-
1
-
-
0021408850
-
Fluids with highly directional attractive forces. 1. Statistical thermodynamics
-
Wertheim, M. S. Fluids with highly directional attractive forces. 1. Statistical thermodynamics J. Stat. Phys. 1984, 35, 19-34
-
(1984)
J. Stat. Phys.
, vol.35
, pp. 19-34
-
-
Wertheim, M.S.1
-
2
-
-
0021407359
-
Fluids with highly directional attractive forces. 2. Thermodynamic perturbation-theory and integral-equations
-
Wertheim, M. S. Fluids with highly directional attractive forces. 2. Thermodynamic perturbation-theory and integral-equations J. Stat. Phys. 1984, 35, 35-47
-
(1984)
J. Stat. Phys.
, vol.35
, pp. 35-47
-
-
Wertheim, M.S.1
-
3
-
-
13444285081
-
Fluids with highly directional attractive forces. 3. Multiple attraction sites
-
Wertheim, M. S. Fluids with highly directional attractive forces. 3. Multiple attraction sites J. Stat. Phys. 1986, 42, 459-476
-
(1986)
J. Stat. Phys.
, vol.42
, pp. 459-476
-
-
Wertheim, M.S.1
-
4
-
-
0342653160
-
Fluids with highly directional attractive forces. 4. Equilibrium polymerization
-
Wertheim, M. S. Fluids with highly directional attractive forces. 4. Equilibrium polymerization J. Stat. Phys. 1986, 42, 477-492
-
(1986)
J. Stat. Phys.
, vol.42
, pp. 477-492
-
-
Wertheim, M.S.1
-
5
-
-
84927474158
-
Phase-equilibria of associating fluids chain molecules with multiple bonding sites
-
Chapman, W. G.; Jackson, G.; Gubbins, K. E. Phase-equilibria of associating fluids chain molecules with multiple bonding sites Mol. Phys. 1988, 65, 1057-1079
-
(1988)
Mol. Phys.
, vol.65
, pp. 1057-1079
-
-
Chapman, W.G.1
Jackson, G.2
Gubbins, K.E.3
-
6
-
-
84890181589
-
Phase equilibria of associating fluids - Spherical molecules with multiple bonding sites
-
Jackson, G.; Chapman, W. G.; Gubbins, K. E. Phase equilibria of associating fluids - Spherical molecules with multiple bonding sites Mol. Phys. 1988, 65, 1-31
-
(1988)
Mol. Phys.
, vol.65
, pp. 1-31
-
-
Jackson, G.1
Chapman, W.G.2
Gubbins, K.E.3
-
7
-
-
0024886539
-
Saft equation-of-state solution model for associating fluids
-
Chapman, W. G.; Gubbins, K. E.; Jackson, G.; Radosz, M. Saft equation-of-state solution model for associating fluids Fluid Phase Equilib. 1989, 52, 31-38
-
(1989)
Fluid Phase Equilib.
, vol.52
, pp. 31-38
-
-
Chapman, W.G.1
Gubbins, K.E.2
Jackson, G.3
Radosz, M.4
-
8
-
-
0031996695
-
Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state
-
Blas, F. J.; Vega, L. F. Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state Ind. Eng. Chem. Res. 1998, 37, 660-674
-
(1998)
Ind. Eng. Chem. Res.
, vol.37
, pp. 660-674
-
-
Blas, F.J.1
Vega, L.F.2
-
9
-
-
0035972396
-
Vapor-liquid equilibria and critical behavior of heavy n -alkanes using transferable parameters from the soft-SAFT equation of state
-
Pamies, J. C.; Vega, L. F. Vapor-liquid equilibria and critical behavior of heavy n -alkanes using transferable parameters from the soft-SAFT equation of state Ind. Eng. Chem. Res. 2001, 40, 2532-2543
-
(2001)
Ind. Eng. Chem. Res.
, vol.40
, pp. 2532-2543
-
-
Pamies, J.C.1
Vega, L.F.2
-
10
-
-
0000620379
-
Statistical associating fluid theory for chain molecules with attractive potentials of variable range
-
GilVillegas, A.; Galindo, A.; Whitehead, P. J.; Mills, S. J.; Jackson, G.; Burgess, A. N. Statistical associating fluid theory for chain molecules with attractive potentials of variable range J. Chem. Phys. 1997, 106, 4168-4186
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 4168-4186
-
-
Gilvillegas, A.1
Galindo, A.2
Whitehead, P.J.3
Mills, S.J.4
Jackson, G.5
Burgess, A.N.6
-
11
-
-
85024863271
-
The thermodynamics of mixtures and the corresponding mixing rules in the SAFT-VR approach for potentials of variable range
-
Galindo, A.; Davies, L. A.; Gil-Villegas, A.; Jackson, G. The thermodynamics of mixtures and the corresponding mixing rules in the SAFT-VR approach for potentials of variable range Mol. Phys. 1998, 93, 241-252
-
(1998)
Mol. Phys.
