Fluid Phase Equilibria, 2005, V 236, N 1-2, 20 September.

Fluid Properties Simulation Challenge Special Issue Section
Edited by Peter T. Cummings

Full-title page  • 
Page ii 

SPECIAL ISSUE SECTION 
The second industrial fluid properties
simulation challenge  • 
Fiona Case, Anne Chaka, Daniel G. Friend, 
David Frurip, Joseph Golab, Peter Gordon, 
Russell Johnson, Petr Kolar, Jonathan Moore, 
Raymond D. Mountain et al.
Pages 1-14 

Establishing benchmarks for the Second 
Industrial Fluids Simulation Challenge  • 
Daniel G. Friend, David J. Frurip, 
Eric W. Lemmon, Richard E. Morrison, 
James D. Olson and Loren C. Wilson
Pages 15-24 

Extension of the anisotropic united atoms 
intermolecular potential to amines, amides
and alkanols: Application to the problems
of the 2004 Fluid Simulation Challenge  • 
Y. Boutard, Ph. Ungerer, J.M. Teuler, 
M.G. Ahunbay, S.F. Sabater, J. Perez-Pellitero,
A.D. Mackie and E. Bourasseau
Pages 25-41 

Transferable step potentials for amines, 
amides, acetates, and ketones  • 
F. Suhan Baskaya, Neil H. Gray, Z. Nevin Gerek
and J. Richard Elliott
Pages 42-52 

Monte Carlo molecular simulation predictions 
for the heat of vaporization of acetone 
and butyramide  • 
Marcus G. Martin and Mary J. Biddy
Pages 53-57 

Determination of Henry's law constants through
transition matrix Monte Carlo simulation  • 
Eric C. Cichowski, Todd R. Schmidt and
Jeffrey R. Errington
Pages 58-65 

Prediction of Henry's law constants of small gas
molecules in liquid ethylene oxide and ethanol
using force field methods  • 
Chuanjie Wu, Xiaofeng Li, Jianxing Dai and Huai Sun
Pages 66-77 

Prediction of the heat of mixing for binary fluids
using molecular dynamics simulation  • 
Jianxing Dai, Chuanjie Wu, Xiaoguang Bao and Huai Sun
Pages 78-85 

Study of thermodynamic properties of binary solutions
of lithium bromide or lithium chloride with methanol  • 
J.T. Safarov
Pages 87-95 

On the measurement of individual ion activities  • 
Grazyna Wilczek-Vera and Juan H. Vera
Pages 96-110 

Modeling diffusion coefficients in binary mixtures
of polar and non-polar compounds  • 
Oleg O. Medvedev and Alexander A. Shapiro
Pages 111-124 

Oligomer distribution in concentrated lactic acid solutions  • 
Dung T. Vu, Aspi K. Kolah, Navinchandra S. Asthana, 
Lars Peereboom, Carl T. Lira and Dennis J. Miller
Pages 125-135 

Representing dyestuff solubility in supercritical carbon
dioxide with several density-based correlations  • 
Zhen Huang, Yu-Hua Guo, Ge-Biao Sun, Yee C. Chiew
and Sibudjing Kawi
Pages 136-145 

Excess molar enthalpies for binary carbon dioxide + diethyl
carbonate system at 298.15–308.15 K and 5.0–6.5 MPa  • 
Hiroyuki Matsuda, Shigetaka Yoshii, Akinori Nagashima, 
Kiyofumi Kurihara and Kenji Ochi
Pages 146-155 

Prediction of liquid–vapour surface tension
in multi-component systems  • 
Alireza Bahramian and Ali Danesh
Pages 156-161 

Solubilities and vapour pressures of water over saturated
solutions of magnesium-L-lactate, calcium-L-lactate, 
zinc-L-lactate, ferrous-L-lactate and aluminum-L-lactate  • 
Alexander Apelblat, Emanuel Manzurola, 
Jan van Krieken and Gert L. Nanninga
Pages 162-168 

Effects of potential models in the vapor–liquid equilibria
and adsorption of simple gases on graphitized thermal carbon black  • 
D.D. Do and H.D. Do
Pages 169-177 

