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1990 Fiscal Year Final Research Report Summary

Chemical Reaction in Medium-Density Argon

Research Project

Project/Area Number 01540371
Research Category

Grant-in-Aid for General Scientific Research (C)

Allocation TypeSingle-year Grants
Research Field 物理化学一般
Research InstitutionKyoto University

Principal Investigator

YOSHIMURA Yosuke  Kyoto University, Faculty of Science, Assistant, 理学部, 助手 (10192428)

Project Period (FY) 1989 – 1990
KeywordsFluid / Argon / Chemical Reaction / Solvent Effect / Statistical Mechanics / High Pressure
Research Abstract

1. Experimental Studies.
(1) We made apparatus by which we can measure the UV-visible absorption up to 200 MPa. Argon is compressed by the compressor driven by oil pressure (HydroPac, C-30-0.50-2CX).
(2) We studied in argon (i) Keto-enol tautomeric equilibrium reaction of b-diketones and (ii) the dimerization equilibrium reaction of 2-methyl-2-mitrosopropane. Especially we carried out the experiments on the Keto-enol equilibrium reaction of ethyl acetylacetone in carbon dioxide and R-23, as well as argon, and get the following results : (i) Solvent effect is large in the low density region and (ii) argon shows the opposite effect to carbon dioxide and R-23. Although a more advanced study is needed to interpret the behavior in medium and high density region, the behavior in the low density region was explained by considering the difference of the nature of solute-solvent interaction.
2. Theoretical Studies.
(1) Chemical reaction in the modelled one-dimensional fluid : It was clarified that the behavior of the dimerization equilibrium constant of the real system is roughly reproduced by the simple one-dimensional model with nearest-neighbor interaction.
(2) Physico-chemical properties of one-dimensional fluids : A better understanding on the negative thermal expansion of fluids was promoted. It was clarified that the negative thermal expansion is originated from soft repulsive interaction between molecules.
(3) Chemical reaction in medium density region on the basis of the integral equation method : We carried out the calculation on the simple model for three dimensional fluids in which the molecules interact by Lennard-Jones potential, on the basis of the integral equation method. It was clarified that various phenomena will be shown by the potential parameters enen in the simple fluid system.

  • Research Products

    (8 results)

All Other

All Publications (8 results)

  • [Publications] Y.Kimura: "Soluteーsolute potential of mean force in simpl fluids at infinite dilution" Mol.Phys.72. 279-294 (1991)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Akao: "Ketoーenol tautomeric equilibrium of acetylacetone in trifluoromethane near the critical temperature" J.Chem.Phys.

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Yoshimura: "Negative thermal expansion in oneーdimensional fluids" Ber.Bunsenges.Phys.Chem.95. 0000-0000 (1991)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Kimura: "Dimerization equilibrium of 2ーmethylー2ーnitrosopropane in fluids from gas to liquid densities""

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y. Kimura and Y. Yoshimura: "Solute-Solute Potential of Mean Force in Simple Fluids at Infinite Dilution" Mol. Phys. 72. 279-294 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K. Akao and Y. Yoshimura: "Keto-Enol Tautomeric Equilibrium of Acetylacetone in Trifluoromethane near the Critical Temperature" J. Chem. Phys.

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y. Yoshimura: "Negative Thermal Expansion in One-Dimensional Fluids" Ber. Bunsenges. Phys. Chem.95. (1991)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y. Kimura and Y. Yoshimura: "Dimerization Equilibrium of 2-Methyl-2-Nitrosopropane in Fluids from Gas to Liquid Densities"

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 1993-08-12  

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