Measurement of thermodynamic functions of solid phase for DD, DF, OCDD and OCDF, and estimation of thermodynamic functions of gas phase for PCDD/Fs using molecular orbital method with density functional theory

Etsuro Shibata, Satoru Yamamoto, Hirotaka Koyo, Takashi Ikeda, Eiki Kasai, Masafumi Maeda, Takashi Nakamura

研究成果: Article査読

5 被引用数 (Scopus)

抄録

In this study, heat capacities of solid phase, melting points and enthalpies of fusion for DD, DF, OCDD and OCDF were measured by a modulated differential scanning calorimeter. Thermodynamic functions of gas phase such as heat capacity, entropy and standard enthalpy of formation for PCDD/Fs were calculated by the molecular orbital method with density functional theory, which is viewed as the one of the most accurate methods at present. The temperature dependences of enthalpies of formation for DD, DF, OCDD and OCDF can be estimated in the range from the solid phase to the gas phase using the data obtained in this study and reference data.

本文言語English
ページ(範囲)2531-2536
ページ数6
ジャーナルMaterials Transactions
42
12
DOI
出版ステータスPublished - 2001 12

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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「Measurement of thermodynamic functions of solid phase for DD, DF, OCDD and OCDF, and estimation of thermodynamic functions of gas phase for PCDD/Fs using molecular orbital method with density functional theory」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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