, vol.93
, pp. 241-252
-
-
Galindo, A.1
Davies, L.A.2
Gil-Villegas, A.3
Jackson, G.4
-
12
-
-
37549040523
-
A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-γ)
-
Lymperiadis, A.; Adjiman, C. S.; Galindo, A.; Jackson, G. A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-γ) J. Chem. Phys. 2007, 127, 234903
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 234903
-
-
Lymperiadis, A.1
Adjiman, C.S.2
Galindo, A.3
Jackson, G.4
-
13
-
-
55549138349
-
A generalisation of the SAFT-group contribution method for groups comprising multiple spherical segments
-
Lymperiadis, A.; Adjiman, C. S.; Jackson, G.; Galindo, A. A generalisation of the SAFT-group contribution method for groups comprising multiple spherical segments Fluid Phase Equilib. 2008, 274, 85-104
-
(2008)
Fluid Phase Equilib.
, vol.274
, pp. 85-104
-
-
Lymperiadis, A.1
Adjiman, C.S.2
Jackson, G.3
Galindo, A.4
-
14
-
-
0034728489
-
Application of perturbation theory to a hard-chain reference fluid: An equation of state for square-well chains
-
Gross, J.; Sadowski, G. Application of perturbation theory to a hard-chain reference fluid: An equation of state for square-well chains Fluid Phase Equilib. 2000, 168, 183-199
-
(2000)
Fluid Phase Equilib.
, vol.168
, pp. 183-199
-
-
Gross, J.1
Sadowski, G.2
-
15
-
-
0035925248
-
Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules
-
Gross, J.; Sadowski, G. Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules Ind. Eng. Chem. Res. 2001, 40, 1244-1260
-
(2001)
Ind. Eng. Chem. Res.
, vol.40
, pp. 1244-1260
-
-
Gross, J.1
Sadowski, G.2
-
16
-
-
26944479727
-
An equation-of-state contribution for polar components: Quadrupolar molecules
-
Gross, J. An equation-of-state contribution for polar components: Quadrupolar molecules AIChE J. 2005, 51, 2556-2568
-
(2005)
AIChE J.
, vol.51
, pp. 2556-2568
-
-
Gross, J.1
-
17
-
-
33645633513
-
An equation-of-state contribution for polar components: Dipolar molecules
-
Gross, J.; Vrabec, J. An equation-of-state contribution for polar components: Dipolar molecules AIChE J. 2006, 52, 1194-1204
-
(2006)
AIChE J.
, vol.52
, pp. 1194-1204
-
-
Gross, J.1
Vrabec, J.2
-
18
-
-
33646363762
-
An equation of state contribution for polar components: Polarizable dipoles
-
Kleiner, M.; Gross, J. An equation of state contribution for polar components: Polarizable dipoles AIChE J. 2006, 52, 1951-1961
-
(2006)
AIChE J.
, vol.52
, pp. 1951-1961
-
-
Kleiner, M.1
Gross, J.2
-
19
-
-
38649125207
-
Vapor-liquid equilibria simulation and an equation of state contribution for dipole-quadrupole interactions
-
Vrabec, J.; Gross, J. Vapor-liquid equilibria simulation and an equation of state contribution for dipole-quadrupole interactions J. Phys. Chem. B 2008, 112, 51-60
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 51-60
-
-
Vrabec, J.1
Gross, J.2
-
20
-
-
0035897469
-
Molecular-based equations of state for associating fluids: A review of SAFT and related approaches
-
Müller, E. A.; Gubbins, K. E. Molecular-based equations of state for associating fluids: A review of SAFT and related approaches Ind. Eng. Chem. Res. 2001, 40, 2193-2211
-
(2001)
Ind. Eng. Chem. Res.
, vol.40
, pp. 2193-2211
-
-
Müller, E.A.1
Gubbins, K.E.2
-
21
-
-
0037028813
-
Statistical associating fluid theory: A successful model for the calculation of thermodynamic and phase equilibrium properties of complex fluid mixtures
-
Economou, I. G. Statistical associating fluid theory: A successful model for the calculation of thermodynamic and phase equilibrium properties of complex fluid mixtures Ind. Eng. Chem. Res. 2002, 41, 953-962
-
(2002)
Ind. Eng. Chem. Res.
, vol.41
, pp. 953-962
-
-
Economou, I.G.1
-
22
-
-
0037196837
-
Recent advances in the use of the SAFT approach in describing electrolytes, interfaces, liquid crystals, and polymers
-
Paricaud, P.; Galindo, A.; Jackson, G. Recent advances in the use of the SAFT approach in describing electrolytes, interfaces, liquid crystals, and polymers Fluid Phase Equilib. 2002, 194, 87-96
-
(2002)
Fluid Phase Equilib.
, vol.194
, pp. 87-96
-
-
Paricaud, P.1
Galindo, A.2
Jackson, G.3
-
23
-
-
56849105487
-
Recent advances and applications of statistical associating fluid theory
-
Tan, S. P.; Adidharma, H.; Radosz, M. Recent advances and applications of statistical associating fluid theory Ind. Eng. Chem. Res. 2008, 47, 8063-8082
-
(2008)
Ind. Eng. Chem. Res.
