Fluid Phase Equilibria, 2005, V 228-229, Feb.

1.   
 Publishers Note  • 
Page 1 

2.   
 Preface  • EDITORIAL
Carol K. Hall
Page 3 

3.   
 Vapor–liquid equilibrium in systems 
(water + organic solvent + salt) at low 
water concentrations but high ratios of 
salt to water: experimental results
and modeling  • 
Gunter Uhrig, Xiaoyan Ji and Gerd Maurer
Pages 5-14 

4.   
 Molecular simulation of structure, thermodynamic
 and transport properties of polymeric membrane
 materials for hydrocarbon separation  • 
 Ioannis G. Economou, Vasilios E. Raptis, 
 Vasilios S. Melissas, Doros N. Theodorou, 
 John Petrou and John H. Petropoulos
 Pages 15-20 

5.   
 Asphaltene phase behavior: prediction at
 a crossroads  • ERRATUM
 Yadollah Maham, Martin G. Chodakowski,
 Xiaohui Zhang and John M. Shaw
 Pages 21-26 

6.   
 Phase equilibria of ethanol fuel blends  • 
 Raymond French and Patrick Malone
 Pages 27-40 

7.   
 Free energy methods in molecular simulation  • 
 David A. Kofke
 Pages 41-48 

8.   
 Applied thermodynamics in chemical technology:
 current practice and future challenges  • 
 Paul M. Mathias
 Pages 49-57 

9.   
 Prediction of gas solubility in battery formulations  • 
 P. Kolar, H. Nakata, J.-W. Shen, A. Tsuboi, 
 H. Suzuki and M. Ue
Pages 59-66 

10.   
 A changing hydrate paradigm—from apprehension
 to avoidance to risk management  • 
 E. Dendy Sloan
 Pages 67-74 

11.   
 Solid–fluid equilibrium for organic molecules: 
 understanding the link between molecular 
 structure and phase diagrams  • 
 M. Cao, A.P. Malanoski, J.W. Schroer and P.A. Monson
 Pages 75-82 

12.   
 Solid–liquid equilibria in l-leucine + l-valine + water  • 
 Izumi Kurosawa, Amyn S. Teja and Ronald W. Rousseau
 Pages 83-87 

13.   
 Thermodynamic modeling of complex systems using PC-SAFT  • 
 Feelly Tumakaka, Joachim Gross and Gabriele Sadowski
 Pages 89-98 

14.   
 Evolution of crystal size distributions in a 
CMSMPR—the effect of temperature, flow rate, 
and mixing speed with time  • 
Byung S. Choi and Terry A. Ring
Pages 99-107 

15.   
 Experiment and simulation studies on the 
mesostructures of gemini (12-3-12,2Br?)–SDS–H2O ternary  • 
Bing-qiang Wang, Ya-zhuo Shang, Hong-lai Liu and Ying Hu
Pages 109-119 


16.   
 Recent applications of the cubic-plus-association
 CPA) equation of state to industrially important systems  • 
 Georgios K. Folas, Samer O. Derawi, Michael L. Michelsen,
 Erling H. Stenby and Georgios M. Kontogeorgis
 Pages 121-126 

17.   
 Predictive property models for use in design of 
 controlled release of pesticides  • 
 Nuria Muro-Sune, Rafiqul Gani, Gordon Bell and Ian Shirley
 Pages 127-133 

18.   
 Structural effects of small molecules on phospholipid
 bilayers investigated by molecular simulations  • ERRATUM
 Bryan W. Lee, Roland Faller, Amadeu K. Sum, Ilpo Vattulainen,
 Michael Patra and Mikko Karttunen
 Pages 135-140 

19.   
 Group contribution based process flowsheet synthesis, 
 design and modelling  • 
 Loic d’Anterroches and Rafiqul Gani
 Pages 141-146 

