-
4
-
-
33645646005
-
-
0001-1541. 10.1002/aic.10713
-
J. Z. Wu, AIChE J. 0001-1541 52, 1169 (2006). 10.1002/aic.10713
-
(2006)
AIChE J.
, vol.52
, pp. 1169
-
-
Wu, J.Z.1
-
5
-
-
33846978150
-
Density-functional theory for complex fluids
-
DOI 10.1146/annurev.physchem.58.032806.104650
-
J. Z. Wu and Z. Li, Annu. Rev. Phys. Chem. 0066-426X 58, 85 (2007). 10.1146/annurev.physchem.58.032806.104650 (Pubitemid 46877586)
-
(2007)
Annual Review of Physical Chemistry
, vol.58
, pp. 85-112
-
-
Wu, J.1
Li, Z.2
-
6
-
-
0037175696
-
Density functional theory of inhomogeneous classical fluids: Recent developments and new perspectives
-
DOI 10.1088/0953-8984/14/46/301, PII S0953898402527910
-
H. Löwen, J. Phys.: Condens. Matter 0953-8984 14, 11897 (2002). 10.1088/0953-8984/14/46/301 (Pubitemid 35433998)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.46
, pp. 11897-11905
-
-
Lowen, H.1
-
8
-
-
0024886539
-
SAFT. Equation-of-state solution model for associating fluids
-
DOI 10.1016/0378-3812(89)80308-5
-
W. G. Chapman, K. E. Gubbins, G. Jackson, and M. Radosz, Fluid Phase Equilib. 0378-3812 52, 31 (1989). 10.1016/0378-3812(89)80308-5 (Pubitemid 20652382)
-
(1989)
Fluid Phase Equilibria
, vol.52
, Issue.PART 1
, pp. 31-38
-
-
Chapman, W.G.1
Gubbins, K.E.2
Jackson, G.3
Radosz, M.4
-
9
-
-
0021408850
-
-
0022-4715. 10.1007/BF01017362
-
M. S. Wertheim, J. Stat. Phys. 0022-4715 35, 19 (1984). 10.1007/BF01017362
-
(1984)
J. Stat. Phys.
, vol.35
, pp. 19
-
-
Wertheim, M.S.1
-
10
-
-
0021407359
-
-
0022-4715. 10.1007/BF01017363
-
M. S. Wertheim, J. Stat. Phys. 0022-4715 35, 35 (1984). 10.1007/BF01017363
-
(1984)
J. Stat. Phys.
, vol.35
, pp. 35
-
-
Wertheim, M.S.1
-
11
-
-
13444285081
-
-
0022-4715. 10.1007/BF01127721
-
M. S. Wertheim, J. Stat. Phys. 0022-4715 42, 459 (1986). 10.1007/BF01127721
-
(1986)
J. Stat. Phys.
, vol.42
, pp. 459
-
-
Wertheim, M.S.1
-
12
-
-
0342653160
-
-
0022-4715. 10.1007/BF01127722
-
M. S. Wertheim, J. Stat. Phys. 0022-4715 42, 477 (1986). 10.1007/BF01127722
-
(1986)
J. Stat. Phys.
, vol.42
, pp. 477
-
-
Wertheim, M.S.1
-
13
-
-
0000620379
-
-
0021-9606. 10.1063/1.473101
-
A. GilVillegas, A. Galindo, P. J. Whitehead, S. J. Mills, G. Jackson, and A. N. Burgess, J. Chem. Phys. 0021-9606 106, 4168 (1997). 10.1063/1.473101
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 4168
-
-
Gilvillegas, A.1
Galindo, A.2
Whitehead, P.J.3
Mills, S.J.4
Jackson, G.5
Burgess, A.N.6
-
14
-
-
85024863271
-
-
0026-8976. 10.1080/00268979809482207
-
A. Galindo, L. A. Davies, A. Gil-Villegas, and G. Jackson, Mol. Phys. 0026-8976 93, 241 (1998). 10.1080/00268979809482207
-
(1998)
Mol. Phys.