, vol.47
, pp. 8063-8082
-
-
Tan, S.P.1
Adidharma, H.2
Radosz, M.3
-
25
-
-
0034725478
-
Calculation of surface properties of pure fluids using density gradient theory and SAFT-EOS
-
Kahl, H.; Enders, S. Calculation of surface properties of pure fluids using density gradient theory and SAFT-EOS Fluid Phase Equilib. 2000, 172, 27-42
-
(2000)
Fluid Phase Equilib.
, vol.172
, pp. 27-42
-
-
Kahl, H.1
Enders, S.2
-
26
-
-
0036009395
-
Interfacial properties of binary mixtures
-
Kahl, H.; Enders, S. Interfacial properties of binary mixtures Phys. Chem. Chem. Phys. 2002, 4, 931-936
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 931-936
-
-
Kahl, H.1
Enders, S.2
-
28
-
-
84865808581
-
Modeling of the surface tension of pure components and mixtures using the density gradient theory combined with a theoretically derived influence parameter correlation
-
Breure, B.; Peters, C. Modeling of the surface tension of pure components and mixtures using the density gradient theory combined with a theoretically derived influence parameter correlation Fluid Phase Equilib. 2012, 334, 189-196
-
(2012)
Fluid Phase Equilib.
, vol.334
, pp. 189-196
-
-
Breure, B.1
Peters, C.2
-
29
-
-
4244202584
-
Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-funtional theory of freezing
-
Rosenfeld, Y. Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-funtional theory of freezing Phys. Rev. Lett. 1989, 63, 980-983
-
(1989)
Phys. Rev. Lett.
, vol.63
, pp. 980-983
-
-
Rosenfeld, Y.1
-
30
-
-
0001357303
-
Equivalence of two free-energy models for the inhomogeneous hard-sphere fluid
-
Phan, S.; Kierlik, E.; Rosinberg, M. L.; Bildstein, B.; Kahl, G. Equivalence of two free-energy models for the inhomogeneous hard-sphere fluid Phys. Rev. E 1993, 48, 618-620
-
(1993)
Phys. Rev. e
, vol.48
, pp. 618-620
-
-
Phan, S.1
Kierlik, E.2
Rosinberg, M.L.3
Bildstein, B.4
Kahl, G.5
-
31
-
-
0037175734
-
Fundamental measure theory for hard-sphere mixtures revisited: The White Bear version
-
Roth, R.; Evans, R.; Lang, A.; Kahl, G. Fundamental measure theory for hard-sphere mixtures revisited: The White Bear version J. Phy.: Condens. Matter 2002, 14, 12063-12078
-
(2002)
J. Phy.: Condens. Matter
, vol.14
, pp. 12063-12078
-
-
Roth, R.1
Evans, R.2
Lang, A.3
Kahl, G.4
-
32
-
-
0037045171
-
Structures of hard-sphere fluids from a modified fundamental-measure theory
-
Yu, Y. X.; Wu, J. Z. Structures of hard-sphere fluids from a modified fundamental-measure theory J. Chem. Phys. 2002, 117, 10156-10164
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 10156-10164
-
-
Yu, Y.X.1
Wu, J.Z.2
-
33
-
-
0000489946
-
Hard-sphere equation of state
-
Boublk, T. Hard-sphere equation of state J. Chem. Phys. 1970, 53, 471-472
-
(1970)
J. Chem. Phys.
, vol.53
, pp. 471-472
-
-
Boublk, T.1
-
34
-
-
36849106010
-
Equilibrium thermodynamic properties of the mixture of hard spheres
-
Mansoori, G.; Carnahan, N.; Starling, K.; Leland, T., Jr. Equilibrium thermodynamic properties of the mixture of hard spheres J. Chem. Phys. 1971, 54, 1523
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 1523
-
-
Mansoori, G.1
Carnahan, N.2
Starling, K.3
Leland Jr., T.4
-
35
-
-
0012751012
-
Associating fluids with four bonding sites against a hard wall: Density functional theory
-
Segura, C. J.; Chapman, W. G.; Shukla, K. P. Associating fluids with four bonding sites against a hard wall: Density functional theory Mol. Phys. 1997, 90, 759-771
-
(1997)
Mol. Phys.
, vol.90
, pp. 759-771
-
-
Segura, C.J.1
Chapman, W.G.2
Shukla, K.P.3
-
36
-
-
0000911347
-
A comparison of density functional and integral equation theories vs Monte Carlo simulations for hard sphere associating fluids near a hard wall
-
Segura, C. J.; Vakarin, E. V.; Chapman, W. G.; Holovko, M. F. A comparison of density functional and integral equation theories vs Monte Carlo simulations for hard sphere associating fluids near a hard wall Mol. Phys. 1998, 108, 4837-4848
-
(1998)
Mol. Phys.
, vol.108
, pp. 4837-4848
-
-
Segura, C.J.1
Vakarin, E.V.2
Chapman, W.G.3
Holovko, M.F.4
-
37
-
-
0034506264
-
Evaluation of liquid-vapor density profiles for associating fluids in pores from density-functional theory
-
Pizio, O.; Patrykiejew, A.; Sokolowski, S. Evaluation of liquid-vapor density profiles for associating fluids in pores from density-functional theory J. Chem. Phys. 2000, 113, 10761-10767
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 10761-10767
-
-
Pizio, O.1
Patrykiejew, A.2
Sokolowski, S.3
-
38
-
-
0035923938
-
An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach
-
Blas, F. J.; del Rio, E. M.; de Miguel, E.; Jackson, G. An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach Mol. Phys. 2001, 99, 1851-1865
-
(2001)
Mol. Phys.
