Thermal Conductivity of Long Chain Polymer Liquids: Molecular Dynamics Study on Contribution of Inter- and Intramolecular Energy Transfer

• Chia Yuan TAN

  東北大学大学院工学研究科 東北大学流体科学研究所

• TORII Daichi

  株式会社 日立プラントテクノロジー 研究開発本部 土浦研究所

• KOSUGI Naohiro

  東北大学大学院工学研究科 東北大学流体科学研究所

• KIKUGAWA Gota

  東北大学流体科学研究所

• OHARA Taku

  東北大学流体科学研究所

Bibliographic Information

Other Title

• 長鎖ポリマー液体の熱伝導率：分子間及び分子内エネルギー伝搬の寄与についての分子動力学的研究
• チョウサ ポリマー エキタイ ノ ネツ デンドウリツ ブンシ カン オヨビ ブンシ ナイ エネルギー デンパン ノ キヨ ニ ツイテ ノ ブンシ ドウリキガクテキ ケンキュウ

Abstract

In this paper, we discuss the molecular mechanisms which determine the thermal conductivity of long chain polymer liquids according to the results observed in molecular dynamics simulations. Linear chain n-alkane, which is a typical polymer molecule, was chosen as our target of studies and non-equilibrium molecular dynamics (NEMD) simulations of bulk liquid n-alkanes under a constant temperature gradient and heat flux inside the simulation system were performed. Saturated liquids of 6 different chain length n-alkanes at the same reduced temperature (0.7T_c) were studied and the contributions of inter- and intramolecular energy transfer, which have been defined as the components of heat flux by the authors' previous theoretical study, were observed. The results show that in n-alkane liquids, the contribution of intramolecular energy transfer to the total heat flux as compared with the contribution of intermolecular energy transfer at the same reduced temperature and saturated density increases as the molecular length increases. It is revealed that in long chain polymer liquids, thermal energy is mainly transferred in the space along firm intramolecular bonds.

Journal

• Netsu Bussei

  Netsu Bussei 24 (3), 134-140, 2014

  JAPAN SOCIETY OF THERMOPHYSICAL PROPERTIES

Keywords

• <i>n</i>-alkanes
• liquid
• thermal conductivity
• intramolecular energy transfer
• molecular dynamics

Details

• CRID: 1390282679643908352
• NII Article ID: 10026562924
• NII Book ID: AN10064743
• DOI: 10.2963/jjtp.24.134
• ISSN: 1881414X
• ISSN: 0913946X
• NDL BIB ID: 10818285
• Web Site: http://id.ndl.go.jp/bib/10818285
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I10818285
• Text Lang: ja
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed