Fluid Phase Equilibria, 2002, V 194-197, 30 March.
Proceedings of the Ninth International Conference on Properties and Phase
Equilibria for Product and Process Design
Kurashiki, Japan, 20 May 2001
Edited by Koichiro Nakanishi, Yasuhiko Arai & Yoshimori Miyano
Koichiro Nakanishi, Yasuhiko Arai and Yoshimori Miyano
Preface
1
Heriberto Cabezas and Brian D. Fath
Towards a theory of sustainable systems
3-14
R. Dohrn and O. Pfohl
Thermophysical propertiesIndustrial directions
15-29
H.W. Blanch, J.M. Prausnitz, R.A. Curtis and D. Bratko
Molecular thermodynamics and bioprocessing: from intracellular events
to bioseparations
31-41
Rafiqul Gani and Efstratios N. Pistikopoulos
Property modelling and simulation for product and process design
43-59
Stanley I. Sandler, Shiang-Tai Lin and Amadeu K. Sum
The use of quantum chemistry to predict phase behavior for environmental
and process engineering
61-75
Jeong Won Kang, Ju Ho Lee, Ki-Pung Yoo and Chul Soo Lee
Evaluation of equations of state applicable to polymers and complex systems
77-86
Review
Patrice Paricaud, Amparo Galindo and George Jackson
Recent advances in the use of the SAFT approach in describing electrolytes,
interfaces, liquid crystals and polymers
87-96
Ying Hu, Honglai Liu and Wenchuan Wang
Molecular thermodynamics concerning complex materials
97-106
J. Barthel, H. Krienke, R. Neueder and M.F. Holovko
The role of ion-aggregate formation in the calculation of physical properties
of electrolyte solutions
107-122
Andrzej Anderko, Peiming Wang and Marshall Rafal
Electrolyte solutions: from thermodynamic and transport property models to the
simulation of industrial processes
123-142
C.A. Koh et al.
Mechanisms of gas hydrate formation and inhibition
143-151
H. Takahashi, K. Yuki and T. Nitta
Chemical modification of rutile TiO2(1 1 0) surface by ab initio calculations
for the purpose of CO2 adsorption
153-160
J. Richard Elliott Jr.
Optimized step potential models for n-alkanes and benzene
161-168
Aileen Cheung, Claire S. Adjiman, Petr Kolar and Takeshi Ishikawa
Global optimization for clusters of flexible moleculessolvent-solute interaction
energy calculations
169-183
Clare McCabe, Yurij V. Kalyuzhnyi and Peter T. Cummings
Thermodynamic properties of freely-jointed hard-sphere multi-Yukawa chain
fluids: theory and simulation
185-196
Monica H. Lamm and Carol K. Hall
Equilibria between solid, liquid, and vapor phases in binary Lennard-Jones
mixtures
197-206
Yosuke Kataoka and Yuri Yamada
Monte Carlo simulation on the free energy of homogeneous nucleation in the
supersaturated Lennard-Jones vapor phase
207-217
Nandou Lu, C. Daniel Barnes and David A. Kofke
Free-energy calculations for fluid and solid phases by molecular simulation
219-226
Guang-Wen Wu and Richard J. Sadus
Molecular simulation of liquid-crystal transitions in hard prolate ellipsoid
monomers and dimers
227-231
Martin Lisal, Carol K. Hall, Keith E. Gubbins and Athanassios Z. Panagiotopoulos
Micellar behavior in supercritical solvent-surfactant systems from lattice Monte
Carlo simulations
233-247
Scott Wierzchowski and David A. Kofke
UB association bias algorithm applied to the simulation of hydrogen fluoride
249-256
Jian Zhou, Xiaohua Lu, Yanru Wang and Jun Shi
Molecular dynamics study on ionic hydration
257-270
Tetsuo Honma, Shunsuke Kuzuhara, Chee Chin Liew and Hiroshi Inomata
Phase behavior and physico-chemical properties of aqueous electrolyte solutions
near the critical point via molecular dynamics simulation with gravity
perturbation
271-280
Jun Cai, Honglai Liu and Ying Hu
Density functional theory and Monte Carlo simulation of mixtures of hard sphere
chains confined in a slit
281-287
Xianren Zhang and Wenchuan Wang
Methane adsorption in single-walled carbon nanotubes arrays by molecular
simulation and density functional theory
289-295
Chong Gu, Guang-Hua Gao, Yang-Xin Yu and Tomoshige Nitta
Simulation for separation of hydrogen and carbon monoxide by adsorption on
single-walled carbon nanotubes
297-307
S. Furukawa, C. McCabe, T. Nitta and P.T. Cummings
Non-equilibrium molecular dynamics simulation study of the behavior of
hydrocarbon-isomers in silicalite
309-317
Yasunori Kobayashi, Seiichi Takami, Momoji Kubo and Akira Miyamoto
Non-equilibrium molecular simulation studies on gas separation by microporous
membranes using dual ensemble molecular simulation techniques
319-326
David A. Kofke and Bryan C. Mihalick
Web-based technologies for teaching and using molecular simulation
327-335
Juha-Pekka Pokki, Mika Aalto and Kari I. Keskinen
Remarks on computing the density of dense fluids by Aalto-Keskinen model
337-351
D. Minicucci, X.-Y. Zou and J.M. Shaw
The impact of liquid-liquid-vapour phase behaviour on coke formation from model
coke precursors
353-360
Vinh Quang Vu, Pierre Duchet Suchaux and Walter Furst
Use of a predictive electrolyte equation of state for the calculation of the gas
hydrate formation temperature in the case of systems with methanol and salts
361-370
A.L. Ballard and E.D. Sloan Jr.
