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Items: 1 to 20 of 182

1.

An examination of the ternary methane + carbon dioxide + water phase diagram using the SAFT-VR approach.

Míguez JM, dos Ramos MC, Piñeiro MM, Blas FJ.

J Phys Chem B. 2011 Aug 11;115(31):9604-17. doi: 10.1021/jp2017488. Epub 2011 Jul 19.

PMID:
21711035
2.

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
3.

Predicting mixture phase equilibria and critical behavior using the SAFT-VRX approach.

Sun L, Zhao H, Kiselev SB, McCabe C.

J Phys Chem B. 2005 May 12;109(18):9047-58.

PMID:
16852077
4.

Experimental and molecular modeling study of the three-phase behavior of (n-decane + carbon dioxide + water) at reservoir conditions.

Forte E, Galindo A, Trusler JP.

J Phys Chem B. 2011 Dec 15;115(49):14591-609. doi: 10.1021/jp206806a. Epub 2011 Nov 14.

PMID:
22029406
5.
6.

A global investigation of phase equilibria using the perturbed-chain statistical-associating-fluid-theory approach.

Yelash L, Müller M, Paul W, Binder K.

J Chem Phys. 2005 Jul 1;123(1):014908.

PMID:
16035870
8.

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
9.

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 5;119(44):14288-302. doi: 10.1021/acs.jpcb.5b07845. Epub 2015 Oct 26.

PMID:
26465671
10.
11.
12.

Phase equilibrium of binary mixtures of cyclic ethers + chlorobutane isomers: experimental measurements and SAFT-VR modeling.

Giner B, Gascón I, Artigas H, Lafuente C, Galindo A.

J Phys Chem B. 2007 Aug 16;111(32):9588-97. Epub 2007 Jul 21.

PMID:
17658794
13.

Modeling the phase behavior of H2S+n-alkane binary mixtures using the SAFT-VR+D approach.

dos Ramos MC, Goff KD, Zhao H, McCabe C.

J Phys Chem B. 2008 Aug 7;112(31):9417-27. doi: 10.1021/jp800397n. Epub 2008 Jul 16.

PMID:
18630859
14.
15.
16.

Experimental and modeling study of the phase behavior of (methane + CO2 + water) mixtures.

Al Ghafri SZ, Forte E, Maitland GC, Rodriguez-Henríquez JJ, Trusler JP.

J Phys Chem B. 2014 Dec 11;118(49):14461-78. doi: 10.1021/jp509678g. Epub 2014 Dec 3.

PMID:
25406634
17.

Artificial multiple criticality and phase equilibria: an investigation of the PC-SAFT approach.

Yelash L, Müller M, Paul W, Binder K.

Phys Chem Chem Phys. 2005 Nov 7;7(21):3728-32. Epub 2005 Sep 9.

PMID:
16358021
18.

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
19.

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
20.

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

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