20.   
 Molecular modeling of isomer effects in naphthenic
 and aromatic hydrocarbons  • 
 Neil H. Gray, Z. Nevin Gerek and J. Richard Elliott
 Pages 147-153 

21.   
 Thermodynamic properties of the butenes: 
 Part I. Experimental densities, vapor pressures, 
 and critical points  • 
 E. Christian Ihmels, Kai Fischer and Jurgen Gmehling
 Pages 155-171 

22.   
 Thermodynamic properties of the butenes: 
Part II. Short fundamental equations of state  • 
Eric W. Lemmon and E. Christian Ihmels
Pages 173-187 

23.   
 Adsorption and phase transitions on nanoporous
 carbonaceous materials: insights from molecular simulations  • 
 Jianwen Jiang and Stanley I. Sandler
 Pages 189-195 

24.   
 Molecular recognition and adsorption equilibria
in starburst dendrimers: gas structure and 
sensing via molecular theory  • 
David Scott Wilson and Lloyd L. Lee
Pages 197-205 

25.   
 Solubility of CO in the ionic liquid [bmim][PF6]  • 
 Jacek Kumelan, Alvaro Perez-Salado Kamps, 
 Dirk Tuma and Gerd Maurer
 Pages 207-211 

26.   
 Advanced equation of state method for modeling
 TEG–water for glycol gas dehydration  • 
 Chorng H. Twu, Vince Tassone, Wayne D. Sim 
 and Suphat Watanasiri
Pages 213-221 

27.   
 Calculation of critical points using a reduction method  • 
 Dan Vladimir Nichita
 Pages 223-231 

28.   
 Novel optical flow cell for measurements of 
 fluid phase behaviour  • 
 N. Riesco and J.P.M. Trusler
 Pages 233-238 

29.   
 Spinodal curves and critical points in mixtures
 containing polydisperse polymers with many components  • 
 Robert A. Heidemann, Ryan A. Krenz and Torben Laursen
 Pages 239-245 

30.   
 Experimental measurement and modeling of the 
distribution of solvent and ions between an 
aqueous phase and an ion exchange resin  • 
Soren Gregers Christensen and Kaj Thomsen
Pages 247-260 

31.   
 High pressure solid–fluid and vapour–liquid
 equilibria in model hyperbaric fluids: 
 the system methane + tetracosane + triacontane  • 
 J.J.B. Machado and Th.W. de Loos
 Pages 261-268 

32.   
 Diffusivity of water through a HEMA-based
 soft contact lens  • 
 Francesco Fornasiero, Florian Krull, 
 Clayton J. Radke and John M. Prausnitz
Pages 269-273 

33.   
 Application of SAFT–VRX to binary phase behaviour: alkanes  • 
 Lixin Sun, Honggang Zhao, Sergei B. Kiselev and Clare McCabe
Pages 275-282 

34.   
 Comparison of ternary diffusion coefficients 
 obtained from dynamic light scattering 
 and Taylor dispersion  • 
 D.A. Ivanov, Th. Grossmann and J. Winkelmann
 Pages 283-291 

35.   
 Prediction of internal structure and properties
 in fluid model interfaces of binary and ternary
 liquid mixtures  • 
 H. Kahl, M. Mecke and J. Winkelmann
 Pages 293-302 

36.   
 Liquid phase behavior of imidazolium-based
 ionic liquids with alcohols: effect of
 hydrogen bonding and non-polar interactions  • 
 Jacob M. Crosthwaite, Sudhir N.V. K. Aki, 
 Edward J. Maginn and Joan F. Brennecke
Pages 303-309 

37.   
 Prediction of thermodynamic properties of 
 heavy hydrocarbons by Monte Carlo simulation  • 
 M. Goktug Ahunbay, Spyridon Kranias, 
 Veronique Lachet and Philippe Ungerer
 Pages 311-319 

38.   
 A free-volume term based on the van der Waals
 partition function for the UNIFAC model  • 
 D.C. Kannan, J.L. Duda and R.P. Danner
 Pages 321-328 

