Sunday, January 12
Registration & Welcome Party
14:00-16:30 at Ohgi-room 4F, Keio Plaza Hotel Hachioji, Hachioji
Monday, January 13
Welcome Address
10:00-10:20
President of Hosei University Tadao Kiyonari
Plenary Session
Chair: H. Nishiumi
10:20-11:10 101
Thermodynamic Modeling of Near-Critical Solutions
John P. O'Connell
Department of Chemical Engineering,Universit y of Virginia,USA
11:10-12:00 102
Molecular Interaction and Simulation Studies in Supercritical Fluid and
Related Regions
Koichiro Nakanishi
Department of Chemical Technology, Kurashiki,University of Science and
the Arts, Japan
Session 1
Chair: K. Nagahama
13:00-13:20 103
Molecular Dynamics Study of Structure of Clusters in Supercritical Lennard-
Jones Fluid
Noriyuki Yoshii, Susumu Okazaki
Department of Electronic Chemistry, Tokyo,Institute of Technology, Japan
13:20-13:40 104
Monte Carlo Simulation of Solubilities of Naphthalene, Phenanthrene and
Anthracene in Supercritical Fluids
Yoshio Iwai, Yasuhiko Mori, Hirohisa Uchida, Yasuhiko Arai
Department of Chemical Engineering,Kyushu University, Japan
13:40-14:30 105
Theory and Simulation of Polymeric Networks and Gels
Juan de Pablo
Department of Chemical Engineering,University of Wisconsin, USA
14:30-14:50 106
Molecular Dynamics of Fluid Phase Change
Mitsuhiro Matsumoto
Department of Applied Physics, Nagoya University, Japan
Session 2
Chair: H. Masuoka
15:10-16:00 107
Molecular Simulation of Adsorption and Phase Equilibria in Porous Media
Keith E. Gubbins
School of Chemical Engineering, Cornell University, USA
16:00-16:20 108
Computer Simulation Studies of Adsorption Characteristics in Supercritical
Fluids
Tomoshige Nitta
Takeshiro Shigeta, Department of Chemical Engineering, Osaka University,
Japan
16:20-16:40 109
Lattice-Hole Based Equations of State and Their Applications to Complex
Fluids
Chul Soo Lee, Ki-Pumg Yoo
Department of Chemical Engineering, Korea University, Korea
16:40-17:00 110
Group Contribution Simplified Hole Theory Equation of State for Liquid
Polymers and Solvents and Their Solutions
Wenchuan Wang, Xianling Liu, Chongli Zhong
College of Chemical Engineering, Beijing University of Chemical Technology,
P.R.China
Tuesday, January 14
Session 3
Chair: H. Inomata
9:00-9:50 201
Simulation of Phase Equilibria for Complex Fluids: New Computational Methodologies
and Development of Intermolecular Potentials for Applications Athanassios
Z. Panagiotopoulos
School of Chemical Engineering, Cornell University, USA
9:50-10:10 202
Molecular Dynamics Simulation of Phospolipid Bilayer Membrane
Yuji Takaoka, Hiroh Miyagawa, Kunihiro Kitamura, Akihiro Kusumi
Molecular Science Laboratory, Medicinal Research Laboratories, Taisho Pharmaceutical
Co., Ltd., Japan
10:10-10:30 203
Thermodynamics of Polymer Physical Gels
Ming Yu
Beijing University of Technology and China Petro-Chemical Corporation,
P.R.China
Session 4
Chair: K. Takeuchi
10:50-11:10 204
PVT Measurements for Multicomponent Mixtures of Steam at High Temperatures
by MC Simulation
Kenji Kinoshita and Masahiko Uematsu
Department of Mechanical Engineering, Keio University, Japan
11:10-11:30 205
Thermodynamic Properties of Fluorinated Ethers As Alternative Refrigerants
Takeshi Sako, Masahito Sato, Osamu Kitao,(National) Ryoichi Yamamoto(Kyoto
University)
National Institute of Materials and Chemical Research, Japan
11:30-11:50 206
Prediction of Salt Effect on Vapor-Liquid Equilibria by Preferential Solvation
Shuzoh Ohe
Department of Chemical Engineering, Science University of Tokyo, Japan
11:50-12:10 207
Present Status of Group Contribution Methods for the Synthesis and Design
of Chemical Processes
Jurgen Gmehling
Technische Chemie (FB9), Universitat Oldenburg, Germany
Session 5
Chair: M. Uematsu
13:10-14:00 208
Thermodynamics of Polyamorphic Phase Transition In Network-Forming Fluids
Pablo G. Debenedetti, Christopher J. Roberts
Department of Chemical Engineering, Princeton University, USA
Cultural Session
Chair: K. Tochigi
14:00-14:40
Enjoy Western Tokyo
Koreatsu Miyahara, Otaki Gas Co. Ltd., Japan
Poster Session
14:50-16:20 at Kenshu-room, 3F
Program of the Poster Session is listed elsewhere.
