

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 7;140(5):054107. doi: 10.1063/1.4851455.

PMID:
24511922
17.

Transferable SAFT-VR models for the calculation of the fluid phase equilibria in reactive mixtures of carbon dioxide, water, and n-alkylamines in the context of carbon capture.

Mac Dowell N, Pereira FE, Llovell F, Blas FJ, Adjiman CS, Jackson G, Galindo A.

J Phys Chem B. 2011 Jun 30;115(25):8155-68. doi: 10.1021/jp107467s. Epub 2011 Jun 2.

PMID:
21634388
19.

Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data.

DeVane R, Klein ML, Chiu CC, Nielsen SO, Shinoda W, Moore PB.

J Phys Chem B. 2010 May 20;114(19):6386-93. doi: 10.1021/jp9117369.

PMID:
20426449
20.
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