, vol.93
, pp. 241
-
-
Galindo, A.1
Davies, L.A.2
Gil-Villegas, A.3
Jackson, G.4
-
20
-
-
0000911347
-
-
0026-8976
-
C. J. Segura, E. V. Vakarin, W. G. Chapman, and M. F. Holovko, Mol. Phys. 0026-8976 108, 4837 (1998).
-
(1998)
Mol. Phys.
, vol.108
, pp. 4837
-
-
Segura, C.J.1
Vakarin, E.V.2
Chapman, W.G.3
Holovko, M.F.4
-
21
-
-
0034506264
-
Evaluation of liquid-vapor density profiles for associating fluids in pores from density-functional theory
-
DOI 10.1063/1.1323747
-
O. Pizio, A. Patrykiejew, and S. Sokolowski, J. Chem. Phys. 0021-9606 113, 10761 (2000). 10.1063/1.1323747 (Pubitemid 32076975)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.23
, pp. 10761-10767
-
-
Pizio, O.1
Patrykiejew, A.2
Sokolowski, S.3
-
22
-
-
0035923938
-
An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach
-
DOI 10.1080/00268970110075176
-
F. J. Blas, E. M. del Rio, E. de Miguel, and G. Jackson, Mol. Phys. 0026-8976 99, 1851 (2001). 10.1080/00268970110075176 (Pubitemid 35227829)
-
(2001)
Molecular Physics
, vol.99
, Issue.22
, pp. 1851-1865
-
-
Blas, F.J.1
Del Rio, E.M.2
De Miguel, E.3
Jackson, G.4
-
23
-
-
0037156150
-
A fundamental-measure theory for inhomogeneous associating fluids
-
DOI 10.1063/1.1463435
-
Y. X. Yu and J. Z. Wu, J. Chem. Phys. 0021-9606 116, 7094 (2002). 10.1063/1.1463435 (Pubitemid 34537092)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.16
, pp. 7094-7103
-
-
Yu, Y.-X.1
Wu, J.2
-
24
-
-
14344265647
-
-
0888-5885. 10.1021/ie049788a
-
D. Fu and J. Z. Wu, Ind. Eng. Chem. Res. 0888-5885 44, 1120 (2005). 10.1021/ie049788a
-
(2005)
Ind. Eng. Chem. Res.
, vol.44
, pp. 1120
-
-
Fu, D.1
Wu, J.Z.2
-
25
-
-
33746080883
-
Density functional theory for inhomogeneous associating chain fluids
-
DOI 10.1063/1.2212944
-
P. Bryk, S. Sokolowski, and O. Pizio, J. Chem. Phys. 0021-9606 125, 024909 (2006). 10.1063/1.2212944 (Pubitemid 44079162)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.2
, pp. 024909
-
-
Bryk, P.1
Sokolowski, S.2
Pizio, O.3
-
26
-
-
22944450020
-
Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures
-
DOI 10.1063/1.1853371, 094506
-
S. Tripathi and W. G. Chapman, J. Chem. Phys. 0021-9606 122, 094506 (2005). 10.1063/1.1853371 (Pubitemid 41042156)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.9
, pp. 1-11
-
-
Tripathi, S.1
Chapman, W.G.2
-
27
-
-
18144396561
-
-
0031-9007. 10.1103/PhysRevLett.94.087801
-
S. Tripathi and W. G. Chapman, Phys. Rev. Lett. 0031-9007 94, 087801 (2005). 10.1103/PhysRevLett.94.087801
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 087801
-
-
Tripathi, S.1
Chapman, W.G.2
-
28
-
-
0011775424
-
-
0021-9606. 10.1063/1.453326
-
M. S. Wertheim, J. Chem. Phys. 0021-9606 87, 7323 (1987). 10.1063/1.453326
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 7323
-
-
Wertheim, M.S.1
-
32
-
-
0038334143
-
Interface and surface properties of short polymers in solution: Monte Carlo simulations and self-consistent field theory
-
DOI 10.1021/ma991796t
-
M. Muller and L. G. MacDowell, Macromolecules 0024-9297 33, 3902 (2000). 10.1021/ma991796t (Pubitemid 30860923)
-
(2000)
Macromolecules
, vol.33
, Issue.10
, pp. 3902-3923
-
-
Muller, M.1
MacDowell, L.G.2
-
33
-
-
0036678668
-
Density functional theory for inhomogeneous mixtures of polymeric fluids
-
DOI 10.1063/1.1491240
-
Y. X. Yu and J. Z. Wu, J. Chem. Phys. 0021-9606 117, 2368 (2002). 10.1063/1.1491240 (Pubitemid 34916809)
-
(2002)
Journal of Chemical Physics
, vol.117
, Issue.5
, pp. 2368-2376
-
-
Yu, Y.-X.1
Wu, J.2
-
35
-
-
4244202584
-
-
0031-9007. 10.1103/PhysRevLett.63.980
-
Y. Rosenfeld, Phys. Rev. Lett. 0031-9007 63, 980 (1989). 10.1103/PhysRevLett.63.980
-
(1989)
Phys. Rev. Lett.