High pressure vapor–liquid equilibria for the systems
thiophene + nonane + CO2, and thiophene + decane + CO2  • 
Octavio Elizalde-Solis and Luis A. Galicia-Luna
Pages 178-183 

Surface tension, (solid + liquid) equilibria and 
(liquid + liquid) equilibria for (iPBu-1 + hydrocarbon,
or alcohol) systems  • 
Marta Karolina Kozlowska, Urszula Domanska, 
Danuta Dudek and Marek Rogalski
Pages 184-192 

Compressed liquid densities and excess volumes of CO2
+ thiophene binary mixtures from 313 to 363 K and
pressures up to 25 MPa  • 
Abel Zuniga-Moreno, Luis A. Galicia-Luna
and Felix F. Betancourt-C?rdenas
Pages 193-204 

Water activity and activity coefficients of the mixed
electrolytes yNH4Cl + (1 - y)NH4NO3 (aq) at 298.15 K  • 
Mohamed El Guendouzi and Abdelkbir Errougui
Pages 205-211 

Derivation of structure factor S(Q), and direct correlation
function C(Q), of liquid alkali metals and simple
fluids using the LIR  • 
Nahid Farzi and Reza Safari
Pages 212-221 

Thermodynamic properties of mixtures containing ionic
liquids: Vapor pressures and activity coefficients of 
n-alcohols and benzene in binary mixtures with 
1-methyl-3-butyl-imidazolium bis(trifluoromethyl-sulfonyl) imide  • 
Sergey P. Verevkin, Javid Safarov, Eckard Bich, 
Egon Hassel and Andreas Heintz
Pages 222-228 

Influence of the molecular structure on the 
viscosity of some alkoxyethanols  • 
P. Reghem, A. Baylaucq, M.J.P. Comunas, 
J. Fernandez and C. Boned
Pages 229-236 


An analytical equation of state for 
some liquid refrigerants  • 
Maftoon-Azad Leila, Mitra Javanmardi
and Ali Boushehri
Pages 237-240 

Modeling electrolyte solutions with the SAFT-VR
equation using Yukawa potentials and the
mean-spherical approximation  • 
B. Behzadi, B.H. Patel, A. Galindo and C. Ghotbi
Pages 241-255 

Behavior of the empirical methods for prediction
of vaporization enthalpy  • 
Ricardo A. Malagoni, Ricardo M. Andrade,
Edio J. Alves and Moilton R. Franco, Jr.
Pages 256-260 

Comments on “Computing all the azeotropes in 
refrigerant mixtures through equations of state” 
by Naveed Aslam and Aydin K. Sunol 
[Fluid Phase Equilib. 224 (2004), 97–109]  • 
Hugo Segura, Rafael A. Gonz?lez and Jaime Wisniak
Pages 261-266 

Correction to the : Fluid Phase Equilibria 131 
(1997) 21–35, entitled “Solubility parameter 
revisited: an equation-of-state approach for 
its estimation”  • 
Costas Panayiotou
Page 267 

Letter to the Editor about “Thermodynamics of 
gas solubility: Relation between equation-of-state
and activity-coefficient models” by Bender et al.
[Fluid Phase Equilib. 15 (1984) 241–255]  • 
K.A.G. Schmidt
Pages 268-269 


Corrigendum to: “Bubble temperature measurements
on the binary mixtures formed by decane with a 
variety of compounds at 95.8 kPa” by T.E. Vittal 
Prasad, A.N. Raju, N. Sriram, D.H.L. Prasad 
[Fluid Phase Equilib. 227 (2005) 37–39]  • 
D.H.L. Prasad and Properties Group
Pages 270-271 

Erratum to “Henry's law constants of methane, 
nitrogen, oxygen and carbon dioxide in ethanol 
from 273 to 498 K: Prediction from molecular 
simulation” [Fluid Phase Equilib. 233 (2005) 134–143]  • 
Thorsten Schnabel, Jadran Vrabec and Hans Hasse
Page 272 

GUIDE FOR AUTHORS  • PUBLISHER'S NOTE
Pages 273-277 

Author Index  • 
Page 278 


Subject Index  • 
Page 279 


Contents Contd.  • CONTENTS LIST
Page 280