, vol.99
, pp. 1851-1865
-
-
Blas, F.J.1
Del Rio, E.M.2
De Miguel, E.3
Jackson, G.4
-
39
-
-
0037156150
-
A fundamental-measure theory for inhomogeneous associating fluids
-
Yu, Y. X.; Wu, J. Z. A fundamental-measure theory for inhomogeneous associating fluids J. Chem. Phys. 2002, 116, 7094-7103
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 7094-7103
-
-
Yu, Y.X.1
Wu, J.Z.2
-
40
-
-
33746080883
-
Density functional theory for inhomogeneous associating chain fluids
-
Bryk, P.; Sokolowski, S.; Pizio, O. Density functional theory for inhomogeneous associating chain fluids J. Chem. Phys. 2006, 125, 024909
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 024909
-
-
Bryk, P.1
Sokolowski, S.2
Pizio, O.3
-
41
-
-
0011775424
-
Thermodynamic perturbation-theory of polymerization
-
Wertheim, M. S. Thermodynamic perturbation-theory of polymerization J. Chem. Phys. 1987, 87, 7323-7331
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 7323-7331
-
-
Wertheim, M.S.1
-
42
-
-
36449003862
-
A perturbation density-functional theory for polyatomic fluids. 1. Rigid molecules
-
Kierlik, E.; Rosinberg, M. L. A perturbation density-functional theory for polyatomic fluids. 1. Rigid molecules J. Chem. Phys. 1992, 97, 9222-9239
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 9222-9239
-
-
Kierlik, E.1
Rosinberg, M.L.2
-
43
-
-
36449001329
-
A perturbation density-functional theory for polyatomic fluids. 2. Flexible molecules
-
Kierlik, E.; Rosinberg, M. L. A perturbation density-functional theory for polyatomic fluids. 2. Flexible molecules J. Chem. Phys. 1993, 99, 3950-3965
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 3950-3965
-
-
Kierlik, E.1
Rosinberg, M.L.2
-
44
-
-
36449006165
-
Perturbation density-functional theory for polyatomic fluids. 3. Application to hard chain molecules in slitlike pores
-
Kierlik, E.; Rosinberg, M. L. Perturbation density-functional theory for polyatomic fluids. 3. Application to hard chain molecules in slitlike pores J. Chem. Phys. 1994, 100, 1716-1730
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 1716-1730
-
-
Kierlik, E.1
Rosinberg, M.L.2
-
45
-
-
0038334143
-
Interface and surface properties of short polymers in solution: Monte Carlo simulations and self-consistent field theory
-
Muller, M.; MacDowell, L. G. Interface and surface properties of short polymers in solution: Monte Carlo simulations and self-consistent field theory Macromolecules 2000, 33, 3902-3923
-
(2000)
Macromolecules
, vol.33
, pp. 3902-3923
-
-
Muller, M.1
Macdowell, L.G.2
-
46
-
-
0036678668
-
Density functional theory for inhomogeneous mixtures of polymeric fluids
-
Yu, Y. X.; Wu, J. Z. Density functional theory for inhomogeneous mixtures of polymeric fluids J. Chem. Phys. 2002, 117, 2368-2376
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 2368-2376
-
-
Yu, Y.X.1
Wu, J.Z.2
-
47
-
-
28844475581
-
Density functional approach for inhomogeneous star polymer fluids
-
Malijevsky, A.; Bryk, P.; Sokolowski, S. Density functional approach for inhomogeneous star polymer fluids Phys. Rev. E 2005, 72
-
(2005)
Phys. Rev. e
, pp. 72
-
-
Malijevsky, A.1
Bryk, P.2
Sokolowski, S.3
-
48
-
-
22944450020
-
Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures
-
Tripathi, S.; Chapman, W. G. Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures J. Chem. Phys. 2005, 122, 094506
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 094506
-
-
Tripathi, S.1
Chapman, W.G.2
-
49
-
-
18144396561
-
Microstructure and thermodynamics of inhomogeneous polymer blends and solutions
-
Tripathi, S.; Chapman, W. G. Microstructure and thermodynamics of inhomogeneous polymer blends and solutions Phys. Rev. Lett. 2005, 94, 087801
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 087801
-
-
Tripathi, S.1
Chapman, W.G.2
-
50
-
-
37549036260
-
Modified interfacial statistical associating fluid theory: A perturbation density functional theory for inhomogeneous complex fluids
-
Jain, S.; Dominik, A.; Chapman, W. G. Modified interfacial statistical associating fluid theory: A perturbation density functional theory for inhomogeneous complex fluids J. Chem. Phys. 2007, 127, 244904
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 244904
-
-
Jain, S.1
Dominik, A.2
Chapman, W.G.3
-
51
-
-
0037196791
-
A SAFT-DFT approach for the vapour-liquid interface of associating fluids
-
Gloor, G. J.; Blas, F. J.; del Rio, E. M.; de Miguel, E.; Jackson, G. A SAFT-DFT approach for the vapour-liquid interface of associating fluids Fluid Phase Equilib. 2002, 194, 521-530
-
(2002)
Fluid Phase Equilib.