, vol.63
, pp. 980
-
-
Rosenfeld, Y.1
-
36
-
-
0037175734
-
Fundamental measure theory for hard-sphere mixtures revisited: The white bear version
-
DOI 10.1088/0953-8984/14/46/313, PII S0953898402384261
-
R. Roth, R. Evans, A. Lang, and G. Kahl, J. Phys.: Condens. Matter 0953-8984 14, 12063 (2002). 10.1088/0953-8984/14/46/313 (Pubitemid 35434009)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.46
, pp. 12063-12078
-
-
Roth, R.1
Evans, R.2
Lang, A.3
Kahl, G.4
-
37
-
-
0037045171
-
-
0021-9606. 10.1063/1.1520530
-
Y. X. Yu and J. Z. Wu, J. Chem. Phys. 0021-9606 117, 10156 (2002). 10.1063/1.1520530
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 10156
-
-
Yu, Y.X.1
Wu, J.Z.2
-
38
-
-
0001357303
-
-
1063-651X. 10.1103/PhysRevE.48.618
-
S. Phan, E. Kierlik, M. L. Rosinberg, B. Bildstein, and G. Kahl, Phys. Rev. E 1063-651X 48, 618 (1993). 10.1103/PhysRevE.48.618
-
(1993)
Phys. Rev. e
, vol.48
, pp. 618
-
-
Phan, S.1
Kierlik, E.2
Rosinberg, M.L.3
Bildstein, B.4
Kahl, G.5
-
40
-
-
0037196791
-
A SAFT-DFT approach for the vapour-liquid interface of associating fluids
-
DOI 10.1016/S0378-3812(01)00774-9, PII S0378381201007749
-
G. J. Gloor, F. J. Blas, E. M. del Rio, E. de Miguel, and G. Jackson, Fluid Phase Equilib. 0378-3812 194-197, 521 (2002). 10.1016/S0378-3812(01)00774- 9 (Pubitemid 34242586)
-
(2002)
Fluid Phase Equilibria
, vol.194-197
, pp. 521-530
-
-
Gloor, G.J.1
Blas, F.J.2
Del Rio, E.M.3
De Miguel, E.4
Jackson, G.5
-
41
-
-
22544480931
-
An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range
-
DOI 10.1063/1.1807833
-
G. J. Gloor, G. Jackson, F. J. Blas, E. M. del Rio, and E. de Miguel, J. Chem. Phys. 0021-9606 121, 12740 (2004). 10.1063/1.1807833 (Pubitemid 41041631)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.24
, pp. 12740-12759
-
-
Gloor, G.J.1
Jackson, G.2
Blas, F.J.3
Del Rio, E.M.4
De Miguel, E.5
-
42
-
-
36048941035
-
Prediction of the vapor-liquid interfacial tension of nonassociating and associating fluids with the SAFT-VR density functional theory
-
DOI 10.1021/jp072344i
-
G. J. Gloor, G. Jackson, F. J. Blas, E. M. del Rio, and E. de Miguel, J. Phys. Chem. C 1932-7447 111, 15513 (2007). 10.1021/jp072344i (Pubitemid 350097614)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.43
, pp. 15513-15522
-
-
Gloor, G.J.1
Jackson, G.2
Blas, F.J.3
Martin Del Rio, E.4
De Miguel, E.5
-
44
-
-
26944479727
-
-
0001-1541. 10.1002/aic.10502
-
J. Gross, AIChE J. 0001-1541 51, 2556 (2005). 10.1002/aic.10502
-
(2005)
AIChE J.