The next generation of hydrate prediction - I. Hydrate standard states and
incorporation of spectroscopy
371-383
Chorng H. Twu, Wayne D. Sim and Vince Tassone
A versatile liquid activity model for SRK, PR and a new cubic equation-of-state
TST
385-399
C.J. Kedge and M.A. Trebble
An empirical near-critical correction for cubic and non-cubic equations of state
401-409
Dan Vladimir Nichita, Susana Gomez and Eduardo Luna
Phase stability analysis with cubic equations of state by using a global
optimization method
411-437
Loic Benayoun and Patrick Valentin
Evolution of equations of state through contact transformations
439-449
D. Browarzik and M. Kowalewski
Calculation of the cloud-point and the spinodal curve for the system
methylcyclohexane/polystyrene at high pressures
451-467
Thomas Kraska, Kai O. Leonhard, Dirk Tuma and Gerhard M. Schneider
Correlation of the solubility of low-volatile organic compounds in near and
supercritical fluids - Part II. Applications to Disperse Red 60 and two
disubstituted anthraquinones
469-482
Jaw-Shin Cheng, Muoi Tang and Yan-Ping Chen
Correlation of solid solubility for biological compounds in supercritical carbon
dioxide: comparative study using solution model and other approaches
483-491
S. Pereda, S.B. Bottini and E.A. Brignole
Gas-liquid reactions under supercritical conditionsphase equilibria and
thermodynamic modeling
493-499
F.J. Blas and A. Galindo
Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the
SAFT-VR approach with transferable parameters
501-509
M.L. Huber, E.W. Lemmon and D.G. Friend
Modeling bubble points of mixtures of hydrofluorocarbon refrigerants and polyol
ester lubricants
511-519
Guy J. Gloor, Felipe J. Blas, Elvira Martin del Rio, Enrique de Miguel and George Jackson