, vol.194
, pp. 521-530
-
-
Gloor, G.J.1
Blas, F.J.2
Del Rio, E.M.3
De Miguel, E.4
Jackson, G.5
-
52
-
-
17644390080
-
Study on surface tension for non-polar and associating fluids based on density functional theory
-
Lu, J.-F.; Fu, D.; Liu, J.-C.; Li, Y.-G. Study on surface tension for non-polar and associating fluids based on density functional theory Mol. Simul. 2003, 29, 809-815
-
(2003)
Mol. Simul.
, vol.29
, pp. 809-815
-
-
Lu, J.-F.1
Fu, D.2
Liu, J.-C.3
Li, Y.-G.4
-
53
-
-
33749827472
-
Bulk and interfacial properties of polymers from interfacial SAFT density functional theory
-
Dominik, A.; Tripathi, S.; Chapman, W. G. Bulk and interfacial properties of polymers from interfacial SAFT density functional theory Ind. Eng. Chem. Res. 2006, 45, 6785-6792
-
(2006)
Ind. Eng. Chem. Res.
, vol.45
, pp. 6785-6792
-
-
Dominik, A.1
Tripathi, S.2
Chapman, W.G.3
-
54
-
-
36449006006
-
The role of attractive intermolecular forces in the density functional theory of inhomogeneous fluids
-
Sokolowski, S.; Fischer, J. The role of attractive intermolecular forces in the density functional theory of inhomogeneous fluids J. Chem. Phys. 1992, 96, 5441-5447
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 5441-5447
-
-
Sokolowski, S.1
Fischer, J.2
-
55
-
-
0034247856
-
Application of density functional perturbation theory to pure fluid liquid-vapor interfaces
-
Wadewitz, T.; Winkelmann, J. Application of density functional perturbation theory to pure fluid liquid-vapor interfaces J. Chem. Phys. 2000, 113, 2447
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 2447
-
-
Wadewitz, T.1
Winkelmann, J.2
-
56
-
-
0035423877
-
A method to incorporate the radial distribution function of bulk fluid into the density functional approximation
-
Zhou, S. A method to incorporate the radial distribution function of bulk fluid into the density functional approximation J. Chem. Phys. 2001, 115, 2212
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2212
-
-
Zhou, S.1
-
57
-
-
33645334288
-
Modeling inhomogeneous van der Waals fluids using an analytical direct correlation function
-
Tang, Y.; Wu, J. Modeling inhomogeneous van der Waals fluids using an analytical direct correlation function Phys. Rev. E 2004, 70, 011201
-
(2004)
Phys. Rev. e
, vol.70
, pp. 011201
-
-
Tang, Y.1
Wu, J.2
-
58
-
-
18744413950
-
Density-functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids
-
Li, Z.; Cao, D.; Wu, J. Density-functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids J. Chem. Phys. 2005, 122, 174708
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 174708
-
-
Li, Z.1
Cao, D.2
Wu, J.3
-
59
-
-
49549104442
-
Modified PT-LJ-SAFF density functional theory. I. Prediction of surface properties and phase equilibria of non-associating fluids
-
Kahl, H.; Winkelmann, J. Modified PT-LJ-SAFF density functional theory. I. Prediction of surface properties and phase equilibria of non-associating fluids Fluid Phase Equilib. 2008, 270, 50-61
-
(2008)
Fluid Phase Equilib.
, vol.270
, pp. 50-61
-
-
Kahl, H.1
Winkelmann, J.2
-
60
-
-
78650411516
-
Going beyond the mean field approximation in classical density functional theory and application to one attractive core-softened model fluid
-
Zhou, S. Going beyond the mean field approximation in classical density functional theory and application to one attractive core-softened model fluid J. Stat. Mech.: Theory Exper. 2010, 2010, P11039
-
(2010)
J. Stat. Mech.: Theory Exper.
, vol.2010
, pp. 11039
-
-
Zhou, S.1
-
61
-
-
84947416074
-
A density functional theory of melting
-
Tarazona, P. A density functional theory of melting Mol. Phys. 1984, 52, 81-96
-
(1984)
Mol. Phys.
, vol.52
, pp. 81-96
-
-
Tarazona, P.1
-
62
-
-
29444442050
-
Free-energy density functional for hard spheres
-
Tarazona, P. Free-energy density functional for hard spheres Phys. Rev. A 1985, 31, 2672
-
(1985)
Phys. Rev. A
, vol.31
, pp. 2672
-
-
Tarazona, P.1
-
63
-
-
33845212767
-
Erratum: Free-energy density functional for hard spheres [Phys. Rev. A 31, 2672 (1985)]
-
Tarazona, P. Erratum: Free-energy density functional for hard spheres [Phys. Rev. A 31, 2672 (1985)] Phys. Rev. A 1985, 32, 3148
-
(1985)
Phys. Rev. A
, vol.32
, pp. 3148
-
-
Tarazona, P.1
-
64
-
-
84863014552
-
Prediction of Interfacial Structure and Tension of Binary Mixtures Containing Carbon Dioxide
-
Hu, J.; Chen, J.; Mi, J. Prediction of Interfacial Structure and Tension of Binary Mixtures Containing Carbon Dioxide Ind. Eng. Chem. Res. 2012, 51, 1236-1243
-
(2012)
Ind. Eng. Chem. Res.