, vol.51
, pp. 2556
-
-
Gross, J.1
-
45
-
-
33645633513
-
-
0001-1541. 10.1002/aic.10683
-
J. Gross and J. Vrabec, AIChE J. 0001-1541 52, 1194 (2006). 10.1002/aic.10683
-
(2006)
AIChE J.
, vol.52
, pp. 1194
-
-
Gross, J.1
Vrabec, J.2
-
46
-
-
38649125207
-
Vapor-liquid equilibria simulation and an equation of state contribution for dipole-quadrupole interactions
-
DOI 10.1021/jp072619u
-
J. Vrabec and J. Gross, J. Phys. Chem. B 1089-5647 112, 51 (2008). 10.1021/jp072619u (Pubitemid 351169883)
-
(2008)
Journal of Physical Chemistry B
, vol.112
, Issue.1
, pp. 51-60
-
-
Vrabec, J.1
Gross, J.2
-
47
-
-
33646363762
-
An equation of state contribution for polar components: Polarizable dipoles
-
DOI 10.1002/aic.10791
-
M. Kleiner and J. Gross, AIChE J. 0001-1541 52, 1951 (2006). 10.1002/aic.10791 (Pubitemid 43666968)
-
(2006)
AIChE Journal
, vol.52
, Issue.5
, pp. 1951-1961
-
-
Kleiner, M.1
Gross, J.2
-
48
-
-
33749827472
-
Bulk and interfacial properties of polymers from interfacial SAFT density functional theory
-
DOI 10.1021/ie060329e
-
A. Dominik, S. Tripathi, and W. G. Chapman, Ind. Eng. Chem. Res. 0888-5885 45, 6785 (2006). 10.1021/ie060329e (Pubitemid 44562348)
-
(2006)
Industrial and Engineering Chemistry Research
, vol.45
, Issue.20
, pp. 6785-6792
-
-
Dominik, A.1
Tripathi, S.2
Chapman, W.G.3
-
49
-
-
0034728489
-
Application of perturbation theory to a hard-chain reference fluid: An equation of state for square-well chains
-
DOI 10.1016/S0378-3812(00)00302-2, PII S0378381200003022
-
J. Gross and G. Sadowski, Fluid Phase Equilib. 0378-3812 168, 183 (2000). 10.1016/S0378-3812(00)00302-2 (Pubitemid 30195619)
-
(2000)
Fluid Phase Equilibria
, vol.168
, Issue.2
, pp. 183-199
-
-
Gross, J.1
Sadowski, G.2
-
52
-
-
26644462846
-
-
0026-8976. 10.1080/00268979100101251
-
Y. C. Chiew, Mol. Phys. 0026-8976 73, 359 (1991). 10.1080/ 00268979100101251
-
(1991)
Mol. Phys.
, vol.73
, pp. 359
-
-
Chiew, Y.C.1
-
53
-
-
0000442601
-
-
0021-9606. 10.1063/1.472680
-
Y. Tang and B. C.-Y. Lu, J. Chem. Phys. 0021-9606 105, 8262 (1996). 10.1063/1.472680
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 8262
-
-
Tang, Y.1
Lu, B.C.-Y.2
-
54
-
-
0001470701
-
-
1742-6588
-
J. Meunier, J. Phys. 48, 1819 (1987). 1742-6588
-
(1987)
J. Phys.
, vol.48
, pp. 1819
-
-
Meunier, J.1
-
55
-
-
0004273321
-
-
edited by I. Prigogine and S. A. Rice (Wiley, New York)
