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Poster Session

P01 Maximum Point of Diffusion Coefficients in Supercritical Carbon Dioxide
Ken-ichi Ago, Minoru Fujita, Akinobu Konda, Takeshi Asakura, Hideo Nishiumi
Chemical Engineering Laboratory, Hosei University, Japan

P02 MD Engine, a Special-Purpose Machine for Molecular Dynamics Simulation
Takashi Amisaki, Takaji Fujiwara, Shinjiro Toyoda, Hiroh Miyagawa, Kunihiro Kitamura, Eiri Hashimoto, Hitoshi Ikeda, Nobuaki Miyakawa, Akihiro Kusumi
Faculty of Science and Engineering, Shimane University, Japan

P03 A Variational Perturbation Theory for Lennard-Jones Chain Mixtures
Yee C. Chiew, N. von Solms
Department of Chemical Engineering, Rutgers University,倀俽俙.

P04 Molecular Simulation of Adsorption on Porous Adsorbent
Kazuyuki Chihara, Hideo Miyajima, Hirotaka Mangyo, Yasushi Takeuchi
Department of Industrial Chemistry, Meiji University, Japan

P05 A Comparison Between Anderko's Model with Composition Dependentv Physical Interaction Parameters and SRK-based Hexamer Model for HFC and HF Systemsv Jungho Cho, Seungbaek Rho, Sangjin Park, Jongcheon Lee and Hwayong Kim
Department of Chemical Engineering, Seoul National University, Korea

P06 Isothermal Vapor-Liquid Equilibria of Octane with 1-Butanol, 2-Butanol, or 2-Methyl-2-Propanol
Toshihiko Hiaki, Akira Taniguchi, Tomoya Tsuji, Masaru Hongo
Department of Industrial Chemistry, Nihon University, Japan

P07 Diffusion Coefficients of Dimethylnaphthalene in Supercritical Carbon Dioxide
Hidenori Higashi, Yoshio Iwai, Yuichi Takahashi, Hirohisa Uchida, Yasuhiko Arai
Department of Chemical Engineering, Kyushu University , Japan

P08 Molecular Dynamics Simulation of Polymer Film
Makoto Ito, Mitsuhiro Matsumoto, Masao Doi
Department of Applied Physics, Nagoya University, Japan

P09 Liquid-Liquid Equilibria of Three Ternary Systems: 2-Ppropanone- Methanol-Glycerol, 2-Butanone-Ethanol-Glycerol and 2-Butanone- 2-Propanol-Glycerol in the Range of 288.15 and 303.15K
Hirotake Katayama, Tetsuya Hayakawa, Nobuhiro Satoh
Department of Materials Chemistry, Hosei University, Japan

P10 Transition State and Dynamics of No-barrier Fragmentation Reactions Into Polyatomic Molecules
Toshiko Kato
Seibo Jogakuin Jr. College, Japan

P11 A New Equation of State Based on Hole Theory
Jiho Park, Hwayong Kim
Department of Chemical Engineering, Seoul National University, Korea

P12 Cavitation Processes and Negative Pressure
Tomoyuki Kinjo, Mitsuhiro Matsumoto
Department. of Applied Physics, Nagoya University, Japan

P13 Theoretical Studies on the Cluster Structure in the Supercritical Area
(MIMC)National Institute of Materials and Chemical Research, Japan

P14 Phase Coexistence Properties of Polarizable Water Models
Kenji Kiyohara, Keith E. Gubbins, Athanassios Z. Panagiotopoulos
School of Chemical Engineering, Cornell University, USA

P15 Ab Initio Method for Predicting Tertiary Structures of Globular Proteins
Yukio Kobayashi, Hiroyuki Sasabe, Nobuhiko Saito
Department of Information Systems Science,, Soka University, Japan

P16 Application of UNIFAC Model to Partition Coefficient of Biochemicals Between Water and an Organic Solvent
Hidetoshi Kuramochi, Hidetaka Noritomi, Daisuke Hoshino, Satoru Kato, Kunio Nagahama
Department of Industrial Chemistry, Tokyo Metropolitan University, Japan

P17 Measurement and Correlation of Excess Molar Enthalpies for the 2- Butanol + Water and Methanol + Cyclohexane Systems with Limited Miscibility at 283.15, 288.15 and 298.15K
Kiyofumi Kurihara, Takao Iguchi, Kenji Ochi and Kazuo Kojima
Department of Industrial Chemistry, Nihon University, Japan

P18 A Flexible Molecular Model for Molecular Dynamics Studies of Near and Supercritical Water
Chee Chin Liew, Hiroshi Inomata, Kunio Arai
Research Center of Supercritical Fluid Technology, Tohoku University, Japan

P19 Dynamics of DNA During Biased Sinusoidal Field Gel Electrophoresis
Yuichi Masubuchi, Hidehiro Oana, Mitsuhiro Matsumoto, Masao Doi
Department of Materials Science & Engineering, Yamagata University, Japan

