-
1
-
-
84907891355
-
Direct determination of phase coexistence properties of fluids by Monte-Carlo simulation in a new ensemble
-
A.Z. Panagiotopoulos. Direct determination of phase coexistence properties of fluids by Monte-Carlo simulation in a new ensemble. Mol. Phys., 61, 813 (1987).
-
(1987)
Mol. Phys
, vol.61
, pp. 813
-
-
Panagiotopoulos, A.Z.1
-
3
-
-
33746869629
-
Critical point estimation of the Lennard-Jones pure fluid and binary mixtures
-
J. Pérez-Pellitero, P. Ungerer, G. Orkoulas, A.D. Mackie. Critical point estimation of the Lennard-Jones pure fluid and binary mixtures. J. Chem. Phys., 125, 054515 (2006).
-
(2006)
J. Chem. Phys
, vol.125
, pp. 054515
-
-
Pérez-Pellitero, J.1
Ungerer, P.2
Orkoulas, G.3
Mackie, A.D.4
-
4
-
-
33745633337
-
Sodium, on the surface of activated carbons as a factor enhancing reactive adsorption of dibenzothiophene
-
C.O. Ania, T.J. Bandosz. Sodium, on the surface of activated carbons as a factor enhancing reactive adsorption of dibenzothiophene. Energy Fuels, 20, 1076 (2006).
-
(2006)
Energy Fuels
, vol.20
, pp. 1076
-
-
Ania, C.O.1
Bandosz, T.J.2
-
5
-
-
0000127350
-
Optimization of the anisotropic united atoms intermolecular potential for n-alkanes
-
P. Ungerer, C. Beauvais, J. Delhommelle, A. Boutin, B. Rousseau, A.H. Fuchs. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes. J. Chem. Phys., 112, 5499 (2000).
-
(2000)
J. Chem. Phys
, vol.112
, pp. 5499
-
-
Ungerer, P.1
Beauvais, C.2
Delhommelle, J.3
Boutin, A.4
Rousseau, B.5
Fuchs, A.H.6
-
6
-
-
0000432930
-
Equation of state of alkanes. 2
-
5197 Bias
-
S. Toxvaerd. Equation of state of alkanes. 2. J. Chem. Phys., 107, 5197 Bias (1997).
-
(1997)
J. Chem. Phys
, vol.107
-
-
Toxvaerd, S.1
-
7
-
-
36549097979
-
Molecular-dynamics calculation of the equation of state of alkanes
-
S. Toxvaerd. Molecular-dynamics calculation of the equation of state of alkanes. J. Chem. Phys., 107, 4290 (1990).
-
(1990)
J. Chem. Phys
, vol.107
, pp. 4290
-
-
Toxvaerd, S.1
-
8
-
-
0001061046
-
Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes
-
M.G. Martin, J.I. Siepmann. Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes. J. Phys. Chem. B, 102, 2569 (1998).
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 2569
-
-
Martin, M.G.1
Siepmann, J.I.2
-
9
-
-
0011805611
-
Density-fluctuations and field mixing in the critical fluid
-
N.B. Wilding, A.D. Bruce. Density-fluctuations and field mixing in the critical fluid. J. Phys. Condensed Matter, 4, 3087 (1992).
-
(1992)
J. Phys. Condensed Matter
, vol.4
, pp. 3087
-
-
Wilding, N.B.1
Bruce, A.D.2
-
10
-
-
0000366719
-
Critical-point and coexistence-curve properties of the Lennard-Jones fluid - a finite-size-scaling study
-
N.B. Wilding. Critical-point and coexistence-curve properties of the Lennard-Jones fluid - a finite-size-scaling study. Phys. Rev. E, 52, 602 (1995).
-
(1995)
Phys. Rev. E
, vol.52
, pp. 602
-
-
Wilding, N.B.1
-
11
-
-
34548330814
-
-
Data for the universal operator distribution Private communication N. Wilding.
-
Data for the "universal operator distribution" Private communication N. Wilding.
-
-
-
-
12
-
-
4243777415
-
Finite size scaling analysis of Ising-model block distribution-functions
-
K. Binder. Finite size scaling analysis of Ising-model block distribution-functions. Z. Phys. B Condensed Matter, 43, 119 (1981).
-
(1981)
Z. Phys. B Condensed Matter
, vol.43
, pp. 119
-
-
Binder, K.1
-
13
-
-
0037030028
-
Universality class of criticality in the restricted primitive model electrolyte
-
E. Luijten, M.E. Fisher, A.Z. Panagiotopoulos. Universality class of criticality in the restricted primitive model electrolyte. Phys. Rev. Lett., 88, 185701. (2002).
-
(2002)
Phys. Rev. Lett
, vol.88
, pp. 185701
-
-
Luijten, E.1
Fisher, M.E.2
Panagiotopoulos, A.Z.3
-
14
-
-
0000897048
-
Critical-behavior of the 3-dimensional Ising-model - a high-resolution Monte-Carlo study
-
A.M. Ferrenberg, D.P. Landau. Critical-behavior of the 3-dimensional Ising-model - a high-resolution Monte-Carlo study. Phys. Rev. B, 44, 5081 (1991).