39.   
 Self-diffusion coefficients of 
1-butyl-3-methylimidazolium hexafluorophosphate
with pulsed-field gradient spin-echo NMR technique  • 
Tatsuya Umecky, Mitsuhiro Kanakubo and Yutaka Ikushima
Pages 329-333 

40.   
 Vapor–liquid equilibria for CO2–fermentation alcohol
 mixtures: Application of a new group contribution 
equation of state to isomeric compounds  • 
Hiroshi Inomata, Akihiro Kondo and Hideki Kakehashi
Pages 335-343 

41.   
 Analysis of Henry’s constant for carbon dioxide
 in water via Monte Carlo simulation  • 
 Martin Lisal, William R. Smith and Karel Aim
 Pages 345-356 

42.   
 Concentration-dependent diffusion coefficients
 from a single experiment using model-based
 Raman spectroscopy  • 
 Andre Bardow, Volker Goke, Hans-Jurgen Ko?, 
 Klaus Lucas and Wolfgang Marquardt
 Pages 357-366 

43.   
 Phase behavior studies of a perfluoropolyether
 in high-pressure carbon dioxide  • 
 Teresa Casimiro, Alireza Shariati, Cor J. Peters, 
 Manuel Nunes da Ponte and Ana Aguiar-Ricardo
 Pages 367-371 

44.   
 Second and third virial coefficients for 
the R41+N2O system  • ERRATUM
G. Di Nicola, G. Giuliani, F. Polonara and R. Stryjek
Pages 373-379 

45.   
 Application of a modified RESS process for 
polypropylene microp production  • 
J. Vladimir Oliveira, Jose Carlos Pinto and Claudio Dariva
Pages 381-388 

46.   
 Modelling the phase behaviour and excess 
properties of alkane + perfluoroalkane binary 
mixtures with the SAFT–VR approach  • 
Pedro Morgado, Clare McCabe and Eduardo J. M. Filipe
Pages 389-393 

47.   
 Thermodynamic method for obtaining the 
solubilities of complex medium-sized 
chemicals in pure and mixed solvents  • 
J. Abildskov and J.P. O’Connell
Pages 395-400 

48.   
 Viscosity correlations for minor constituent
 fluids in natural gas: n-octane, n-nonane 
and n-decane,   • Pages 401-408 
Marcia L. Huber, Arno Laesecke and Hong Wei Xiang
ERRATUM

49.   
 Application to binary mixtures of a group 
contribution SAFT EOS (GC-SAFT)  • 
Sofiane Tamouza, J.-Philippe Passarello,
Pascal Tobaly and J.-Charles de Hemptinne
Pages 409-419 

50.   
 Dense-gas fractionation of mixtures of 
petroleum macromolecules  • 
William F. Edwards and Mark C. Thies
Pages 421-426 

51.   
 Three and four phase predictions for 
polyethylene + hydrocarbon systems  • 
R.A. Krenz, R.A. Heidemann and Th.W. de Loos
Pages 427-437 

52.   
 Solubility measurement and prediction of 
 carbon dioxide in ionic liquids  • 
 Y.S. Kim, W.Y. Choi, J.H. Jang, K.-P. Yoo and C.S. Lee
 Pages 439-445 

53.   
 Strategies for recovering phenol from wastewater: 
 thermodynamic evaluation and environmental concerns  • 
 R.T.P. Pinto, L. Lintomen, L.F.L. Luz, Jr. and M.R. Wolf-Maciel
 Pages 447-457 

54.   
 Density functional theory applied to thermochemical
 calculations for phenol reactions  • 
 Miria H.M. Reis, Hueder P.M. de Oliveira, Teresa D.Z. Atvars, 
 Liege F.S.   Mascolo and Maria Regina Wolf-Maciel

55.   
 Solubility of carbon dioxide in an aqueous 
 mixture of methyldiethanolamine and N-methylpyrrolidone
 at elevated pressures  • 
 F.-Y. Jou and A.E. Mather
 Pages 465-469 