A SAFT-DFT approach for the vapour-liquid interface of associating fluids
521-530
P.M. Ndiaye, C. Dariva, J.Vladimir Oliveira and F.W. Tavares
Improving the SAFT-EOS by using an effective WCA segment diameter
531-539
Feelly Tumakaka, Joachim Gross and Gabriele Sadowski
Modeling of polymer phase equilibria using Perturbed-Chain SAFT
541-551
Coray M. Colina, Carol K. Hall and Keith E. Gubbins
Phase behavior of PVAC-PTAN block copolymer in supercritical carbon dioxide
using SAFT
553-565
Nicola Elvassore and John M. Prausnitz
Fluid-solid equilibria of chain-like molecules
567-577
Min Sun Yeom, Jaeeon Chang and Hwayong Kim
Equation of state based on the thermodynamic perturbation theory of sequential
polymerization for associating molecules and polymers
579-586
Nicola Elvassore, Alberto Striolo and Alberto Bertucco
Thermodynamic modeling of high-pressure equilibria within the McMillan-Mayer
framework
587-598
Silvana Mattedi, Frederico W. Tavares and Marcelo Castier
High pressure phase equilibrium calculations for hydrocarbon systems using an
equation of state based on the lattice fluid theory
599-607
B.H. Park, J.W. Kang, K.-P. Yoo and C.S. Lee
Extended hydrogen-bonding lattice fluid theory for dimers and n-mers
609-617
Ronald P. Danner, Mourad Hamedi and B.-C. Lee
Applications of the group-contribution, lattice-fluid equation of state
619-639
Satoru Kato, Daisuke Hoshino, Hidetaka Noritomi and Kunio Nagahama
Infinite dilution activity coefficients of n-alkane solutes, butane to decane,
in n-alkane solvents, heptane to hexatriacontane
641-652
K. Tochigi et al.
Determination of ASOG parameters for selecting azeotropic mixtures containing
hydrofluoroethers
653-662
Thomas Lindvig, Line L. Hestkj?r, Anders F. Hansen, Michael L. Michelsen and
Georgios M. Kontogeorgis
Phase equilibria for complex polymer solutions
663-673
Jeong Gyu Jang, Ji Yeon Huh and Young Chan Bae
Phase behavior of dendritic polymer/polar solvent: the effects of
compressibility, architecture and hydrogen bondings
675-688
Jianzhong Wu and John Prausnitz
Phase equilibria in a system of "breathing" molecules
689-700
Hideaki Takamatsu and Shuzo Ohe
Modified solvation model for salt effect on vapor-liquid equilibria
701-715
A. Balaban, G. Kuranov and N. Smirnova
Phase equilibria modeling in aqueous systems containing 2-propanol and calcium
chloride or/and magnesium chloride
717-728
Mourad Cherif, Arbi Mgaidi, Mohamed Naceur Ammar, Manef Abderrabba and Walter Furst
Representation of VLE and liquid phase composition with an electrolyte model:
application to H3PO4-H2O and H2SO4-H2O
729-738
Heike Kahl and Sabine Enders
Thermodynamics of carbohydrate surfactant containing systems
739-753
Jiu-Fang Lu, Dong Fu, Jin-Chen Liu and Yi-Gui Li
Application of density functional theory for predicting the surface tension of
pure polar and associating fluids
755-769
Petr Kola, Jun-Wei Shen, Akio Tsuboi and Takeshi Ishikawa
Solvent selection for pharmaceuticals
771-782
Kiyoteru Takano, Rafiqul Gani, Takeshi Ishikawa and Petr Kolar
Conceptual design and analysis methodology for crystallization processes with
electrolyte systems
783-803
Chongli Zhong, C.J. Peters and J. de Swaan Arons
Thermodynamic modeling of biomass conversion processes
805-815
Milan Zabransky and Vlastimil Rika
Heat capacity of liquids: a survey and data needs
817-824
F.-Y. Jou, H.-J. Ng, J.E. Critchfield and A.E. Mather
Solubility of propane in aqueous alkanolamine solutions
825-830
Nathalie Bureau, Denis Defiolle and Jean-Charles de Hemptinne
Phase equilibria of (methane-long chain ester cuts) systems in drilling
conditions
831-846
Yoshiyuki Sato, Tadao Takikawa, Michiyo Yamane, Shigeki Takishima and Hirokatsu Masuoka
Solubility of carbon dioxide in PPO and PPO/PS blends
847-858
Mitsuhiro Kanakubo et al.
High-pressure NMR studies on solvation structure in supercritical carbon dioxide
859-868
Richard L. Smith Jr. et al.
Temperature dependence of dielectric spectra of carbon dioxide and methanol
mixtures at high-pressures
869-877
B. Yepez, M. Espinosa, S. Lopez and G. Bolanos
Producing antioxidant fractions from herbaceous matrices by supercritical fluid
extraction
879-884
Marleny D.A. Saldana, Rahoma S. Mohamed and Paulo Mazzafera
Extraction of cocoa butter from Brazilian cocoa beans using supercritical CO2
and ethane
885-894
Kenji Mishima, Kiyoshi Matsuyama, Hideharu Ishikawa, Ken-ichiro Hayashi and Shingo Maeda
Measurement and correlation of solubilities of azo dyes and anthraquinone in
supercritical carbon dioxide
895-904
A. Kordikowski, M. Siddiqi and S. Palakodaty
Phase equilibria for the CO2 + methanol + sulfathiazole system at high pressure
905-917
Kenji Ochi et al.