-
D. Bedeaux, in Advances in Chemical Physics, edited by, I. Prigogine, and, S. A. Rice, (Wiley, New York, 1986), Vol. 64.
-
(1986)
Advances in Chemical Physics
, vol.64
-
-
Bedeaux, D.1
-
56
-
-
0001472633
-
-
1063-651X. 10.1103/PhysRevE.59.6766
-
K. R. Mecke and S. Dietrich, Phys. Rev. E 1063-651X 59, 6766 (1999). 10.1103/PhysRevE.59.6766
-
(1999)
Phys. Rev. e
, vol.59
, pp. 6766
-
-
Mecke, K.R.1
Dietrich, S.2
-
57
-
-
35948946137
-
Critical analysis of the density functional theory prediction of enhanced capillary waves
-
DOI 10.1103/PhysRevLett.99.196101
-
P. Tarazona, R. Checa, and E. Chacón, Phys. Rev. Lett. 0031-9007 99, 196101 (2007). 10.1103/PhysRevLett.99.196101 (Pubitemid 350074481)
-
(2007)
Physical Review Letters
, vol.99
, Issue.19
, pp. 196101
-
-
Tarazona, P.1
Checa, R.2
Chacon, E.3
-
58
-
-
0001565356
-
-
1050-2947. 10.1103/PhysRevA.31.1022
-
M. R. Moldover, Phys. Rev. A 1050-2947 31, 1022 (1985). 10.1103/PhysRevA.31.1022
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1022
-
-
Moldover, M.R.1
-
59
-
-
3643075687
-
-
0021-9606. 10.1063/1.1671544
-
S. Fisk and B. Widom, J. Chem. Phys. 0021-9606 50, 3219 (1969). 10.1063/1.1671544
-
(1969)
J. Chem. Phys.
, vol.50
, pp. 3219
-
-
Fisk, S.1
Widom, B.2
-
60
-
-
49549104442
-
-
0378-3812. 10.1016/j.fluid.2008.06.002
-
H. Kahl and J. Winkelmann, Fluid Phase Equilib. 0378-3812 270, 50 (2008). 10.1016/j.fluid.2008.06.002
-
(2008)
Fluid Phase Equilib
, vol.270
, pp. 50
-
-
Kahl, H.1
Winkelmann, J.2
-
61
-
-
24844470014
-
-
1050-2947. 10.1103/PhysRevA.25.1699
-
K. Binder, Phys. Rev. A 1050-2947 25, 1699 (1982). 10.1103/PhysRevA.25. 1699
-
(1982)
Phys. Rev. A
, vol.25
, pp. 1699
-
-
Binder, K.1
-
63
-
-
0000357551
-
-
The data for methane are taken from, 0044-4537
-
The data for methane are taken from V. G. Baidakov, K. V. Khvostov, and G. N. Muratov, Zh. Fiz. Khim. 0044-4537 56, 814 (1982)
-
(1982)
Zh. Fiz. Khim.
, vol.56
, pp. 814
-
-
Baidakov, V.G.1
Khvostov, K.V.2
Muratov, G.N.3
-
64
-
-
0342464450
-
-
The data for ethane 0503-1265 (Russ. Ed.)
-
The data for ethane are from V. G. Baidakov and I. I. Sulla, Ukr. Fiz. Zh. (Russ. Ed.) 0503-1265 32, 885 (1987)
-
(1987)
Ukr. Fiz. Zh.
, vol.32
, pp. 885
-
-
Baidakov, V.G.1
Sulla, I.I.2
-
65
-
-
71549149574
-
-
note
-
For all other n-alkanes, correlations provided by Ref. NIST, 2009 are here considered as quasiexperimental data.
-
-
-
-
66
-
-
0024037987
-
-
0195-928X. 10.1007/BF00503154
-
G. R. Somayajulu, Int. J. Thermophys. 0195-928X 9, 559 (1988). 10.1007/BF00503154
-
(1988)
Int. J. Thermophys.