, vol.51
, pp. 1236-1243
-
-
Hu, J.1
Chen, J.2
Mi, J.3
-
65
-
-
84879110805
-
A hybrid perturbed-chain SAFT density functional theory for representing fluid behavior in nanopores
-
Shen, G.; Ji, X.; Lu, X. A hybrid perturbed-chain SAFT density functional theory for representing fluid behavior in nanopores J. Chem. Phys. 2013, 138
-
(2013)
J. Chem. Phys.
, pp. 138
-
-
Shen, G.1
Ji, X.2
Lu, X.3
-
66
-
-
84872699993
-
A classical density-functional theory for describing water interfaces
-
Hughes, J.; Krebs, E. J.; Roundy, D. A classical density-functional theory for describing water interfaces J. Chem. Phys. 2013, 138
-
(2013)
J. Chem. Phys.
, pp. 138
-
-
Hughes, J.1
Krebs, E.J.2
Roundy, D.3
-
67
-
-
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
-
Gloor, G. J.; Jackson, G.; Blas, F. J.; del Rio, E. M.; de Miguel, E. 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 J. Chem. Phys. 2004, 121, 12740-12759
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 12740-12759
-
-
Gloor, G.J.1
Jackson, G.2
Blas, F.J.3
Del Rio, E.M.4
De Miguel, E.5
-
68
-
-
36048941035
-
Prediction of the vapor-liquid interfacial tension of nonassociating and associating fluids with the SAFT-VR density functional theory
-
Gloor, G. J.; Jackson, G.; Blas, F. J.; del Rio, E. M.; de Miguel, E. Prediction of the vapor-liquid interfacial tension of nonassociating and associating fluids with the SAFT-VR density functional theory J. Phys. Chem. C 2007, 111, 15513-15522
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 15513-15522
-
-
Gloor, G.J.1
Jackson, G.2
Blas, F.J.3
Del Rio, E.M.4
De Miguel, E.5
-
69
-
-
77955734664
-
Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range
-
Llovell, F.; Galindo, A.; Blas, F. J.; Jackson, G. Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range J. Chem. Phys. 2010, 133
-
(2010)
J. Chem. Phys.
, pp. 133
-
-
Llovell, F.1
Galindo, A.2
Blas, F.J.3
Jackson, G.4
-
70
-
-
84867028258
-
Application of the SAFT-VR density functional theory to the prediction of the interfacial properties of mixtures of relevance to reservoir engineering
-
Llovell, F.; Mac Dowell, N.; Bias, F. J.; Galindo, A.; Jackson, G. Application of the SAFT-VR density functional theory to the prediction of the interfacial properties of mixtures of relevance to reservoir engineering Fluid Phase Equilib. 2012, 336, 137-150
-
(2012)
Fluid Phase Equilib.
, vol.336
, pp. 137-150
-
-
Llovell, F.1
Mac Dowell, N.2
Bias, F.J.3
Galindo, A.4
Jackson, G.5
-
71
-
-
71549124708
-
A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state
-
Gross, J. A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state J. Chem. Phys. 2009, 131, 204705
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 204705
-
-
Gross, J.1
-
72
-
-
10844241417
-
First-order mean spherical approximation for inhomogeneous fluids
-
Tang, Y. First-order mean spherical approximation for inhomogeneous fluids J. Chem. Phys. 2004, 121, 10605-10610
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 10605-10610
-
-
Tang, Y.1
-
73
-
-
0037336920
-
On the first-order mean spherical approximation
-
Tang, Y. On the first-order mean spherical approximation J. Chem. Phys. 2003, 118, 4140
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 4140
-
-
Tang, Y.1
-
74
-
-
36849102073
-
Derivation of an integral equation for pair correlation functions in molecular fluids
-
Chandler, D. Derivation of an integral equation for pair correlation functions in molecular fluids J. Chem. Phys. 1973, 59, 2742
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 2742
-
-
Chandler, D.1
-
75
-
-
0000320337
-
Equilibrium theory of polymer liquids: Linear chains
-
Curro, J. G.; Schweizer, K. S. Equilibrium theory of polymer liquids: Linear chains J. Chem. Phys. 1987, 87, 1842
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 1842
-
-
Curro, J.G.1
Schweizer, K.S.2
-
76
-
-
33748963058
-
Thermodynamic perturbation theory in fluid statistical mechanics
-
Zhou, S. Thermodynamic perturbation theory in fluid statistical mechanics Phys. Rev. E 2006, 74
-
(2006)
Phys. Rev. e
, pp. 74
-
-
Zhou, S.1
-
77
-
-
33645646005
-
Density functional theory for chemical engineering: From capillarity to soft materials
-
Wu, J. Z. Density functional theory for chemical engineering: From capillarity to soft materials AIChE J. 2006, 52, 1169-1193
-
(2006)
AIChE J.