Measurement and correlation of excess molar enthalpies for the systems
containing supercritical carbon dioxide and alcohols
919-928
B. Schafer, A.E. Mather and K.N. Marsh
Enthalpies of solution of carbon dioxide in mixed solvents
929-935
Kenji Fukuchi, Katsumi Miyoshi, Toru Watanabe, Setsuko Yonezawa and Yasuhiko Arai
Measurement and correlation of infinite dilution activity coefficients of
alkanol or ether in aqueous solution
937-945
S.A. Cooke, S.O. Jonsdottir and P. Westh
Phase equilibria of carbohydrates: the study of a series of glucose oligomers
from glucose to maltopentaose in aqueous solution - Experimental versus
predicted data using various UNIQUAC/UNIFAC models
947-956
Sonia Loras, Antonio Aucejo and Rosa Munoz
Phase equilibria in the systems 3-methylpentane + methylcyclohexane, diisopropyl
ether + methylcyclohexane and 3-methylpentane + diisopropyl ether +
methylcyclohexane at 101.3 kPa
957-968
Toshihiko Hiaki, Makiko Nanao, Shingo Urata and Junji Murata
Vapor-liquid equilibria for 1,1,2,3,3,3-hexafluoropropyl, 2,2,2-trifluoroethyl
ether with several organic solvents
969-979
Ji Young Park, Jong Sung Lim and Byung Gwon Lee
High pressure vapor-liquid equilibria of binary mixtures composed of HFC-32,
125, 134a, 143a, 152a, 227ea and R600a (isobutane)
981-993
Ryo Kato, Katsushi Shirakawa and Hideo Nishiumi
Critical locus and vapor-liquid equilibria of HFC32-HFC125 system
995-1008
Arndt L. Scheidgen and Gerhard M. Schneider
Complex phase equilibrium phenomena in fluid ternary mixtures up to 100 MPa:
cosolvency, holes, windows, and islandsreview and new results
1009-1028
Gerard H. van Bochove, Gerard J.P. Krooshof and Theo W. de Loos
Two- and three-liquid phase equilibria in the system water+2-
heptanone+caprolactam+ammonium sulfate: experiments and modeling
1029-1044
Taher A. Al-Sahhaf, Mohammed A. Fahim and Amal S. Elkilani
Retardation of asphaltene precipitation by addition of toluene, resins,
deasphalted oil and surfactants
1045-1057
Peter Pang and Peter Englezos
Phase separation of polyethylene oxide (PEO)-water solution and its relationship
to the flocculating capability of the PEO
1059-1066
Honglai Liu, Yongmin Huang, Kun Wang and Ying Hu
Vapor-liquid equilibria for mixed solvents-polymer systems, measurement and
correlation
1067-1075
L. Mokrushina, T. Churyusova, K. Savchuk, Yu. Morozova and N. Smirnova
Critical micelle concentration and phase behavior of aqueous mixtures of
dodecylsulfates and sodium ethoxydodecylsulfate
1077-1087
David Shan Hill Wong, Jia Pei Chen, Jyh Ming Chang and Cheng Huang Chou
Phase equilibria of water and ionic liquids [emim][PF6] and [bmim][PF6]
1089-1095
Kiwamu Sue et al.
Flow-through electrochemical cell for pH measurement of organic acid aqueous
solutions at subcritical and supercritical conditions
1097-1106
Hiroshi Takiyama, Hirobumi Suzuki, Hirohisa Uchida and Masakuni Matsuoka
Determination of solid-liquid phase equilibria by using measured DSC curves
1107-1117
M. Yang, E. Terakawa, Y. Tanaka, T. Sotani and S. Matsuo
Solid-liquid phase equilibria in binary (1-octanol + n-alkane) mixtures under
high pressure - Part 1. (1-Octanol + n-tetradecane or n-hexadecane) systems
1119-1129
L.A.F. Coelho, J.V. de Oliveira, F.W. Tavares and M.A. Matthews
Role of attractive forces in self-diffusion and mutual diffusion in dense simple
fluids and real substances
1131-1140
Yu Zhu, Xiaohua Lu, Jian Zhou, Yanru Wang and Jun Shi
Prediction of diffusion coefficients for gas, liquid and supercritical fluid:
application to pure real fluids and infinite dilute binary solutions based on
the simulation of Lennard-Jones fluid
1141-1159
Hidenori Higashi, Yoshio Iwai, Tsuyoshi Oda, Yuji Nakamura and Yasuhiko Arai
Concentration dependence of diffusion coefficients for supercritical carbon
dioxide + naphthalene system
1161-1167
Toshitaka Funazukuri, Chang Yi Kong and Seiichiro Kagei
Measurements of binary diffusion coefficients for some low volatile compounds in
supercritical carbon dioxide by input-output response technique with two
diffusion columns connected in series
1169-1178
Suojiang Zhang, Akio Tsuboi, Hiroaki Nakata and Takeshi Ishikawa
Activity coefficients and diffusivities of solvents in polymers
1179-1189
Claus K. Zeberg-Mikkelsen, Sergio E. Quinones-Cisneros and Erling H. Stenby
Viscosity modeling of associating fluids based on the friction theory: pure
alcohols
1191-1203
S. Matsuo, Y. Tanaka and T. Sotani
Experimental study on the transport properties of fluorinated ethers
1205-1213
Subject Index
1215-1218
Author Index
1219-1221
Contents of volume 194-197
1223-1227
Calendar
1229-1230