, vol.9
, pp. 559
-
-
Somayajulu, G.R.1
-
67
-
-
71549172407
-
-
note
-
E. W. Lemmon, M. O. McLinden, and D. G. Friend, NIST Standard Reference Database No. 69 (National Institute of Standards and Technology, Gaithersburg, MD, 20899, 2009), Chap Thermophysical Properties of Fluid Systems, http://webbook.nist.gov (retrieved August 17, 2009).
-
(2009)
-
-
-
68
-
-
0039203668
-
-
(American Petroleum Institute Research Project 44, Thermodynamic Research Center, Texas A&M University, College Station)
-
C. C. Williams and B. J. Zwolinski, in Selected Values of Properties of Hydrocarbons and Related Compounds (American Petroleum Institute Research Project 44, Thermodynamic Research Center, Texas A&M University, College Station, 1980).
-
(1980)
Selected Values of Properties of Hydrocarbons and Related Compounds
-
-
Williams, C.C.1
Zwolinski, B.J.2
-
70
-
-
37049173354
-
-
0368-1769
-
S. Sugden, J. Chem. Soc. 0368-1769 125, 32 (1924).
-
(1924)
J. Chem. Soc.
, vol.125
, pp. 32
-
-
Sugden, S.1
-
71
-
-
0001211793
-
-
1050-2947. 10.1103/PhysRevA.45.7330
-
P. Frodl and S. Dietrich, Phys. Rev. A 1050-2947 45, 7330 (1992). 10.1103/PhysRevA.45.7330
-
(1992)
Phys. Rev. A
, vol.45
, pp. 7330
-
-
Frodl, P.1
Dietrich, S.2
-
72
-
-
25944464605
-
-
1063-651X. 10.1103/PhysRevE.48.3741
-
P. Frodl and S. Dietrich, Phys. Rev. E 1063-651X 48, 3741 (1993). 10.1103/PhysRevE.48.3741
-
(1993)
Phys. Rev. e
, vol.48
, pp. 3741
-
-
Frodl, P.1
Dietrich, S.2
-
74
-
-
0031582023
-
Density-functional approach to the theory of dipolar fluids
-
DOI 10.1088/0305-4470/30/6/020
-
M. A. Osipov, P. I. C. Teixeira, and M. M. Telo da Gama, J. Phys. A 0305-4470 30, 1953 (1997). 10.1088/0305-4470/30/6/020 (Pubitemid 127041748)
-
(1997)
Journal of Physics A: Mathematical and General
, vol.30
, Issue.6
, pp. 1953-1966
-
-
Osipov, M.A.1
Teixeira, P.I.C.2
Telo Da Gama, M.M.3
-
75
-
-
0035310286
-
Molecular dynamics simulation of the liquid-vapor interface of dipolar fluids under different electrostatic boundary conditions
-
DOI 10.1063/1.1349177
-
M. Mecke, J. Fischer, and J. Winkelmann, J. Chem. Phys. 0021-9606 114, 5842 (2001). 10.1063/1.1349177 (Pubitemid 32400245)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.13
, pp. 5842-5852
-
-
Mecke, M.1
Fischer, J.2
Winkelmann, J.3
-
76
-
-
3142735913
-
-
10.1016/j.molliq.2003.12.020
-
S. Enders, H. Kahl, M. Mecke, and J. Winkelmann, J. Mol. Liquids 115, 29 (2004). 10.1016/j.molliq.2003.12.020
-
(2004)
J. Mol. Liquids
, vol.115
, pp. 29
-
-
Enders, S.1
Kahl, H.2
Mecke, M.3
Winkelmann, J.4
-
77
-
-
0035963039
-
The liquid-vapour interface of pure fluids and mixtures: Application of computer simulation and density functional theory
-
DOI 10.1088/0953-8984/13/21/308, PII S0953898401210327
-
J. Winkelmann, J. Phys.: Condens. Matter 0953-8984 13, 4739 (2001). 10.1088/0953-8984/13/21/308 (Pubitemid 32527841)
-
(2001)
Journal of Physics Condensed Matter
, vol.13
, Issue.21
, pp. 4739-4768
-
-
Winkelmann, J.1
|