Quantum Chemistry Analysis of Plasma Reaction and its Visualization

• YAMAMOTO Yoshihiro

  Mie University

• KATO Seizo

  Mie University

• MARUYAMA Naoki

  Mie University

Bibliographic Information

Other Title

• A244 プラズマ反応の量子化学的解析と可視化
• プラズマ ハンノウ ノ リョウシ カガクテキ カイセキ ト カシカ

Abstract

In this paper, we carryout quantum chemistry analysis using ab initio molecular orbital method to investigate microscopic mechanisms of plasma-assisted reactions and their process visualization of geometrical configurations from the reactants to products via the transition-state. Attention is paid to two key reactions of CH4+O→CH3+OH and CH3+OH→CH3OH which play important roles to produce methanol in the plasma reactor. This results prevail that the quantum chemistry approach with molecularr level visualization is a powerful and analytical method to understand the plasma reaction processes.

Journal

• Journal of the Visualization Society of Japan

  Journal of the Visualization Society of Japan 17 (Supplement2), 105-106, 1997

  The Visualization Society of Japan

Details

• CRID: 1390282679597068416
• NII Article ID: 10002675097
• NII Article ID: 130003648730
• NII Book ID: AN10374478
• DOI: 10.3154/jvs.17.supplement2_105
• ISSN: 1884037X
• ISSN: 09164731
• NDL BIB ID: 4302639
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I4302639
• Text Lang: ja
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• Abstract License Flag: Disallowed