, vol.52
, pp. 1169-1193
-
-
Wu, J.Z.1
-
78
-
-
33846978150
-
Density-functional theory for complex fluids
-
Wu, J. Z.; Li, Z. Density-functional theory for complex fluids Annu. Rev. Phys. Chem. 2007, 58, 85-112
-
(2007)
Annu. Rev. Phys. Chem.
, vol.58
, pp. 85-112
-
-
Wu, J.Z.1
Li, Z.2
-
79
-
-
0037175696
-
Density functional theory of inhomogeneous classical fluids: Recent developments and new perspectives
-
Löwen, H. Density functional theory of inhomogeneous classical fluids: recent developments and new perspectives J. Phys.: Condens. Matter 2002, 14, 11897-11905
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 11897-11905
-
-
Löwen, H.1
-
80
-
-
79957636338
-
Recent advances in classical density functional theory for associating and polyatomic molecules
-
Emborsky, C. P.; Feng, Z.; Cox, K. R.; Chapman, W. G. Recent advances in classical density functional theory for associating and polyatomic molecules Fluid Phase Equilib. 2011, 306, 15-30
-
(2011)
Fluid Phase Equilib.
, vol.306
, pp. 15-30
-
-
Emborsky, C.P.1
Feng, Z.2
Cox, K.R.3
Chapman, W.G.4
-
81
-
-
78649776231
-
Density functional theory for calculating surface tensions with a simple renormalization formalism for the critical point
-
Tang, X.; Gross, J. Density functional theory for calculating surface tensions with a simple renormalization formalism for the critical point J. Supercrit. Fluids 2010, 55, 735-742
-
(2010)
J. Supercrit. Fluids
, vol.55
, pp. 735-742
-
-
Tang, X.1
Gross, J.2
-
82
-
-
26144461489
-
Renormalization group and critical phenomena. II. Phase-space cell analysis of critical behavior
-
Wilson, K. G. Renormalization group and critical phenomena. II. Phase-space cell analysis of critical behavior Phys. Rev. B 1971, 4, 3184-3205
-
(1971)
Phys. Rev. B
, vol.4
, pp. 3184-3205
-
-
Wilson, K.G.1
-
84
-
-
34250318301
-
Perturbation theory and equation of state for fluids. II. A successful theory of liquids
-
Barker, J. A.; Henderson, D. Perturbation theory and equation of state for fluids. II. A successful theory of liquids J. Chem. Phys. 1967, 47, 4714-4721
-
(1967)
J. Chem. Phys.
, vol.47
, pp. 4714-4721
-
-
Barker, J.A.1
Henderson, D.2
-
85
-
-
84871870120
-
Using fundamental measure theory to treat the correlation function of the inhomogeneous hard-sphere fluid
-
Schulte, J. B.; Kreitzberg, P. A.; Haglund, C. V.; Roundy, D. Using fundamental measure theory to treat the correlation function of the inhomogeneous hard-sphere fluid Phys. Rev. E 2012, 86
-
(2012)
Phys. Rev. e
, pp. 86
-
-
Schulte, J.B.1
Kreitzberg, P.A.2
Haglund, C.V.3
Roundy, D.4
-
86
-
-
0000442601
-
Direct calculations of radial distribution function for hard-sphere chains
-
Tang, Y.; Lu, B. C.-Y. Direct calculations of radial distribution function for hard-sphere chains J. Chem. Phys. 1996, 105, 8262
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 8262
-
-
Tang, Y.1
Lu, B.C.-Y.2
-
87
-
-
26644462846
-
Percus-Yevick integral equation theory for athermal hard-sphere chains. II. Average intermolecular correlation functions
-
Chiew, Y. C. Percus-Yevick integral equation theory for athermal hard-sphere chains. II. Average intermolecular correlation functions Mol. Phys. 1991, 73, 359
-
(1991)
Mol. Phys.
, vol.73
, pp. 359
-
-
Chiew, Y.C.1
-
88
-
-
0001470701
-
Liquid interfaces - Role of the fluctuations and analysis of ellipsometry and reflectivity measurements
-
Meunier, J. Liquid interfaces - Role of the fluctuations and analysis of ellipsometry and reflectivity measurements J. Phys. (Paris) 1987, 48, 1819-1831
-
(1987)
J. Phys. (Paris)
, vol.48
, pp. 1819-1831
-
-
Meunier, J.1
-
89
-
-
3643075687
-
Structure and free energy of the interface between fluid phases in equilibrium near the critical point
-
Fisk, S.; Widom, B. Structure and free energy of the interface between fluid phases in equilibrium near the critical point J. Chem. Phys. 1969, 50, 3219-3227
-
(1969)
J. Chem. Phys.
, vol.50
, pp. 3219-3227
-
-
Fisk, S.1
Widom, B.2
-
90
-
-
0019058863
-
The calculation of critical points
-
Heidemann, R. A.; Khalil, A. M. The calculation of critical points AlChE J. 1988, 26, 769-779
-
(1988)
AlChE J.