P20 A Molecular Simulation Study on the Equilibrium Properties of the Dioxane-Water System
M. Mamaril, S.Matsuo, Y.Mizuguchi, R.Yamamoto, Y.Tanaka, H.Kubota
Department of Chemical Engineering and Science, Kobe University, Japan

P21 Solubility of Polymer in the Mixtures Containing Supercritical Carbon Dioxide and Antisolvent
Kenji Mishima, Tsutomu Tokuyasu, Kiyoshi Matsuyama, Naoki Komorita Takashi Enjoji
Masanori Nagatani, Department of Chemical Engineering, Fukuoka University, Japan

P22 Solubility and Adsorption of High Pressure Carbon Dioxide (CO2) to Poly(styrene)(PS)
Ken-ichi Miura, Katsuo Otake, Shigeru Kurosawa, Takeshi Sako, Tsutomu Sugeta, Takeshi Nakane, Masahiko Sato, Tomoya Tsuji
Department of Industrial Chemistry, Nihon University, Japan

P23 Estimation of the Flammability Limits of Combustible Gases and Vapors in Air by a Group Contribution Method
Maria Molner-Joggagy
Division II.24/ Safety Information Systems, BAM, Federal Institute for Materials Research and Testing, Germany

P24 Vapor-Liquid Equilibrium for the Systems Containing HFC32, HFC125 and HFC134a
Kenji Okamoto, Masanao Kobayashi, Hideo Nishiumi
Chemical Engineering Laboratory, Hosei University, Japan

P25 Calculation of Rotational States of the Methane Molecule in Hexagonal Lattice
Yoshiaki Ozaki
Department of Chemistry, Nagoya Institute of Technology, Japan

P26 Development of a Modified SRK EOS with Composition Dependent Mixing Rule to Calculate the High Pressure VLE for the Binary and Ternary Hydrocarbon-CO2 System
Seung-Baik Rho, Jung-Ho Cho, Sung-Huyck Suh
Department of Chemical Engineering, Keimyung University, Korea

P27 Efficient Monte Carlo Method for Free Energy Evaluation of Polymer Chain
Jiro Sadanobu
Polymers & Materials Research Laboratory, Teijin Ltd., Japan

P28 Exact Calculation of the Effect of Three-body Axilrod-Teller Interactions on Vapour-Liquid Phase Coexistence
Richard J. Sadus
School of Computer Science and Software Engineering Swinburne University of Technology, Australia

P29 Prediction of PVT Properties of Polymer Melts Using New Group Contribution Equation of State
Yoshiyuki Sato, Hajime Hashiguchi, Shigeki Takishima, Hirokatsu Masuoka
Department of Chemical Engineering, Hiroshima University, Japan

P30 Vapor Pressure of CH3OCHF2 From HCFC22
Koichi Satoh, Taku Kasatani, Hideo Nishiumi
Department of Materials Chemistry, Hosei University, Japan

P31 Effects of Co-solvent on Solute Solubility in Infinitely Dilute Supercritical Solutions
Jun-Wei Shen Tamio Ikeshoji, Koichiro Nakanishi
Cluster Science Group National Institute for Advanced Interdisciplinary Research, Japan

P32 Permeation of Small Penetrants in Hydrogels
Yoshinori Tamai, Hideki Tanaka
Department of Polymer Chemistry, Kyoto University, Japan

P33 A Novel Approach to the Stability of Clathrate Hydrate: Grandcanonical MC Simulation
Hideki Tanaka
Department. of Polymer Chemistry, Kyoto University, Japan

P34 Volumetric Properties and Vapor-Liquid Equilibria for Carbon Dioxide+1- Propanol System at 313.15K
Rikio Yaginuma, Takashi Nakajima, Hiroyuki Tanaka, Masahiro Kato
Department of Industrial Chemistry, Nihon University, Japan

P35 A Non-Iterative Thermodynamic Model Applicable in Carbon Dioxide Injected Reservoir Simulation
Li-Sheng Wang, Zhao-Xin Long
Department of Chemical Engineering, Beijing Institute of Technology, P.R.China

P36 Molecular Dynamics Simulation of the Structural Development in Sol-Gel Process for Silica Systems
Keiji Yamahara, Keiji Okazaki
Mitsubishi Chemical Corporation, Japan

P37 Molecular Dynamics Simulation of Homogeneous Nucleation in Supersaturated Water Vapor
Kenji Yasuoka, Mitsuhiro Matsumoto
Department. of Applied Physics, Nagoya University, Japan

P38 Solvent-Induced Interactions Between Hydrophilic Polyatomic Sheets in Water
Kenichiro Koga, X.C.Zeng, Hideki Tanaka
Department of Chemistry, University of Nebraska-Lincoln, 倀俽俙.

P39 Prediction of Infinite Dilution Activity Coefficients in Aqueous Solutions by Group Contribution Models. A Critical Evaluation and Improvement
Suojiang Zhang, Toshihiko Hiaki, Masaru Hongo, Kazuo Kojima
Department of Industrial Chemistry, Nihon University, Japan