Tea Ceremony
Data Base Demonstration
Banquet
17:00-19:00 at Ukai-Toriyama, Okutakao
Wednesday, January 15 Coming of Age Day
Session 6
Chair: T. Nitta
9:00-9:50 301
Some Phase Equilibria of Practical Significance
Jacob de Swaan Arons
Department of Inorganic Chemistry and Thermodynamics, Delft University
of Technology, The Netherlands
9:50-10:10 302
Molecular Dynamics Simulations of Coupled Heat- and Mass Transport and
Phase Equilibria
Bj(rn Hafskjold
Department of Physical Chemistry, Norwegian University of Science and Technology,
Norway
10:10-10:30 303
Self-Diffusion Coefficient and Viscosity of CHF3 Near the Critical Region
Chiaki Yokoyama, Tooru Hasebe
Institute for Chemical Reaction Science, Tohoku University, Japan
Session 7
Chair: C. Yokoyama
10:50-11:40 304
Hydrophobicity
A. D.J.Haymet, K.A.T.Silverstein, K.A.Dill
School of Chemistry, University of Sydney, Australia
11:40-12:00 305
Anomalies in the Concentration Fluctuations and the Mutual Diffusion Coefficient
of 2-Dimensional Lennard-Jones Mixture in the Supercritical Region
Yosuke Kataoka, Department of Materials Chemistry
Hosei University, Japan
12:00-12:20 306
Phase Equilibrium Properties of Ethane+Methanol System at 298.15K
Katsuo Ishihara, Mitsuhiro Akiyama, Hiroyuki Tanaka, Masahiro Kato
Department of Industrial Chemistry, Nihon University, Japan
Session 8
Chair: U. Nagashima
13:20-14:10 307
Dynamics of Hydrogen Bonded Liquids; Fluctuation and Reaction Dynamics
Iwao Ohmine
Department of Chemistry, Nagoya University, Japan
14:10-14:30 308
Relative Permittivity and Dielectric Relaxation for Understanding Hydrogen
Bonding Interactions
Richard Lee Smith, Jr.
Research Center of Supercritical Fluid Technology, Tohoku University, Japan
14:30-14:50 309
Dynamical Structure of Liquid Water and Water in Aqueous Solutions by Low-Frequency
Raman Scattering Spectroscopy
Yasunori Tominaga
Department of Physics, Ochanomizu University, Japan
Final Session
Chair: Y. Arai
15:10-16:00 310
Molecular Simulation of Complex Systems using Massively Parallel Supercomputers
Peter T. Cummings
Department of Chemical Engineering, The University of Tennessee, USA
16:00-16:20 311
Modeling of Gas Solubilities in Polymers with Cubic Equation of State Chongli
Zhong
Hirokatsu Masuoka,
Department of Chemical Engineering, Hiroshima University, Japan
16:20-16:40 312
Vapor-Liquid Equilibria From Molecular Simulations Using the Algorithm
in Equation of State Calculations
Yoshimori Miyano
Department of Chemical Technology, Kurashiki University of Science and
the Arts, Japan
16:40-17:00 313
Prediction of Vapor-Liquid Equilibria in Non-Polymer and Polymer Solutions
Using an ASOG-based Equation of State (PRASOG)
Katsumi Tochigi
Department of Industrial Chemistry, Nihon University, Japan
Closing Address
17:00-17:10
Symposium Chairman of MTMS'94
Koichiro Nakanishi