, vol.26
, pp. 769-779
-
-
Heidemann, R.A.1
Khalil, A.M.2
-
91
-
-
37049114107
-
Surface tensions of simple liquid mixtures
-
Sprow, F. B.; Prausnitz, J. M. Surface tensions of simple liquid mixtures Trans. Faraday Soc. 1966, 62, 1105-1111
-
(1966)
Trans. Faraday Soc.
, vol.62
, pp. 1105-1111
-
-
Sprow, F.B.1
Prausnitz, J.M.2
-
93
-
-
0003725072
-
-
Design Institute for Physical Properties, AIChE: New York, NY
-
Rowley, R. L.; Wilding, W. V.; Oscarson, J. L.; Yang, Y.; Zundel, N. A.; Daubert, T. E.; Danner, R. P. DIPPR Data Compilation of Pure Chemical Properties; Design Institute for Physical Properties, AIChE: New York, NY, 2009
-
(2009)
DIPPR Data Compilation of Pure Chemical Properties
-
-
Rowley, R.L.1
Wilding, W.V.2
Oscarson, J.L.3
Yang, Y.4
Zundel, N.A.5
Daubert, T.E.6
Danner, R.P.7
-
94
-
-
0019055408
-
Semiempirical theory of surface tension of binary systems
-
Carey, B. S.; Scriven, L. E.; Davis, H. T. Semiempirical theory of surface tension of binary systems AIChE J. 1980, 26, 705-711
-
(1980)
AIChE J.
, vol.26
, pp. 705-711
-
-
Carey, B.S.1
Scriven, L.E.2
Davis, H.T.3
-
95
-
-
84946638796
-
Theory of the liquid-vapour interface of a binary mixture of Lennard-Jones fluids
-
Telo da Gama, M.; Evans, R. Theory of the liquid-vapour interface of a binary mixture of Lennard-Jones fluids Mol. Phys. 1980, 41, 1091-1112
-
(1980)
Mol. Phys.
, vol.41
, pp. 1091-1112
-
-
Telo Da Gama, M.1
Evans, R.2
-
96
-
-
33748144275
-
Integral relations for the heat and mass transfer resistivities of the liquid-vapor interface
-
Johannessen, E.; Bedeaux, D. Integral relations for the heat and mass transfer resistivities of the liquid-vapor interface Phys. A 2006, 370, 258-274
-
(2006)
Phys. A
, vol.370
, pp. 258-274
-
-
Johannessen, E.1
Bedeaux, D.2
-
97
-
-
77958113043
-
Transport of heat and mass in a two-phase mixture: From a continuous to a discontinuous description
-
Glavatskiy, K.; Bedeaux, D. Transport of heat and mass in a two-phase mixture: From a continuous to a discontinuous description J. Chem. Phys. 2010, 133, 144709
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 144709
-
-
Glavatskiy, K.1
Bedeaux, D.2
-
98
-
-
56349103622
-
Nonequilibrium thermodynamics of interfaces using classical density functional theory
-
Johannessen, E.; Gross, J.; Bedeaux, D. Nonequilibrium thermodynamics of interfaces using classical density functional theory J. Chem. Phys. 2008, 129, 184703
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 184703
-
-
Johannessen, E.1
Gross, J.2
Bedeaux, D.3
-
99
-
-
0035963039
-
The liquid-vapour interface of pure fluids and mixtures - Application of computer simulation and density functional theory
-
Winkelmann, J. The liquid-vapour interface of pure fluids and mixtures - Application of computer simulation and density functional theory J. Phys.: Condens. Matter 2001, 13, 4739-4768
-
(2001)
J. Phys.: Condens. Matter
, vol.13
, pp. 4739-4768
-
-
Winkelmann, J.1
-
100
-
-
0023994430
-
Vapor-liquid equilibria of tetrahydrofuran systems
-
Wu, H. S.; Sandler, S. I. Vapor-liquid equilibria of tetrahydrofuran systems J. Chem. Eng. Data 1988, 33, 157-162
-
(1988)
J. Chem. Eng. Data
, vol.33
, pp. 157-162
-
-
Wu, H.S.1
Sandler, S.I.2
-
101
-
-
9344244693
-
Surface tensions and refractive indices of (tetrahydrofuran + n -alkanes) at T = 298.15 K
-
Piñeiro, á.; Brocos, P.; Amigo, A.; Pintos, M.; Bravo, R. Surface tensions and refractive indices of (tetrahydrofuran + n -alkanes) at T = 298.15 K J. Chem. Thermodyn. 1999, 31, 931-942
-
(1999)
J. Chem. Thermodyn.
, vol.31
, pp. 931-942
-
-
Piñeiro, A.1
Brocos, P.2
Amigo, A.3
Pintos, M.4
Bravo, R.5
-
102
-
-
0022705499
-
Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 2. Carbon dioxide + n -decane
-
Nagarajan, N.; Robinson, R. L. Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 2. Carbon dioxide + n -decane J. Chem. Eng. Data 1986, 31, 168-171
-
(1986)
J. Chem. Eng. Data
, vol.31
, pp. 168-171
-
-
Nagarajan, N.1
Robinson, R.L.2
|