56.   
 Phase behaviors of solid polymer electrolyte/salt 
 systems in lithium secondary battery: the ionic 
 interaction and nonrandomness effect  • 
 Sung Jin Pai and Young Chan Bae
 Pages 471-477 

57.   
 Modeling vapor–liquid interfaces with the 
 gradient theory in combination with the CPA equation of state  • 
 Antonio J. Queimada, Christelle Miqueu, 
 Isabel M. Marrucho, Georgios M.  Kontogeorgis
 and Joao A.P. Coutinho
 Pages 479-485 

58.   
 Phase equilibria in systems with specific 
 CO2–polymer interactions  • 
 Ibrahim A. Ozkan and Amyn S. Teja
 Pages 487-491 

59.   
 Measurement and modeling of vapor–liquid 
 equilibria at high salt concentrations  • 
 P. Kolar, H. Nakata, A. Tsuboi, P. Wang and A. Anderko
 Pages 493-497 

60.   
 Hydrogen solubility in a chemical hydrogen
 storage medium, aromatic hydrocarbon, 
 cyclic hydrocarbon, and their mixture
 for fuel cell systems  • 
 Tomoya Tsuji, Yoshiko Shinya, Toshihiko Hiaki
 and Naotsugu Itoh
 Pages 499-503 

61.   
 Sensitivity of methane hydrate phase 
 equilibria to sediment pore size  • 
 Douglas J. Turner, Robert S. Cherry and E. Dendy Sloan
 Pages 505-510 

62.   
 Interfacial properties of polystyrene
 in contact with carbon dioxide  • 
 Sabine Enders, Heike Kahl and Jochen Winkelmann
 Pages 511-522 

63.   
 Decomposition behavior of 
poly(ethylene-2,6-naphthalene dicarboxylate)
in high temperature water  • 
Osamu Sato, Kunio Arai and Masayuki Shirai
Pages 523-525 

64.   
 Measurement and prediction of activity 
coefficients of solvents in polymer solutions 
using gas chromatography and a cubic-perturbed 
equation of state with group contribution  • 
Katsumi Tochigi, Shinpei Kurita, Yuich Okitsu, 
Kiyofumi Kurihara and Kenji Ochi
Pages 527-533 

65.   
 Self-diffusion coefficients of ions in 
primitive model electrolyte solutions by 
smart Brownian dynamics simulation  • 
Hong-Bing Shi, Guang-Hua Gao and Yang-Xin Yu
Pages 535-540 

66.   
 Measurement and correlation of liquid–liquid 
equilibria and partition coefficients of 
benzothyophene and benzothyophene 1,1-dioxide 
for acetonitrile + n-octane system  • 
Takeshi Furuya, Souko Yamagami, Kazumasa Yazu, 
Ikuo Saito and Keiji Miki
Pages 541-545 

67.   
 Measurement and correlation for solubilities 
of alkali metal chlorides in water vapor at 
high temperature and pressure  • 
Hidenori Higashi, Yoshio Iwai, Kota Matsumoto, 
Yoshiaki Kitani, Fumio Okazaki, 
Yusuke Shimoyama and Yasuhiko Arai
Pages 547-551 

68.   
 Methane recovery from methane hydrate
 using pressurized CO2  • 
 Masaki Ota, Yuki Abe, Masaru Watanabe, 
 Richard L. Smith, Jr. and Hiroshi Inomata
 Pages 553-559 

69.   
 Parameterization of molecular-based equations of state  • 
 A. Bouza, C.M. Colina and C.G. Olivera-Fuentes
 Pages 561-575 

70.   
 A simplified molecular-thermodynamic model of 
a microphase-separated ionic gel swollen in salt solution  • 
A. Victorov
Pages 577-585 

71.   
 Subject Index  
Pages 587-588 

72.   
 Author Index  • 
Pages 589-590