-
(1991)
Phys. Rev. B
, vol.44
, pp. 5081
-
-
Ferrenberg, A.M.1
Landau, D.P.2
-
15
-
-
0002304734
-
Unbiased estimation of corrections to scaling by partial-differential approximants
-
J.H. Chen, M.E. Fisher, B.G. Nickel. Unbiased estimation of corrections to scaling by partial-differential approximants. Phys. Rev. Lett., 48, 630 (1982).
-
(1982)
Phys. Rev. Lett
, vol.48
, pp. 630
-
-
Chen, J.H.1
Fisher, M.E.2
Nickel, B.G.3
-
16
-
-
0000943447
-
Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture
-
J.J. Potoff, A.Z. Panagiotopoulos. Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture. J. Chem. Phys., 109, 10914 (1998).
-
(1998)
J. Chem. Phys
, vol.109
, pp. 10914
-
-
Potoff, J.J.1
Panagiotopoulos, A.Z.2
-
17
-
-
4644255786
-
Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. 2. Alkylbenzenes and styrene
-
R.O. Contreras-Camacho, P. Ungerer, M.G. Ahunbay, V. Lachet, J. Pérez-Pellitero, A.D. Mackie. Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. 2. Alkylbenzenes and styrene. J. Phys. Chem. B, 108, 14115 (2004).
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 14115
-
-
Contreras-Camacho, R.O.1
Ungerer, P.2
Ahunbay, M.G.3
Lachet, V.4
Pérez-Pellitero, J.5
Mackie, A.D.6
-
18
-
-
14544296554
-
Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. III. Polyaromatic and naphthenoaromatic hydrocarbons
-
M.G. Ahunbay, J. Pérez-Pellitero, R.O. Contreras-Camacho, J.M. Teuler, P. Ungerer, A.D. Mackie, V. Lachet. Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. III. Polyaromatic and naphthenoaromatic hydrocarbons. J. Phys. Chem. B, 109, 2970 (2005).
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 2970
-
-
Ahunbay, M.G.1
Pérez-Pellitero, J.2
Contreras-Camacho, R.O.3
Teuler, J.M.4
Ungerer, P.5
Mackie, A.D.6
Lachet, V.7
-
21
-
-
34548302931
-
-
BYU DIPPR 801, Thermophysical Properties Database Public Release January 2005.
-
BYU DIPPR 801, Thermophysical Properties Database Public Release January 2005.
-
-
-
-
22
-
-
4243819810
-
New Monte-Carlo technique for studying phase-transitions
-
A.M. Ferrenberg, R. Swendsen. New Monte-Carlo technique for studying phase-transitions. Phys. Rev. Lett., 61, 2635 (1988).
-
(1988)
Phys. Rev. Lett
, vol.61
, pp. 2635
-
-
Ferrenberg, A.M.1
Swendsen, R.2
-
24
-
-
0037198276
-
Prediction of equilibrium properties of cyclic alkanes by Monte Carlo simulation - new anisotropic united atoms intermolecular potential - New transfer bias method
-
E. Bourasseau, P. Ungerer, A. Boutin. Prediction of equilibrium properties of cyclic alkanes by Monte Carlo simulation - new anisotropic united atoms intermolecular potential - New transfer bias method. J. Phys. Chem. B, 106, 5483 (2002).
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 5483
-
-
Bourasseau, E.1
Ungerer, P.2
Boutin, A.3
-
25
-
-
0011369270
-
Vapour-liquid phase equilibria predictions of methane-alkane mixtures by Monte Carlo simulation
-
A.D. Mackie, B. Tavitian, A. Boutin, A.H. Fuchs. Vapour-liquid phase equilibria predictions of methane-alkane mixtures by Monte Carlo simulation. Mol. Simul, 19, 1 (1997).
-
(1997)
Mol. Simul
, vol.19
, pp. 1
-
-
Mackie, A.D.1
Tavitian, B.2
Boutin, A.3
Fuchs, A.H.4
-
26
-
-
30544440279
-
Transferable potentials for phase equilibria. 8. United-atom. description for thiols, sulfides, disulfides, and thiophene
-
N. Lubna, G. Kamath, J.J. Potoff, N. Rai, J.I. Siepmann. Transferable potentials for phase equilibria. 8. United-atom. description for thiols, sulfides, disulfides, and thiophene. J. Phys. Chem. B, 109, 24100 (2005).
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 24100
-
-
Lubna, N.1
Kamath, G.2
Potoff, J.J.3
Rai, N.4
Siepmann, J.I.5
-
27
-
-
0035884760
-
Histogram, reweighting and finite-size scaling study of the Lennard-Jones fluids
-
W. Shi, J. Johnson. Histogram, reweighting and finite-size scaling study of the Lennard-Jones fluids. Fluid Phase Equilib., 187, 171 (2001).
-
(2001)
Fluid Phase Equilib
, vol.187
, pp. 171
-
-
Shi, W.1
Johnson, J.2
-
29
-
-
0037134595
-
Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary, and tertiary alcohols
-
B. Chen, J.J. Potoff, J. Siepmann. Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary, and tertiary alcohols. J. Phys. Chem. B, 105, 3093 (2001).
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 3093
-
-
Chen, B.1
Potoff, J.J.2
Siepmann, J.3
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